smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH+]1CCC(NC(=O)CN2CC[NH+](C)CC2)CC1 ZINC000601005494 362126787 /nfs/dbraw/zinc/12/67/87/362126787.db2.gz SXVCRAHLFDXOOG-UHFFFAOYSA-N 2 1 280.416 0.000 20 30 CCEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000164461585 350778712 /nfs/dbraw/zinc/77/87/12/350778712.db2.gz VVYRWPJMXWXJPK-ZNMIVQPWSA-N 2 1 287.363 0.449 20 30 CCEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000164461585 350778716 /nfs/dbraw/zinc/77/87/16/350778716.db2.gz VVYRWPJMXWXJPK-ZNMIVQPWSA-N 2 1 287.363 0.449 20 30 CCEDMP N#Cc1ccc(N2CC[C@H]([NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)C2=O)cc1 ZINC000609144225 363473709 /nfs/dbraw/zinc/47/37/09/363473709.db2.gz CGMUEDCJYBIZOF-DZKIICNBSA-N 2 1 296.374 0.815 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000591770771 359657316 /nfs/dbraw/zinc/65/73/16/359657316.db2.gz YNFAMDYPBOVDHI-HUUCEWRRSA-N 2 1 282.432 0.514 20 30 CCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438845 360307712 /nfs/dbraw/zinc/30/77/12/360307712.db2.gz QABZZKPOKBTUOG-KGLIPLIRSA-N 2 1 296.415 0.625 20 30 CCEDMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438848 360308264 /nfs/dbraw/zinc/30/82/64/360308264.db2.gz QABZZKPOKBTUOG-UONOGXRCSA-N 2 1 296.415 0.625 20 30 CCEDMP Cn1ncc(C#N)c1NCC[N@H+](C)CCC[NH+](C)C ZINC000596425151 360889530 /nfs/dbraw/zinc/88/95/30/360889530.db2.gz NAGLIZUNSBSDKV-UHFFFAOYSA-N 2 1 264.377 0.587 20 30 CCEDMP Cn1ncc(C#N)c1NCC[N@@H+](C)CCC[NH+](C)C ZINC000596425151 360889536 /nfs/dbraw/zinc/88/95/36/360889536.db2.gz NAGLIZUNSBSDKV-UHFFFAOYSA-N 2 1 264.377 0.587 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1=O ZINC000631891362 370740725 /nfs/dbraw/zinc/74/07/25/370740725.db2.gz YCVPTHRGPFOQNJ-MJBXVCDLSA-N 2 1 263.385 0.847 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1=O ZINC000631891362 370740730 /nfs/dbraw/zinc/74/07/30/370740730.db2.gz YCVPTHRGPFOQNJ-MJBXVCDLSA-N 2 1 263.385 0.847 20 30 CCEDMP C=CCC[C@H](O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641212792 376891528 /nfs/dbraw/zinc/89/15/28/376891528.db2.gz QZPMUMKZXDRTGU-HNNXBMFYSA-N 2 1 293.415 0.571 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+](C)CCCN2CC[NH+](C)CC2)C1=O ZINC000337189759 389051808 /nfs/dbraw/zinc/05/18/08/389051808.db2.gz RXWGMECTSRFMNW-HNNXBMFYSA-N 2 1 294.443 0.343 20 30 CCEDMP CC[C@H](C)NC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000303392398 389080816 /nfs/dbraw/zinc/08/08/16/389080816.db2.gz ZFSQAZIIPOIIGI-LBPRGKRZSA-N 2 1 255.410 0.327 20 30 CCEDMP CN1CCC(CNC(N)=[NH2+])([NH+]2CCCCC2)CC1 ZINC000304360885 389082740 /nfs/dbraw/zinc/08/27/40/389082740.db2.gz XRQCGEAYFKYVKO-UHFFFAOYSA-N 2 1 253.394 0.210 20 30 CCEDMP C[NH+]=C(NCCn1cccc1)NC[C@H]1CC[N@@H+](C)C1 ZINC000261864606 389278167 /nfs/dbraw/zinc/27/81/67/389278167.db2.gz ZVFMNGJEKUAOOW-CYBMUJFWSA-N 2 1 263.389 0.605 20 30 CCEDMP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)N1 ZINC000262625000 389290562 /nfs/dbraw/zinc/29/05/62/389290562.db2.gz DGALIJBJYOEYKK-WFASDCNBSA-N 2 1 288.395 0.691 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333166 389984490 /nfs/dbraw/zinc/98/44/90/389984490.db2.gz FDCMFLNQZMPVHJ-STQMWFEESA-N 2 1 251.374 0.610 20 30 CCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CC[NH2+]CC2(C)C)C1=O ZINC000420369345 389993593 /nfs/dbraw/zinc/99/35/93/389993593.db2.gz UZMFFVOJAHCTHI-NEPJUHHUSA-N 2 1 251.374 0.751 20 30 CCEDMP C[N@@H+](CC(=O)NC1(C#N)CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000535758230 390151818 /nfs/dbraw/zinc/15/18/18/390151818.db2.gz CVDWLLUSCDHBLJ-LBPRGKRZSA-N 2 1 296.440 0.528 20 30 CCEDMP N#CCCCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103150382 261278604 /nfs/dbraw/zinc/27/86/04/261278604.db2.gz NCBWEJXWAVUFHK-UHFFFAOYSA-N 2 1 278.400 0.920 20 30 CCEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCCCC#N)CC1 ZINC000162499424 262332157 /nfs/dbraw/zinc/33/21/57/262332157.db2.gz JWCASZOZSZJBSF-AWEZNQCLSA-N 2 1 278.400 0.919 20 30 CCEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCC#N)CC1 ZINC000162499424 262332159 /nfs/dbraw/zinc/33/21/59/262332159.db2.gz JWCASZOZSZJBSF-AWEZNQCLSA-N 2 1 278.400 0.919 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnccc1OC ZINC000292233334 263129795 /nfs/dbraw/zinc/12/97/95/263129795.db2.gz BFHKXCWUPLIWPT-CYBMUJFWSA-N 2 1 291.399 0.979 20 30 CCEDMP Cc1[nH+]ccn1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000297807420 263209743 /nfs/dbraw/zinc/20/97/43/263209743.db2.gz MXWMZAWGURHKPJ-UHFFFAOYSA-N 2 1 277.372 0.886 20 30 CCEDMP C#CCNC(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)=[NH+]C ZINC000262506617 330018493 /nfs/dbraw/zinc/01/84/93/330018493.db2.gz AEERSMFGXQWUOD-CYBMUJFWSA-N 2 1 266.389 0.141 20 30 CCEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])NCCc1cccs1 ZINC000262547896 330020746 /nfs/dbraw/zinc/02/07/46/330020746.db2.gz WIJFAOJQKRTLKU-LBPRGKRZSA-N 2 1 295.456 0.441 20 30 CCEDMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424157120 330304700 /nfs/dbraw/zinc/30/47/00/330304700.db2.gz PGMFLIZHMJUVFX-RYUDHWBXSA-N 2 1 252.362 0.608 20 30 CCEDMP C=CC[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000121239346 330398346 /nfs/dbraw/zinc/39/83/46/330398346.db2.gz LEZDFKYBYAKRGC-UHFFFAOYSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000121239346 330398347 /nfs/dbraw/zinc/39/83/47/330398347.db2.gz LEZDFKYBYAKRGC-UHFFFAOYSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000491464514 332216981 /nfs/dbraw/zinc/21/69/81/332216981.db2.gz RKEJFDLONBPNRR-CYBMUJFWSA-N 2 1 266.389 0.335 20 30 CCEDMP C#C[C@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)C(C)C ZINC000491542535 332233276 /nfs/dbraw/zinc/23/32/76/332233276.db2.gz ARRCCNWRWLBTKC-ZDUSSCGKSA-N 2 1 266.389 0.480 20 30 CCEDMP C#CCNC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000491544422 332234221 /nfs/dbraw/zinc/23/42/21/332234221.db2.gz LHGXCRYITRFJPT-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000491544422 332234223 /nfs/dbraw/zinc/23/42/23/332234223.db2.gz LHGXCRYITRFJPT-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000491782322 332346314 /nfs/dbraw/zinc/34/63/14/332346314.db2.gz OZBBKGSBVHIPGN-SNVBAGLBSA-N 2 1 276.331 0.223 20 30 CCEDMP COCC#CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000678720218 545396889 /nfs/dbraw/zinc/39/68/89/545396889.db2.gz STGDOLAMIDEMOX-UHFFFAOYSA-N 2 1 267.417 0.594 20 30 CCEDMP COCC#CC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000678720218 545396890 /nfs/dbraw/zinc/39/68/90/545396890.db2.gz STGDOLAMIDEMOX-UHFFFAOYSA-N 2 1 267.417 0.594 20 30 CCEDMP CCC#C[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000679422460 545408968 /nfs/dbraw/zinc/40/89/68/545408968.db2.gz YRTQHFRHERBBFL-OAHLLOKOSA-N 2 1 280.412 0.947 20 30 CCEDMP OC[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1CO ZINC000792863475 581274449 /nfs/dbraw/zinc/27/44/49/581274449.db2.gz WKXSGUAGAQPGQP-HOTGVXAUSA-N 2 1 280.412 0.683 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000787304526 581466870 /nfs/dbraw/zinc/46/68/70/581466870.db2.gz OUWIUQFKGSDEHA-LSDHHAIUSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000787304526 581466872 /nfs/dbraw/zinc/46/68/72/581466872.db2.gz OUWIUQFKGSDEHA-LSDHHAIUSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000771658025 581817563 /nfs/dbraw/zinc/81/75/63/581817563.db2.gz DAPXVEALPMWJKT-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000771658025 581817567 /nfs/dbraw/zinc/81/75/67/581817567.db2.gz DAPXVEALPMWJKT-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)CC ZINC000732306470 581818642 /nfs/dbraw/zinc/81/86/42/581818642.db2.gz VXPHUAVGNUCLTN-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)CC ZINC000732306470 581818644 /nfs/dbraw/zinc/81/86/44/581818644.db2.gz VXPHUAVGNUCLTN-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000764608852 582058129 /nfs/dbraw/zinc/05/81/29/582058129.db2.gz QKBLUKLGCYDQRD-NWDGAFQWSA-N 2 1 251.374 0.846 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944919025 613017440 /nfs/dbraw/zinc/01/74/40/613017440.db2.gz MEDNIRPXSDMPPP-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000972330413 613090011 /nfs/dbraw/zinc/09/00/11/613090011.db2.gz GABLHANPAWIDIS-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000972330413 613090012 /nfs/dbraw/zinc/09/00/12/613090012.db2.gz GABLHANPAWIDIS-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000972330413 613090013 /nfs/dbraw/zinc/09/00/13/613090013.db2.gz GABLHANPAWIDIS-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000968904014 612963776 /nfs/dbraw/zinc/96/37/76/612963776.db2.gz GCRSVAWBGWMDPS-LSDHHAIUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCOCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000851763129 612983383 /nfs/dbraw/zinc/98/33/83/612983383.db2.gz JZSHIHVUXHEFLU-MRXNPFEDSA-N 2 1 279.428 0.738 20 30 CCEDMP C#CCOCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000851763129 612983384 /nfs/dbraw/zinc/98/33/84/612983384.db2.gz JZSHIHVUXHEFLU-MRXNPFEDSA-N 2 1 279.428 0.738 20 30 CCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969699994 612993894 /nfs/dbraw/zinc/99/38/94/612993894.db2.gz MLNDXRXHECNIBV-UMVBOHGHSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549811 613022704 /nfs/dbraw/zinc/02/27/04/613022704.db2.gz YKQKVOCUAKPWCG-GJZGRUSLSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000961596909 613044260 /nfs/dbraw/zinc/04/42/60/613044260.db2.gz LBHOJMPEBHAGQT-RFBLXINOSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000961596909 613044261 /nfs/dbraw/zinc/04/42/61/613044261.db2.gz LBHOJMPEBHAGQT-RFBLXINOSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000961596909 613044263 /nfs/dbraw/zinc/04/42/63/613044263.db2.gz LBHOJMPEBHAGQT-RFBLXINOSA-N 2 1 289.423 0.786 20 30 CCEDMP C#C[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000820086831 613081736 /nfs/dbraw/zinc/08/17/36/613081736.db2.gz LWINTYBWHBGNPK-OLZOCXBDSA-N 2 1 268.405 0.579 20 30 CCEDMP C#C[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000820086831 613081738 /nfs/dbraw/zinc/08/17/38/613081738.db2.gz LWINTYBWHBGNPK-OLZOCXBDSA-N 2 1 268.405 0.579 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971793692 613091688 /nfs/dbraw/zinc/09/16/88/613091688.db2.gz FOKODKOOYFNMKI-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000971793692 613091689 /nfs/dbraw/zinc/09/16/89/613091689.db2.gz FOKODKOOYFNMKI-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000971793692 613091691 /nfs/dbraw/zinc/09/16/91/613091691.db2.gz FOKODKOOYFNMKI-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000914392094 613134407 /nfs/dbraw/zinc/13/44/07/613134407.db2.gz SKFNMFKDCHGIKS-AWEZNQCLSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000928653035 613135766 /nfs/dbraw/zinc/13/57/66/613135766.db2.gz WJDIIBNTQXTBAK-HNNXBMFYSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CC=CCC2)C1 ZINC000890364954 613184857 /nfs/dbraw/zinc/18/48/57/613184857.db2.gz MFBVFDAIQDXJFW-HNNXBMFYSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC000890364954 613184858 /nfs/dbraw/zinc/18/48/58/613184858.db2.gz MFBVFDAIQDXJFW-HNNXBMFYSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CC=CCC2)C1 ZINC000890364954 613184859 /nfs/dbraw/zinc/18/48/59/613184859.db2.gz MFBVFDAIQDXJFW-HNNXBMFYSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CC=CCC2)C1 ZINC000890364954 613184860 /nfs/dbraw/zinc/18/48/60/613184860.db2.gz MFBVFDAIQDXJFW-HNNXBMFYSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000884204361 613186331 /nfs/dbraw/zinc/18/63/31/613186331.db2.gz UHVXXINEHBJNNS-CABCVRRESA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000884204361 613186332 /nfs/dbraw/zinc/18/63/32/613186332.db2.gz UHVXXINEHBJNNS-CABCVRRESA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000884204361 613186333 /nfs/dbraw/zinc/18/63/33/613186333.db2.gz UHVXXINEHBJNNS-CABCVRRESA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000884204361 613186334 /nfs/dbraw/zinc/18/63/34/613186334.db2.gz UHVXXINEHBJNNS-CABCVRRESA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000854654240 613195872 /nfs/dbraw/zinc/19/58/72/613195872.db2.gz KGHGVKLSGXIGPT-MCIONIFRSA-N 2 1 263.385 0.635 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000854654240 613195874 /nfs/dbraw/zinc/19/58/74/613195874.db2.gz KGHGVKLSGXIGPT-MCIONIFRSA-N 2 1 263.385 0.635 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913273368 613198013 /nfs/dbraw/zinc/19/80/13/613198013.db2.gz DXTPRYMMWXTPII-BHYGNILZSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913273368 613198015 /nfs/dbraw/zinc/19/80/15/613198015.db2.gz DXTPRYMMWXTPII-BHYGNILZSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913273368 613198017 /nfs/dbraw/zinc/19/80/17/613198017.db2.gz DXTPRYMMWXTPII-BHYGNILZSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913273368 613198018 /nfs/dbraw/zinc/19/80/18/613198018.db2.gz DXTPRYMMWXTPII-BHYGNILZSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000732061981 613200082 /nfs/dbraw/zinc/20/00/82/613200082.db2.gz NCEZUYYVDITBMG-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000732061981 613200084 /nfs/dbraw/zinc/20/00/84/613200084.db2.gz NCEZUYYVDITBMG-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC)C1 ZINC000732061981 613200085 /nfs/dbraw/zinc/20/00/85/613200085.db2.gz NCEZUYYVDITBMG-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC)C1 ZINC000732061981 613200086 /nfs/dbraw/zinc/20/00/86/613200086.db2.gz NCEZUYYVDITBMG-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944965655 613228331 /nfs/dbraw/zinc/22/83/31/613228331.db2.gz TWTWOXUCOBKXBO-GXTWGEPZSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944965655 613228333 /nfs/dbraw/zinc/22/83/33/613228333.db2.gz TWTWOXUCOBKXBO-GXTWGEPZSA-N 2 1 274.368 0.651 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000980447046 613284715 /nfs/dbraw/zinc/28/47/15/613284715.db2.gz CQBYAJNMOHNLIG-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000980447046 613284716 /nfs/dbraw/zinc/28/47/16/613284716.db2.gz CQBYAJNMOHNLIG-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000980447046 613284718 /nfs/dbraw/zinc/28/47/18/613284718.db2.gz CQBYAJNMOHNLIG-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000980447046 613284720 /nfs/dbraw/zinc/28/47/20/613284720.db2.gz CQBYAJNMOHNLIG-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905098768 613304828 /nfs/dbraw/zinc/30/48/28/613304828.db2.gz WWCHBTZGXICLEL-CVEARBPZSA-N 2 1 298.427 0.519 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000960264765 613315790 /nfs/dbraw/zinc/31/57/90/613315790.db2.gz IQHZFQVQKUPZCX-WCVJEAGWSA-N 2 1 289.423 0.644 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000960264765 613315791 /nfs/dbraw/zinc/31/57/91/613315791.db2.gz IQHZFQVQKUPZCX-WCVJEAGWSA-N 2 1 289.423 0.644 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000960264765 613315793 /nfs/dbraw/zinc/31/57/93/613315793.db2.gz IQHZFQVQKUPZCX-WCVJEAGWSA-N 2 1 289.423 0.644 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285151 613324400 /nfs/dbraw/zinc/32/44/00/613324400.db2.gz HGJONHFUYINYPC-UHFFFAOYSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931285151 613324402 /nfs/dbraw/zinc/32/44/02/613324402.db2.gz HGJONHFUYINYPC-UHFFFAOYSA-N 2 1 293.411 0.313 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977950538 613343631 /nfs/dbraw/zinc/34/36/31/613343631.db2.gz FHDMERMPFUPEQL-XQLPTFJDSA-N 2 1 293.411 0.187 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977950538 613343632 /nfs/dbraw/zinc/34/36/32/613343632.db2.gz FHDMERMPFUPEQL-XQLPTFJDSA-N 2 1 293.411 0.187 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977950538 613343633 /nfs/dbraw/zinc/34/36/33/613343633.db2.gz FHDMERMPFUPEQL-XQLPTFJDSA-N 2 1 293.411 0.187 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977950538 613343634 /nfs/dbraw/zinc/34/36/34/613343634.db2.gz FHDMERMPFUPEQL-XQLPTFJDSA-N 2 1 293.411 0.187 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000854568854 613365862 /nfs/dbraw/zinc/36/58/62/613365862.db2.gz FLYAWPCCQUNGRE-AWEZNQCLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887927753 613366270 /nfs/dbraw/zinc/36/62/70/613366270.db2.gz HHKDXOXXECFOLN-GXTWGEPZSA-N 2 1 251.374 0.514 20 30 CCEDMP C=CCC1(O)CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000886776872 613459921 /nfs/dbraw/zinc/45/99/21/613459921.db2.gz RSNIINMFXZJVLA-UHFFFAOYSA-N 2 1 295.427 0.554 20 30 CCEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970876060 613536146 /nfs/dbraw/zinc/53/61/46/613536146.db2.gz BTGXIVCIYXPGLJ-QWHCGFSZSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283162 613591004 /nfs/dbraw/zinc/59/10/04/613591004.db2.gz SJUWPSSFGMTJSX-GJZGRUSLSA-N 2 1 295.427 0.457 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944169377 613595892 /nfs/dbraw/zinc/59/58/92/613595892.db2.gz OQVSRZJLEWLVGE-CABCVRRESA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969958688 613663737 /nfs/dbraw/zinc/66/37/37/613663737.db2.gz NKFBYEGTUGGSCF-YRGRVCCFSA-N 2 1 281.400 0.328 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969958688 613663740 /nfs/dbraw/zinc/66/37/40/613663740.db2.gz NKFBYEGTUGGSCF-YRGRVCCFSA-N 2 1 281.400 0.328 20 30 CCEDMP C=CCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510243 613846040 /nfs/dbraw/zinc/84/60/40/613846040.db2.gz FKFSTTIYUMLFAC-GASCZTMLSA-N 2 1 292.427 0.189 20 30 CCEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801459 614327162 /nfs/dbraw/zinc/32/71/62/614327162.db2.gz CWWRLEBIDVVOPD-QWRGUYRKSA-N 2 1 261.329 0.234 20 30 CCEDMP CC(C)[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852858208 614356100 /nfs/dbraw/zinc/35/61/00/614356100.db2.gz UKSZYJXZKIDDHQ-UHFFFAOYSA-N 2 1 263.385 0.542 20 30 CCEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])N[C@@H](C)COC)CC1 ZINC000104174733 615158924 /nfs/dbraw/zinc/15/89/24/615158924.db2.gz LNQYLPSHVWFKBL-KBPBESRZSA-N 2 1 299.463 0.199 20 30 CCEDMP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876734629 616190260 /nfs/dbraw/zinc/19/02/60/616190260.db2.gz VLZUXYRCFAKLBU-ZBFHGGJFSA-N 2 1 298.390 0.955 20 30 CCEDMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876734629 616190261 /nfs/dbraw/zinc/19/02/61/616190261.db2.gz VLZUXYRCFAKLBU-ZBFHGGJFSA-N 2 1 298.390 0.955 20 30 CCEDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(CC#N)CC1 ZINC000924998655 616362196 /nfs/dbraw/zinc/36/21/96/616362196.db2.gz FGNRFPHETLAORC-NNQSOWQGSA-N 2 1 262.401 0.904 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001022710610 622681693 /nfs/dbraw/zinc/68/16/93/622681693.db2.gz LLYWOVHPYDYPPE-RWMBFGLXSA-N 2 1 251.374 0.894 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001022714618 622689135 /nfs/dbraw/zinc/68/91/35/622689135.db2.gz XQZDOULASUCENQ-MCIONIFRSA-N 2 1 286.379 0.624 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023083822 622901377 /nfs/dbraw/zinc/90/13/77/622901377.db2.gz AKIGWUKIJXZKHT-UPJWGTAASA-N 2 1 251.374 0.751 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372155 623016929 /nfs/dbraw/zinc/01/69/29/623016929.db2.gz OQORUFAASRPORP-GOEBONIOSA-N 2 1 289.423 0.790 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001026894000 625653939 /nfs/dbraw/zinc/65/39/39/625653939.db2.gz SZMVKCQQUBCONG-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001026894000 625653942 /nfs/dbraw/zinc/65/39/42/625653942.db2.gz SZMVKCQQUBCONG-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781602 623882421 /nfs/dbraw/zinc/88/24/21/623882421.db2.gz KWNWATZKSAMYNO-ZVDSWSACSA-N 2 1 287.407 0.540 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781602 623882428 /nfs/dbraw/zinc/88/24/28/623882428.db2.gz KWNWATZKSAMYNO-ZVDSWSACSA-N 2 1 287.407 0.540 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781602 623882430 /nfs/dbraw/zinc/88/24/30/623882430.db2.gz KWNWATZKSAMYNO-ZVDSWSACSA-N 2 1 287.407 0.540 20 30 CCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021047883 624651208 /nfs/dbraw/zinc/65/12/08/624651208.db2.gz QSAGDCIKAYMUKO-IJLUTSLNSA-N 2 1 271.792 0.927 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001009719975 625914685 /nfs/dbraw/zinc/91/46/85/625914685.db2.gz ZSBMGEHBZYGMIR-CYBMUJFWSA-N 2 1 260.341 0.487 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001009719975 625914704 /nfs/dbraw/zinc/91/47/04/625914704.db2.gz ZSBMGEHBZYGMIR-CYBMUJFWSA-N 2 1 260.341 0.487 20 30 CCEDMP CCn1cnnc1CNC(N[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000083166957 630973922 /nfs/dbraw/zinc/97/39/22/630973922.db2.gz HMTNBSHHPOFFLI-NSHDSACASA-N 2 1 291.403 0.200 20 30 CCEDMP CCn1cnnc1CNC(N[C@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000083166957 630973927 /nfs/dbraw/zinc/97/39/27/630973927.db2.gz HMTNBSHHPOFFLI-NSHDSACASA-N 2 1 291.403 0.200 20 30 CCEDMP C#CC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000985789538 632643066 /nfs/dbraw/zinc/64/30/66/632643066.db2.gz JKPKRSNJHQLXEP-UHFFFAOYSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000985789538 632643071 /nfs/dbraw/zinc/64/30/71/632643071.db2.gz JKPKRSNJHQLXEP-UHFFFAOYSA-N 2 1 274.368 0.748 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010369898 650207897 /nfs/dbraw/zinc/20/78/97/650207897.db2.gz PPVAWGNGXDORQO-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010369898 650207899 /nfs/dbraw/zinc/20/78/99/650207899.db2.gz PPVAWGNGXDORQO-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010369898 650207901 /nfs/dbraw/zinc/20/79/01/650207901.db2.gz PPVAWGNGXDORQO-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCF)CC1 ZINC000996683162 638828506 /nfs/dbraw/zinc/82/85/06/638828506.db2.gz ASZKHICANZPSJG-AWEZNQCLSA-N 2 1 281.375 0.634 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCF)CC1 ZINC000996683162 638828507 /nfs/dbraw/zinc/82/85/07/638828507.db2.gz ASZKHICANZPSJG-AWEZNQCLSA-N 2 1 281.375 0.634 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000997003588 638848194 /nfs/dbraw/zinc/84/81/94/638848194.db2.gz CJPSPWGEMJNTPQ-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001000519306 639109431 /nfs/dbraw/zinc/10/94/31/639109431.db2.gz UEUJEGIAEQQTBK-OAHLLOKOSA-N 2 1 275.396 0.852 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001000519306 639109436 /nfs/dbraw/zinc/10/94/36/639109436.db2.gz UEUJEGIAEQQTBK-OAHLLOKOSA-N 2 1 275.396 0.852 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001000519306 639109442 /nfs/dbraw/zinc/10/94/42/639109442.db2.gz UEUJEGIAEQQTBK-OAHLLOKOSA-N 2 1 275.396 0.852 20 30 CCEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001000546892 639118033 /nfs/dbraw/zinc/11/80/33/639118033.db2.gz KJEYKLDUDAEHFD-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001000546892 639118036 /nfs/dbraw/zinc/11/80/36/639118036.db2.gz KJEYKLDUDAEHFD-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000546892 639118039 /nfs/dbraw/zinc/11/80/39/639118039.db2.gz KJEYKLDUDAEHFD-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000546892 639118045 /nfs/dbraw/zinc/11/80/45/639118045.db2.gz KJEYKLDUDAEHFD-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001833250 639343403 /nfs/dbraw/zinc/34/34/03/639343403.db2.gz JYABQUOIFMCBMF-ZFWWWQNUSA-N 2 1 277.412 0.646 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016252101 650705744 /nfs/dbraw/zinc/70/57/44/650705744.db2.gz YWKKDZGYLDGMSD-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016252101 650705745 /nfs/dbraw/zinc/70/57/45/650705745.db2.gz YWKKDZGYLDGMSD-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016252101 650705746 /nfs/dbraw/zinc/70/57/46/650705746.db2.gz YWKKDZGYLDGMSD-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016968548 650775161 /nfs/dbraw/zinc/77/51/61/650775161.db2.gz GJMSVZQDUPRQTJ-CABCVRRESA-N 2 1 289.423 0.932 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000848424726 643635721 /nfs/dbraw/zinc/63/57/21/643635721.db2.gz GPQUPXBMIVPKRE-UWVGGRQHSA-N 2 1 274.315 0.463 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000852859700 644027813 /nfs/dbraw/zinc/02/78/13/644027813.db2.gz XXNXNRGWPAHNOQ-GJZGRUSLSA-N 2 1 275.396 0.732 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000852862972 644029927 /nfs/dbraw/zinc/02/99/27/644029927.db2.gz NZJAHFCDEDOADU-CYBMUJFWSA-N 2 1 261.369 0.342 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](C2CCC2)CC1 ZINC000852868333 644032395 /nfs/dbraw/zinc/03/23/95/644032395.db2.gz QPXPIFTWYIARBC-UHFFFAOYSA-N 2 1 275.396 0.686 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001019652829 650995890 /nfs/dbraw/zinc/99/58/90/650995890.db2.gz XRQZTBYCEPMKAY-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001020149844 651044728 /nfs/dbraw/zinc/04/47/28/651044728.db2.gz FDTBHMGSMHAJCE-TUVASFSCSA-N 2 1 275.396 0.731 20 30 CCEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006399446 647903479 /nfs/dbraw/zinc/90/34/79/647903479.db2.gz KQUHYGLZEZHIIX-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C[NH+]=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC(C)(C)C ZINC000303466693 649821423 /nfs/dbraw/zinc/82/14/23/649821423.db2.gz FKWNQNPDVMDVGT-NWDGAFQWSA-N 2 1 268.405 0.813 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)C(C)(C)C ZINC000303969198 649827204 /nfs/dbraw/zinc/82/72/04/649827204.db2.gz BOAAURKXHRORGH-LBPRGKRZSA-N 2 1 297.447 0.537 20 30 CCEDMP C#CC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001098540336 790913436 /nfs/dbraw/zinc/91/34/36/790913436.db2.gz DHFVLVLVFWELDY-UHFFFAOYSA-N 2 1 295.427 0.247 20 30 CCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001098540336 790913442 /nfs/dbraw/zinc/91/34/42/790913442.db2.gz DHFVLVLVFWELDY-UHFFFAOYSA-N 2 1 295.427 0.247 20 30 CCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001098540336 790913448 /nfs/dbraw/zinc/91/34/48/790913448.db2.gz DHFVLVLVFWELDY-UHFFFAOYSA-N 2 1 295.427 0.247 20 30 CCEDMP C#CCC[NH2+]CCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001266754980 791214971 /nfs/dbraw/zinc/21/49/71/791214971.db2.gz ZLNXJDPNELVXOY-UHFFFAOYSA-N 2 1 278.356 0.421 20 30 CCEDMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001266992444 791426508 /nfs/dbraw/zinc/42/65/08/791426508.db2.gz BLRBNSFKUXGYCK-STQMWFEESA-N 2 1 253.390 0.999 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246021638 807119770 /nfs/dbraw/zinc/11/97/70/807119770.db2.gz LCAYFVNSDDFGQY-HZSPNIEDSA-N 2 1 256.390 0.857 20 30 CCEDMP Cn1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1C#N ZINC001234980584 806324093 /nfs/dbraw/zinc/32/40/93/806324093.db2.gz GZMORYWEMULPBW-CQSZACIVSA-N 2 1 259.357 0.034 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001277915553 806342376 /nfs/dbraw/zinc/34/23/76/806342376.db2.gz AEGKTIGJUVKHBO-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235354672 806412038 /nfs/dbraw/zinc/41/20/38/806412038.db2.gz MXLNCRFKRIFZSP-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235354672 806412043 /nfs/dbraw/zinc/41/20/43/806412043.db2.gz MXLNCRFKRIFZSP-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001277968192 806504390 /nfs/dbraw/zinc/50/43/90/806504390.db2.gz CPNYXKNIVUTWKQ-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CCCCCCN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871709 806512036 /nfs/dbraw/zinc/51/20/36/806512036.db2.gz WAJZEVORJBXFJG-UHFFFAOYSA-N 2 1 268.449 0.817 20 30 CCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001120574244 798871853 /nfs/dbraw/zinc/87/18/53/798871853.db2.gz LOVYZSUMTZJWKX-KBPBESRZSA-N 2 1 268.405 0.124 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001120623373 798890726 /nfs/dbraw/zinc/89/07/26/798890726.db2.gz HDKZWGOZBIQCEG-ZFWWWQNUSA-N 2 1 278.400 0.383 20 30 CCEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177934 799161900 /nfs/dbraw/zinc/16/19/00/799161900.db2.gz OBMPPUPTPVUUKQ-HOUHCIJLSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001278164264 806734732 /nfs/dbraw/zinc/73/47/32/806734732.db2.gz BSPNFYZEANVZML-CYBMUJFWSA-N 2 1 292.383 0.097 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001202947244 799822342 /nfs/dbraw/zinc/82/23/42/799822342.db2.gz LNIDOFUKCYOAAJ-UHFFFAOYSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001149850049 800302567 /nfs/dbraw/zinc/30/25/67/800302567.db2.gz YGKMQYLDIDTCJV-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149850049 800302573 /nfs/dbraw/zinc/30/25/73/800302573.db2.gz YGKMQYLDIDTCJV-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149850049 800302580 /nfs/dbraw/zinc/30/25/80/800302580.db2.gz YGKMQYLDIDTCJV-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149850049 800302584 /nfs/dbraw/zinc/30/25/84/800302584.db2.gz YGKMQYLDIDTCJV-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150195363 800323620 /nfs/dbraw/zinc/32/36/20/800323620.db2.gz YTPBXBQBHPEXER-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150796566 800368554 /nfs/dbraw/zinc/36/85/54/800368554.db2.gz VUQHTIUTUIEHTN-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150796566 800368559 /nfs/dbraw/zinc/36/85/59/800368559.db2.gz VUQHTIUTUIEHTN-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150796566 800368563 /nfs/dbraw/zinc/36/85/63/800368563.db2.gz VUQHTIUTUIEHTN-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824671 800673149 /nfs/dbraw/zinc/67/31/49/800673149.db2.gz VVXGJEGKSRTHBA-TZMCWYRMSA-N 2 1 265.401 0.786 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158379709 801628414 /nfs/dbraw/zinc/62/84/14/801628414.db2.gz GFEKFQVKCIULJV-ZIAGYGMSSA-N 2 1 283.416 0.625 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159289833 801785377 /nfs/dbraw/zinc/78/53/77/801785377.db2.gz BKVAYBXDGPDYCQ-AWEZNQCLSA-N 2 1 261.369 0.281 20 30 CCEDMP COc1cc(C#N)nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c1 ZINC001160512709 801955896 /nfs/dbraw/zinc/95/58/96/801955896.db2.gz DUXPRSJUAJJMQH-HNNXBMFYSA-N 2 1 287.367 0.797 20 30 CCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001161856653 802232400 /nfs/dbraw/zinc/23/24/00/802232400.db2.gz CFWMAIJSIKERRW-HNNXBMFYSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161856653 802232405 /nfs/dbraw/zinc/23/24/05/802232405.db2.gz CFWMAIJSIKERRW-HNNXBMFYSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161856653 802232409 /nfs/dbraw/zinc/23/24/09/802232409.db2.gz CFWMAIJSIKERRW-HNNXBMFYSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166694074 802940794 /nfs/dbraw/zinc/94/07/94/802940794.db2.gz VDIMBUQRLBRWEV-QWHCGFSZSA-N 2 1 251.374 0.303 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)Cc2cnc[nH]2)C12CCC2 ZINC001203444968 803027880 /nfs/dbraw/zinc/02/78/80/803027880.db2.gz WRWTYHSBVHVONJ-KBPBESRZSA-N 2 1 286.379 0.993 20 30 CCEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203699315 803042707 /nfs/dbraw/zinc/04/27/07/803042707.db2.gz IEIKHCIYPAXDBF-AWEZNQCLSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674060 803657020 /nfs/dbraw/zinc/65/70/20/803657020.db2.gz MNKIKPDPNQAFFJ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927349 803706393 /nfs/dbraw/zinc/70/63/93/803706393.db2.gz DTXHBXYQRBKMCT-CHWSQXEVSA-N 2 1 269.389 0.328 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927349 803706396 /nfs/dbraw/zinc/70/63/96/803706396.db2.gz DTXHBXYQRBKMCT-CHWSQXEVSA-N 2 1 269.389 0.328 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927349 803706398 /nfs/dbraw/zinc/70/63/98/803706398.db2.gz DTXHBXYQRBKMCT-CHWSQXEVSA-N 2 1 269.389 0.328 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927349 803706401 /nfs/dbraw/zinc/70/64/01/803706401.db2.gz DTXHBXYQRBKMCT-CHWSQXEVSA-N 2 1 269.389 0.328 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389146 803737540 /nfs/dbraw/zinc/73/75/40/803737540.db2.gz QOHHCJLJXGFWBE-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389146 803737544 /nfs/dbraw/zinc/73/75/44/803737544.db2.gz QOHHCJLJXGFWBE-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000402195815 803815097 /nfs/dbraw/zinc/81/50/97/803815097.db2.gz FUNUVJJDOGYTEN-CQSZACIVSA-N 2 1 275.352 0.721 20 30 CCEDMP C[N@@H+](CCC[NH3+])C[C@@H](O)COc1ccc(C#N)cc1 ZINC000402210917 803817430 /nfs/dbraw/zinc/81/74/30/803817430.db2.gz JFCOQMYWLSRPLV-CYBMUJFWSA-N 2 1 263.341 0.579 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215541252 803819565 /nfs/dbraw/zinc/81/95/65/803819565.db2.gz WNLYVGVANUBWON-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216851952 803860382 /nfs/dbraw/zinc/86/03/82/803860382.db2.gz LWGWPOLGZCHVPZ-HUUCEWRRSA-N 2 1 297.443 0.966 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218601002 804030517 /nfs/dbraw/zinc/03/05/17/804030517.db2.gz WYAAKGVXQFDIPU-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724896 804096166 /nfs/dbraw/zinc/09/61/66/804096166.db2.gz OPXZAKNXURZJAO-HNNXBMFYSA-N 2 1 287.367 0.298 20 30 CCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CCC)[C@H]2C1 ZINC001219006494 804182434 /nfs/dbraw/zinc/18/24/34/804182434.db2.gz LFNIUEAYRFNJHG-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CCC)[C@H]2C1 ZINC001219006494 804182438 /nfs/dbraw/zinc/18/24/38/804182438.db2.gz LFNIUEAYRFNJHG-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCC)[C@H]2C1 ZINC001219006494 804182442 /nfs/dbraw/zinc/18/24/42/804182442.db2.gz LFNIUEAYRFNJHG-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCC)[C@H]2C1 ZINC001219006494 804182448 /nfs/dbraw/zinc/18/24/48/804182448.db2.gz LFNIUEAYRFNJHG-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230988 804544719 /nfs/dbraw/zinc/54/47/19/804544719.db2.gz WINUDRBIVIPVNS-KGLIPLIRSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H](N)C(=O)OC ZINC001220868125 804683903 /nfs/dbraw/zinc/68/39/03/804683903.db2.gz BWFTVVBFCDRQMM-RYUDHWBXSA-N 2 1 283.372 0.034 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]([NH3+])C(=O)OC ZINC001220868125 804683918 /nfs/dbraw/zinc/68/39/18/804683918.db2.gz BWFTVVBFCDRQMM-RYUDHWBXSA-N 2 1 283.372 0.034 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220868691 804685942 /nfs/dbraw/zinc/68/59/42/804685942.db2.gz PBBCWWWQLADKRT-AVGNSLFASA-N 2 1 269.364 0.701 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791197 804845571 /nfs/dbraw/zinc/84/55/71/804845571.db2.gz AKTRCNKGLMGMNK-HUUCEWRRSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791197 804845579 /nfs/dbraw/zinc/84/55/79/804845579.db2.gz AKTRCNKGLMGMNK-HUUCEWRRSA-N 2 1 293.411 0.121 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221920764 804854427 /nfs/dbraw/zinc/85/44/27/804854427.db2.gz VNCKIBYDKUVCOF-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221920764 804854432 /nfs/dbraw/zinc/85/44/32/804854432.db2.gz VNCKIBYDKUVCOF-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221920764 804854438 /nfs/dbraw/zinc/85/44/38/804854438.db2.gz VNCKIBYDKUVCOF-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222053691 804860720 /nfs/dbraw/zinc/86/07/20/804860720.db2.gz YGSRDVMIPYARHK-HUUCEWRRSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222053691 804860732 /nfs/dbraw/zinc/86/07/32/804860732.db2.gz YGSRDVMIPYARHK-HUUCEWRRSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222053691 804860734 /nfs/dbraw/zinc/86/07/34/804860734.db2.gz YGSRDVMIPYARHK-HUUCEWRRSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222053691 804860744 /nfs/dbraw/zinc/86/07/44/804860744.db2.gz YGSRDVMIPYARHK-HUUCEWRRSA-N 2 1 277.412 0.883 20 30 CCEDMP C=CC[NH2+]CCN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222669048 804925140 /nfs/dbraw/zinc/92/51/40/804925140.db2.gz RBGOBMYSUQOSLG-CQSZACIVSA-N 2 1 252.406 0.180 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225526012 805138584 /nfs/dbraw/zinc/13/85/84/805138584.db2.gz WFFFOKHNXNRSRD-RBSFLKMASA-N 2 1 295.427 0.910 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225526012 805138591 /nfs/dbraw/zinc/13/85/91/805138591.db2.gz WFFFOKHNXNRSRD-RBSFLKMASA-N 2 1 295.427 0.910 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658123 815051803 /nfs/dbraw/zinc/05/18/03/815051803.db2.gz JTZHGOFQDNMJPV-APIJFGDWSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658123 815051810 /nfs/dbraw/zinc/05/18/10/815051810.db2.gz JTZHGOFQDNMJPV-APIJFGDWSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658123 815051817 /nfs/dbraw/zinc/05/18/17/815051817.db2.gz JTZHGOFQDNMJPV-APIJFGDWSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658123 815051820 /nfs/dbraw/zinc/05/18/20/815051820.db2.gz JTZHGOFQDNMJPV-APIJFGDWSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001277299317 805445809 /nfs/dbraw/zinc/44/58/09/805445809.db2.gz PWGCAVDHQGTOMV-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP C=C[C@@](C)(O)C[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246046760 807131349 /nfs/dbraw/zinc/13/13/49/807131349.db2.gz PATPFJWBWWTUDS-RHBQXOTJSA-N 2 1 294.395 0.254 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001246059681 807137666 /nfs/dbraw/zinc/13/76/66/807137666.db2.gz LSSWLWBHYPDHTK-MGPQQGTHSA-N 2 1 252.358 0.071 20 30 CCEDMP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001278443673 807236368 /nfs/dbraw/zinc/23/63/68/807236368.db2.gz FXKAMODQJOJIFM-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001278443673 807236375 /nfs/dbraw/zinc/23/63/75/807236375.db2.gz FXKAMODQJOJIFM-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOC1CCC([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246577619 807300355 /nfs/dbraw/zinc/30/03/55/807300355.db2.gz BQIKRARSDFZMQW-GFJIZPEISA-N 2 1 254.374 0.752 20 30 CCEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246579360 807300742 /nfs/dbraw/zinc/30/07/42/807300742.db2.gz ISBXIBRVYKYZHW-BYCMXARLSA-N 2 1 259.353 0.741 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001251847633 807718220 /nfs/dbraw/zinc/71/82/20/807718220.db2.gz JQVUUQPIJZNNHC-CQSZACIVSA-N 2 1 254.374 0.413 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001251847633 807718224 /nfs/dbraw/zinc/71/82/24/807718224.db2.gz JQVUUQPIJZNNHC-CQSZACIVSA-N 2 1 254.374 0.413 20 30 CCEDMP C=CCOC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001252472230 807883119 /nfs/dbraw/zinc/88/31/19/807883119.db2.gz QFXSVVVRYMSBAY-HZSPNIEDSA-N 2 1 254.374 0.433 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001252472230 807883125 /nfs/dbraw/zinc/88/31/25/807883125.db2.gz QFXSVVVRYMSBAY-HZSPNIEDSA-N 2 1 254.374 0.433 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001252472230 807883130 /nfs/dbraw/zinc/88/31/30/807883130.db2.gz QFXSVVVRYMSBAY-HZSPNIEDSA-N 2 1 254.374 0.433 20 30 CCEDMP C=CCC[C@H](O)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001252603455 807918944 /nfs/dbraw/zinc/91/89/44/807918944.db2.gz WZUGKBZYQAUOCC-AWEZNQCLSA-N 2 1 255.406 0.493 20 30 CCEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001278728981 808077991 /nfs/dbraw/zinc/07/79/91/808077991.db2.gz YWWPZFDPEMXXKA-AWEZNQCLSA-N 2 1 295.427 0.769 20 30 CCEDMP C=C[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001253576981 808086121 /nfs/dbraw/zinc/08/61/21/808086121.db2.gz JIHRDBKIDKRWLG-RBSFLKMASA-N 2 1 284.400 0.202 20 30 CCEDMP C=C[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001253576981 808086126 /nfs/dbraw/zinc/08/61/26/808086126.db2.gz JIHRDBKIDKRWLG-RBSFLKMASA-N 2 1 284.400 0.202 20 30 CCEDMP C=C[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001253576981 808086134 /nfs/dbraw/zinc/08/61/34/808086134.db2.gz JIHRDBKIDKRWLG-RBSFLKMASA-N 2 1 284.400 0.202 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001278761303 808179427 /nfs/dbraw/zinc/17/94/27/808179427.db2.gz DFUUTTNNPYGMDI-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001278833905 808307007 /nfs/dbraw/zinc/30/70/07/808307007.db2.gz YLNZIPIXPNTXSB-KBPBESRZSA-N 2 1 283.416 0.313 20 30 CCEDMP C=CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001278882653 808424171 /nfs/dbraw/zinc/42/41/71/808424171.db2.gz LDFIUVQNQIBQEU-LSDHHAIUSA-N 2 1 297.443 0.655 20 30 CCEDMP C=CCCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278882653 808424174 /nfs/dbraw/zinc/42/41/74/808424174.db2.gz LDFIUVQNQIBQEU-LSDHHAIUSA-N 2 1 297.443 0.655 20 30 CCEDMP C=CCCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001278882653 808424177 /nfs/dbraw/zinc/42/41/77/808424177.db2.gz LDFIUVQNQIBQEU-LSDHHAIUSA-N 2 1 297.443 0.655 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001076240385 815262198 /nfs/dbraw/zinc/26/21/98/815262198.db2.gz YAGSADLLYPNXPZ-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001076240385 815262205 /nfs/dbraw/zinc/26/22/05/815262205.db2.gz YAGSADLLYPNXPZ-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001076240385 815262209 /nfs/dbraw/zinc/26/22/09/815262209.db2.gz YAGSADLLYPNXPZ-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[NH2+]CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC001263127781 809453759 /nfs/dbraw/zinc/45/37/59/809453759.db2.gz WYVXEHOUGDUOOK-UHFFFAOYSA-N 2 1 278.381 0.771 20 30 CCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001263828054 809581289 /nfs/dbraw/zinc/58/12/89/809581289.db2.gz YYAVZCFVEMOVIF-QLFBSQMISA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001264635818 809667461 /nfs/dbraw/zinc/66/74/61/809667461.db2.gz JBFMCHXGJUWQBO-OAHLLOKOSA-N 2 1 295.427 0.554 20 30 CCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001265257987 809733713 /nfs/dbraw/zinc/73/37/13/809733713.db2.gz VEOZYWGLVSZYLS-CQSZACIVSA-N 2 1 280.416 0.000 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001265290000 809748894 /nfs/dbraw/zinc/74/88/94/809748894.db2.gz HEQUAJRRUSSECS-CQSZACIVSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001265290000 809748896 /nfs/dbraw/zinc/74/88/96/809748896.db2.gz HEQUAJRRUSSECS-CQSZACIVSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265590984 809810815 /nfs/dbraw/zinc/81/08/15/809810815.db2.gz LZACNOWZSUMXKH-GJZGRUSLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265590984 809810818 /nfs/dbraw/zinc/81/08/18/809810818.db2.gz LZACNOWZSUMXKH-GJZGRUSLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265590984 809810823 /nfs/dbraw/zinc/81/08/23/809810823.db2.gz LZACNOWZSUMXKH-GJZGRUSLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266119687 809939155 /nfs/dbraw/zinc/93/91/55/809939155.db2.gz KCADCIHFBLJBJP-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266119687 809939159 /nfs/dbraw/zinc/93/91/59/809939159.db2.gz KCADCIHFBLJBJP-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266119687 809939163 /nfs/dbraw/zinc/93/91/63/809939163.db2.gz KCADCIHFBLJBJP-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266120434 809939419 /nfs/dbraw/zinc/93/94/19/809939419.db2.gz ZCGKAEBWQVMHER-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266120434 809939421 /nfs/dbraw/zinc/93/94/21/809939421.db2.gz ZCGKAEBWQVMHER-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266120434 809939423 /nfs/dbraw/zinc/93/94/23/809939423.db2.gz ZCGKAEBWQVMHER-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C=C1CC[NH2+]C[C@H]1Oc1nc(CC)nc2c1C[NH2+]C2 ZINC001218210788 811467180 /nfs/dbraw/zinc/46/71/80/811467180.db2.gz JIMWYOZJODMMMW-GFCCVEGCSA-N 2 1 260.341 0.939 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267689345 811655305 /nfs/dbraw/zinc/65/53/05/811655305.db2.gz IOUVZLOPQIAQEH-UHFFFAOYSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000385677146 812224508 /nfs/dbraw/zinc/22/45/08/812224508.db2.gz CCWJWYVBJYTZNI-STQMWFEESA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000385677146 812224518 /nfs/dbraw/zinc/22/45/18/812224518.db2.gz CCWJWYVBJYTZNI-STQMWFEESA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075613743 812402773 /nfs/dbraw/zinc/40/27/73/812402773.db2.gz NXCMSUOLKFMUGY-BFHYXJOUSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075613743 812402777 /nfs/dbraw/zinc/40/27/77/812402777.db2.gz NXCMSUOLKFMUGY-BFHYXJOUSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075613743 812402780 /nfs/dbraw/zinc/40/27/80/812402780.db2.gz NXCMSUOLKFMUGY-BFHYXJOUSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075613743 812402784 /nfs/dbraw/zinc/40/27/84/812402784.db2.gz NXCMSUOLKFMUGY-BFHYXJOUSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028262932 812528786 /nfs/dbraw/zinc/52/87/86/812528786.db2.gz GFHROTHNACRHRH-CYBMUJFWSA-N 2 1 261.369 0.296 20 30 CCEDMP CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268451698 812584279 /nfs/dbraw/zinc/58/42/79/812584279.db2.gz OWCUBGZDYVYLCJ-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028316629 812615061 /nfs/dbraw/zinc/61/50/61/812615061.db2.gz SCDVGZWMPMOTLP-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028316629 812615064 /nfs/dbraw/zinc/61/50/64/812615064.db2.gz SCDVGZWMPMOTLP-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028316629 812615069 /nfs/dbraw/zinc/61/50/69/812615069.db2.gz SCDVGZWMPMOTLP-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028444907 812710159 /nfs/dbraw/zinc/71/01/59/812710159.db2.gz IGWWOAZOPDWDIW-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001028444907 812710163 /nfs/dbraw/zinc/71/01/63/812710163.db2.gz IGWWOAZOPDWDIW-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001028444907 812710166 /nfs/dbraw/zinc/71/01/66/812710166.db2.gz IGWWOAZOPDWDIW-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028624303 812987971 /nfs/dbraw/zinc/98/79/71/812987971.db2.gz VZACFKDWQTUQTN-OAHLLOKOSA-N 2 1 289.423 0.934 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001268742900 813056481 /nfs/dbraw/zinc/05/64/81/813056481.db2.gz MKHXPSJHBWZDFN-CYBMUJFWSA-N 2 1 265.401 0.788 20 30 CCEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001269535619 813407276 /nfs/dbraw/zinc/40/72/76/813407276.db2.gz TWIVLTCMEPHUPF-LBPRGKRZSA-N 2 1 251.374 0.753 20 30 CCEDMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001270485979 813780976 /nfs/dbraw/zinc/78/09/76/813780976.db2.gz HWQGNRBVPMWNJX-OLZOCXBDSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075810575 814125173 /nfs/dbraw/zinc/12/51/73/814125173.db2.gz LVRGKWKFJXWKNG-LXTVHRRPSA-N 2 1 275.396 0.493 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075810575 814125179 /nfs/dbraw/zinc/12/51/79/814125179.db2.gz LVRGKWKFJXWKNG-LXTVHRRPSA-N 2 1 275.396 0.493 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075810575 814125189 /nfs/dbraw/zinc/12/51/89/814125189.db2.gz LVRGKWKFJXWKNG-LXTVHRRPSA-N 2 1 275.396 0.493 20 30 CCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001271144525 814206175 /nfs/dbraw/zinc/20/61/75/814206175.db2.gz CKJZGONXTDXPPS-HOCLYGCPSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001271144525 814206183 /nfs/dbraw/zinc/20/61/83/814206183.db2.gz CKJZGONXTDXPPS-HOCLYGCPSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001271144525 814206188 /nfs/dbraw/zinc/20/61/88/814206188.db2.gz CKJZGONXTDXPPS-HOCLYGCPSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001271144523 814206298 /nfs/dbraw/zinc/20/62/98/814206298.db2.gz CKJZGONXTDXPPS-GDBMZVCRSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001271144523 814206301 /nfs/dbraw/zinc/20/63/01/814206301.db2.gz CKJZGONXTDXPPS-GDBMZVCRSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001271144523 814206305 /nfs/dbraw/zinc/20/63/05/814206305.db2.gz CKJZGONXTDXPPS-GDBMZVCRSA-N 2 1 293.411 0.045 20 30 CCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001271160680 814252995 /nfs/dbraw/zinc/25/29/95/814252995.db2.gz XKUPSWJJDVBECD-HIFRSBDPSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001271160680 814253002 /nfs/dbraw/zinc/25/30/02/814253002.db2.gz XKUPSWJJDVBECD-HIFRSBDPSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001271160680 814253005 /nfs/dbraw/zinc/25/30/05/814253005.db2.gz XKUPSWJJDVBECD-HIFRSBDPSA-N 2 1 281.400 0.210 20 30 CCEDMP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001271538599 814472435 /nfs/dbraw/zinc/47/24/35/814472435.db2.gz ACXZKUSTMDORIK-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001271816139 814592748 /nfs/dbraw/zinc/59/27/48/814592748.db2.gz WFQLCMYETDHUIH-KGLIPLIRSA-N 2 1 265.401 0.834 20 30 CCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168146698 814739694 /nfs/dbraw/zinc/73/96/94/814739694.db2.gz IWMXVZFDSDPKIC-CQSZACIVSA-N 2 1 277.412 0.838 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COCC)CC1 ZINC001120496962 816096369 /nfs/dbraw/zinc/09/63/69/816096369.db2.gz OCIVKFMGHFRXBA-AWEZNQCLSA-N 2 1 254.374 0.461 20 30 CCEDMP C=CCCC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168425140 816225211 /nfs/dbraw/zinc/22/52/11/816225211.db2.gz NHNDUELXIVPYKU-UHFFFAOYSA-N 2 1 283.416 0.771 20 30 CCEDMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001272384231 816379040 /nfs/dbraw/zinc/37/90/40/816379040.db2.gz NUBSMQFFTZFRJG-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750153 816983486 /nfs/dbraw/zinc/98/34/86/816983486.db2.gz HWIKRHLKWOCOCS-KGLIPLIRSA-N 2 1 281.400 0.066 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031665821 817230304 /nfs/dbraw/zinc/23/03/04/817230304.db2.gz IOJJDGYLZYADHT-HNNXBMFYSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665821 817230311 /nfs/dbraw/zinc/23/03/11/817230311.db2.gz IOJJDGYLZYADHT-HNNXBMFYSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031921520 817464728 /nfs/dbraw/zinc/46/47/28/817464728.db2.gz RTXPQIANQYGMLG-JSGCOSHPSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001032315123 817846843 /nfs/dbraw/zinc/84/68/43/817846843.db2.gz BBWBZSDZRNRPMQ-IHRRRGAJSA-N 2 1 261.369 0.389 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001032315123 817846850 /nfs/dbraw/zinc/84/68/50/817846850.db2.gz BBWBZSDZRNRPMQ-IHRRRGAJSA-N 2 1 261.369 0.389 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001032315123 817846858 /nfs/dbraw/zinc/84/68/58/817846858.db2.gz BBWBZSDZRNRPMQ-IHRRRGAJSA-N 2 1 261.369 0.389 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001032315123 817846865 /nfs/dbraw/zinc/84/68/65/817846865.db2.gz BBWBZSDZRNRPMQ-IHRRRGAJSA-N 2 1 261.369 0.389 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785812 817868358 /nfs/dbraw/zinc/86/83/58/817868358.db2.gz QSGMUBYDYXRJCB-KGLIPLIRSA-N 2 1 281.400 0.522 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033419322 818759828 /nfs/dbraw/zinc/75/98/28/818759828.db2.gz IGUBAHDFBKBIQT-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033419322 818759831 /nfs/dbraw/zinc/75/98/31/818759831.db2.gz IGUBAHDFBKBIQT-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033419322 818759838 /nfs/dbraw/zinc/75/98/38/818759838.db2.gz IGUBAHDFBKBIQT-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033419322 818759840 /nfs/dbraw/zinc/75/98/40/818759840.db2.gz IGUBAHDFBKBIQT-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034215326 819128221 /nfs/dbraw/zinc/12/82/21/819128221.db2.gz XWVXLGAWCMCHBM-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034215326 819128224 /nfs/dbraw/zinc/12/82/24/819128224.db2.gz XWVXLGAWCMCHBM-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034215326 819128227 /nfs/dbraw/zinc/12/82/27/819128227.db2.gz XWVXLGAWCMCHBM-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034524516 819228310 /nfs/dbraw/zinc/22/83/10/819228310.db2.gz HCMJWFRTHMJSBG-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034524516 819228318 /nfs/dbraw/zinc/22/83/18/819228318.db2.gz HCMJWFRTHMJSBG-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034524516 819228327 /nfs/dbraw/zinc/22/83/27/819228327.db2.gz HCMJWFRTHMJSBG-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001035669532 819606619 /nfs/dbraw/zinc/60/66/19/819606619.db2.gz SFVSKGBSTKDYDX-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001036052558 819678316 /nfs/dbraw/zinc/67/83/16/819678316.db2.gz AYPLOCOXCFYIPH-DZGCQCFKSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001036052567 819678897 /nfs/dbraw/zinc/67/88/97/819678897.db2.gz AYPLOCOXCFYIPH-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001080977191 820661933 /nfs/dbraw/zinc/66/19/33/820661933.db2.gz ZZDWNTZOOWCJPG-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001080977191 820661936 /nfs/dbraw/zinc/66/19/36/820661936.db2.gz ZZDWNTZOOWCJPG-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001080977191 820661940 /nfs/dbraw/zinc/66/19/40/820661940.db2.gz ZZDWNTZOOWCJPG-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001080977191 820661945 /nfs/dbraw/zinc/66/19/45/820661945.db2.gz ZZDWNTZOOWCJPG-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326414 820939457 /nfs/dbraw/zinc/93/94/57/820939457.db2.gz BWMJUCCPDRUNHA-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326414 820939460 /nfs/dbraw/zinc/93/94/60/820939460.db2.gz BWMJUCCPDRUNHA-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326414 820939463 /nfs/dbraw/zinc/93/94/63/820939463.db2.gz BWMJUCCPDRUNHA-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326414 820939467 /nfs/dbraw/zinc/93/94/67/820939467.db2.gz BWMJUCCPDRUNHA-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083085778 821138865 /nfs/dbraw/zinc/13/88/65/821138865.db2.gz LAEXKQCEHAWEND-APIJFGDWSA-N 2 1 293.411 0.424 20 30 CCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083085778 821138872 /nfs/dbraw/zinc/13/88/72/821138872.db2.gz LAEXKQCEHAWEND-APIJFGDWSA-N 2 1 293.411 0.424 20 30 CCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083085778 821138877 /nfs/dbraw/zinc/13/88/77/821138877.db2.gz LAEXKQCEHAWEND-APIJFGDWSA-N 2 1 293.411 0.424 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083085778 821138884 /nfs/dbraw/zinc/13/88/84/821138884.db2.gz LAEXKQCEHAWEND-APIJFGDWSA-N 2 1 293.411 0.424 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084958010 821442316 /nfs/dbraw/zinc/44/23/16/821442316.db2.gz IKXVXTHVLIREJU-KBMXLJTQSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085674444 821889938 /nfs/dbraw/zinc/88/99/38/821889938.db2.gz WHBIWGVHESQZMX-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130188813 837717785 /nfs/dbraw/zinc/71/77/85/837717785.db2.gz KILMJQUXIPJOSB-ZIAGYGMSSA-N 2 1 263.385 0.732 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130300227 837754194 /nfs/dbraw/zinc/75/41/94/837754194.db2.gz KHZUIKBSDKRFLC-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673035 836713308 /nfs/dbraw/zinc/71/33/08/836713308.db2.gz AQJQDRPOFHLDGG-ILXRZTDVSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001113345807 837092909 /nfs/dbraw/zinc/09/29/09/837092909.db2.gz GSDUWMKPBRSVLN-CABCVRRESA-N 2 1 295.427 0.531 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001113345807 837092917 /nfs/dbraw/zinc/09/29/17/837092917.db2.gz GSDUWMKPBRSVLN-CABCVRRESA-N 2 1 295.427 0.531 20 30 CCEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC#CCOC ZINC001170211933 837254435 /nfs/dbraw/zinc/25/44/35/837254435.db2.gz RXKXRSNUDDECRJ-UHFFFAOYSA-N 2 1 269.389 0.074 20 30 CCEDMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001131380009 838076475 /nfs/dbraw/zinc/07/64/75/838076475.db2.gz AOHZBOBUYOCUAV-UHFFFAOYSA-N 2 1 296.374 0.949 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681439 838172740 /nfs/dbraw/zinc/17/27/40/838172740.db2.gz BPTLJQXLKSCWHK-HOCLYGCPSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102959 839161671 /nfs/dbraw/zinc/16/16/71/839161671.db2.gz RAKORVJXCSPEFF-ZIAGYGMSSA-N 2 1 263.385 0.732 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102864 839162076 /nfs/dbraw/zinc/16/20/76/839162076.db2.gz PMILORVGOXYNRL-GJZGRUSLSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135307498 839202908 /nfs/dbraw/zinc/20/29/08/839202908.db2.gz ZZSSEWYAHNPILI-UHFFFAOYSA-N 2 1 262.357 0.701 20 30 CCEDMP C=CC[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135320668 839205404 /nfs/dbraw/zinc/20/54/04/839205404.db2.gz AWMXSABHZADDAY-UHFFFAOYSA-N 2 1 269.389 0.381 20 30 CCEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100212181 839257176 /nfs/dbraw/zinc/25/71/76/839257176.db2.gz RWZSSCHUPSVLTO-YMAMQOFZSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100212181 839257189 /nfs/dbraw/zinc/25/71/89/839257189.db2.gz RWZSSCHUPSVLTO-YMAMQOFZSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185692491 844446717 /nfs/dbraw/zinc/44/67/17/844446717.db2.gz UWMHBPKXTAEQEF-HIFRSBDPSA-N 2 1 288.395 0.899 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808317 839827651 /nfs/dbraw/zinc/82/76/51/839827651.db2.gz JARAUKKMELDILS-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808317 839827655 /nfs/dbraw/zinc/82/76/55/839827655.db2.gz JARAUKKMELDILS-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001090971199 839934417 /nfs/dbraw/zinc/93/44/17/839934417.db2.gz SHGMJAYBBOYKTA-JXQTWKCFSA-N 2 1 281.400 0.378 20 30 CCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001090971199 839934421 /nfs/dbraw/zinc/93/44/21/839934421.db2.gz SHGMJAYBBOYKTA-JXQTWKCFSA-N 2 1 281.400 0.378 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001091201263 840131555 /nfs/dbraw/zinc/13/15/55/840131555.db2.gz JICKKQWVTRCXKD-YMAMQOFZSA-N 2 1 293.411 0.213 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171227566 840154118 /nfs/dbraw/zinc/15/41/18/840154118.db2.gz PYJZOYPHPSLVPT-ZDUSSCGKSA-N 2 1 251.374 0.447 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001273447894 840929031 /nfs/dbraw/zinc/92/90/31/840929031.db2.gz ZXQIOMNNZFPGCE-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086873339 840934049 /nfs/dbraw/zinc/93/40/49/840934049.db2.gz CNJGHJXAUXEIOJ-MELADBBJSA-N 2 1 263.385 0.446 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001273459195 841113869 /nfs/dbraw/zinc/11/38/69/841113869.db2.gz ZVHXJSNBXJQQDB-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C[C@@H](CCCC#N)[NH2+]CCC[NH+](CCO)CCO ZINC001172480062 841930993 /nfs/dbraw/zinc/93/09/93/841930993.db2.gz MGAWYDLRWSXXAE-ZDUSSCGKSA-N 2 1 257.378 0.335 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001176846123 842447198 /nfs/dbraw/zinc/44/71/98/842447198.db2.gz ZFYVEHXWZPCDFB-GASCZTMLSA-N 2 1 295.427 0.605 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@@H]1C ZINC001179986972 843091598 /nfs/dbraw/zinc/09/15/98/843091598.db2.gz JNCUQUBAJPSYCW-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182828 843112244 /nfs/dbraw/zinc/11/22/44/843112244.db2.gz QIOBVQWXHILSDA-SOUVJXGZSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182828 843112248 /nfs/dbraw/zinc/11/22/48/843112248.db2.gz QIOBVQWXHILSDA-SOUVJXGZSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183289490 843999583 /nfs/dbraw/zinc/99/95/83/843999583.db2.gz ZVRRCLUACKNFQO-CQSZACIVSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516784 845154381 /nfs/dbraw/zinc/15/43/81/845154381.db2.gz LQRSHPPYWGGFAC-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516784 845154385 /nfs/dbraw/zinc/15/43/85/845154385.db2.gz LQRSHPPYWGGFAC-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189516784 845154389 /nfs/dbraw/zinc/15/43/89/845154389.db2.gz LQRSHPPYWGGFAC-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189516784 845154392 /nfs/dbraw/zinc/15/43/92/845154392.db2.gz LQRSHPPYWGGFAC-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190653796 845454546 /nfs/dbraw/zinc/45/45/46/845454546.db2.gz GHOFGNPTQFWIOQ-GJZGRUSLSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2CC#C)C1 ZINC001190722948 845478024 /nfs/dbraw/zinc/47/80/24/845478024.db2.gz HAKUGIHEVAFVMW-HOTGVXAUSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001190722948 845478039 /nfs/dbraw/zinc/47/80/39/845478039.db2.gz HAKUGIHEVAFVMW-HOTGVXAUSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001190722948 845478045 /nfs/dbraw/zinc/47/80/45/845478045.db2.gz HAKUGIHEVAFVMW-HOTGVXAUSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001190722948 845478049 /nfs/dbraw/zinc/47/80/49/845478049.db2.gz HAKUGIHEVAFVMW-HOTGVXAUSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001190722948 845478059 /nfs/dbraw/zinc/47/80/59/845478059.db2.gz HAKUGIHEVAFVMW-HOTGVXAUSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016983 845773244 /nfs/dbraw/zinc/77/32/44/845773244.db2.gz LDMPLFXGYCHLKV-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194155594 846224723 /nfs/dbraw/zinc/22/47/23/846224723.db2.gz VXMRUSFKOJSBOK-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001194155594 846224745 /nfs/dbraw/zinc/22/47/45/846224745.db2.gz VXMRUSFKOJSBOK-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194155594 846224756 /nfs/dbraw/zinc/22/47/56/846224756.db2.gz VXMRUSFKOJSBOK-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194155594 846224767 /nfs/dbraw/zinc/22/47/67/846224767.db2.gz VXMRUSFKOJSBOK-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194284537 846265911 /nfs/dbraw/zinc/26/59/11/846265911.db2.gz HZUJNGALDYMICQ-ZDUSSCGKSA-N 2 1 251.374 0.493 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284537 846265920 /nfs/dbraw/zinc/26/59/20/846265920.db2.gz HZUJNGALDYMICQ-ZDUSSCGKSA-N 2 1 251.374 0.493 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284537 846265928 /nfs/dbraw/zinc/26/59/28/846265928.db2.gz HZUJNGALDYMICQ-ZDUSSCGKSA-N 2 1 251.374 0.493 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284698 846267116 /nfs/dbraw/zinc/26/71/16/846267116.db2.gz LYFCQXPJOMFNHF-HNNXBMFYSA-N 2 1 295.427 0.509 20 30 CCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194284698 846267126 /nfs/dbraw/zinc/26/71/26/846267126.db2.gz LYFCQXPJOMFNHF-HNNXBMFYSA-N 2 1 295.427 0.509 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194294772 846270155 /nfs/dbraw/zinc/27/01/55/846270155.db2.gz MXVLQTHCHWSNIS-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194294772 846270164 /nfs/dbraw/zinc/27/01/64/846270164.db2.gz MXVLQTHCHWSNIS-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194294772 846270171 /nfs/dbraw/zinc/27/01/71/846270171.db2.gz MXVLQTHCHWSNIS-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197950160 847008354 /nfs/dbraw/zinc/00/83/54/847008354.db2.gz VYPSHSNFJKHBTJ-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201239405 847745679 /nfs/dbraw/zinc/74/56/79/847745679.db2.gz KPZGRRCTTIJSKZ-UKRRQHHQSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201239405 847745684 /nfs/dbraw/zinc/74/56/84/847745684.db2.gz KPZGRRCTTIJSKZ-UKRRQHHQSA-N 2 1 295.427 0.862 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114423057 848055432 /nfs/dbraw/zinc/05/54/32/848055432.db2.gz KWHRTMXEPCKMCA-LJIGWXMPSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001114423057 848055443 /nfs/dbraw/zinc/05/54/43/848055443.db2.gz KWHRTMXEPCKMCA-LJIGWXMPSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001114423057 848055455 /nfs/dbraw/zinc/05/54/55/848055455.db2.gz KWHRTMXEPCKMCA-LJIGWXMPSA-N 2 1 289.423 0.931 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001275445968 848723836 /nfs/dbraw/zinc/72/38/36/848723836.db2.gz UIQOYQCBEHTAAV-NSHDSACASA-N 2 1 250.346 0.862 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001275581418 848768463 /nfs/dbraw/zinc/76/84/63/848768463.db2.gz DAPZASCCIRVBGX-JHJVBQTASA-N 2 1 274.368 0.973 20 30 CCEDMP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001275581418 848768466 /nfs/dbraw/zinc/76/84/66/848768466.db2.gz DAPZASCCIRVBGX-JHJVBQTASA-N 2 1 274.368 0.973 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001275581418 848768468 /nfs/dbraw/zinc/76/84/68/848768468.db2.gz DAPZASCCIRVBGX-JHJVBQTASA-N 2 1 274.368 0.973 20 30 CCEDMP C#CC[NH+](C)[C@@H](C)CNC(=O)CC[N@H+](C)CCC ZINC001275978055 848878955 /nfs/dbraw/zinc/87/89/55/848878955.db2.gz XUHXDFTUJOFXNN-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)CCC ZINC001275978055 848878960 /nfs/dbraw/zinc/87/89/60/848878960.db2.gz XUHXDFTUJOFXNN-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)CCC ZINC001275978055 848878962 /nfs/dbraw/zinc/87/89/62/848878962.db2.gz XUHXDFTUJOFXNN-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277460 849148505 /nfs/dbraw/zinc/14/85/05/849148505.db2.gz SSJAGENBSKOORQ-KFWWJZLASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778110 849392199 /nfs/dbraw/zinc/39/21/99/849392199.db2.gz FOHOVVFHOXPJFS-IMRBUKKESA-N 2 1 251.374 0.561 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038919986 850083266 /nfs/dbraw/zinc/08/32/66/850083266.db2.gz MJYJOQTZZRVBRA-CYBMUJFWSA-N 2 1 263.385 0.849 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038919986 850083277 /nfs/dbraw/zinc/08/32/77/850083277.db2.gz MJYJOQTZZRVBRA-CYBMUJFWSA-N 2 1 263.385 0.849 20 30 CCEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040529911 850298832 /nfs/dbraw/zinc/29/88/32/850298832.db2.gz SJUOKULVTWFZDY-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040529911 850298846 /nfs/dbraw/zinc/29/88/46/850298846.db2.gz SJUOKULVTWFZDY-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040529911 850298861 /nfs/dbraw/zinc/29/88/61/850298861.db2.gz SJUOKULVTWFZDY-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046992939 851654677 /nfs/dbraw/zinc/65/46/77/851654677.db2.gz HOFPUZKEBBUYDD-STQMWFEESA-N 2 1 299.365 0.645 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046992939 851654680 /nfs/dbraw/zinc/65/46/80/851654680.db2.gz HOFPUZKEBBUYDD-STQMWFEESA-N 2 1 299.365 0.645 20 30 CCEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046992939 851654683 /nfs/dbraw/zinc/65/46/83/851654683.db2.gz HOFPUZKEBBUYDD-STQMWFEESA-N 2 1 299.365 0.645 20 30 CCEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046992939 851654686 /nfs/dbraw/zinc/65/46/86/851654686.db2.gz HOFPUZKEBBUYDD-STQMWFEESA-N 2 1 299.365 0.645 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048827908 852077448 /nfs/dbraw/zinc/07/74/48/852077448.db2.gz MHATWZXVJFHPSH-XUWVNRHRSA-N 2 1 289.423 0.740 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048827908 852077458 /nfs/dbraw/zinc/07/74/58/852077458.db2.gz MHATWZXVJFHPSH-XUWVNRHRSA-N 2 1 289.423 0.740 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048827908 852077469 /nfs/dbraw/zinc/07/74/69/852077469.db2.gz MHATWZXVJFHPSH-XUWVNRHRSA-N 2 1 289.423 0.740 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]cn2)CC1 ZINC001052749180 852649547 /nfs/dbraw/zinc/64/95/47/852649547.db2.gz RRAYVWZXCMYEFL-ZDUSSCGKSA-N 2 1 274.368 0.946 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)Cc2cnc[nH]2)CC1 ZINC001052749180 852649550 /nfs/dbraw/zinc/64/95/50/852649550.db2.gz RRAYVWZXCMYEFL-ZDUSSCGKSA-N 2 1 274.368 0.946 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001052948417 852675727 /nfs/dbraw/zinc/67/57/27/852675727.db2.gz FMTJERDSXWBRQG-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052948417 852675731 /nfs/dbraw/zinc/67/57/31/852675731.db2.gz FMTJERDSXWBRQG-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052948417 852675735 /nfs/dbraw/zinc/67/57/35/852675735.db2.gz FMTJERDSXWBRQG-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052948417 852675740 /nfs/dbraw/zinc/67/57/40/852675740.db2.gz FMTJERDSXWBRQG-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050524161 853391012 /nfs/dbraw/zinc/39/10/12/853391012.db2.gz UQIOQVLPPAIFQP-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052274975 853720514 /nfs/dbraw/zinc/72/05/14/853720514.db2.gz DRXSVUHWKWEVSY-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052274975 853720516 /nfs/dbraw/zinc/72/05/16/853720516.db2.gz DRXSVUHWKWEVSY-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052274975 853720523 /nfs/dbraw/zinc/72/05/23/853720523.db2.gz DRXSVUHWKWEVSY-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052274975 853720530 /nfs/dbraw/zinc/72/05/30/853720530.db2.gz DRXSVUHWKWEVSY-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001072989774 854508908 /nfs/dbraw/zinc/50/89/08/854508908.db2.gz NGBBEVJRAWZQGT-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073128303 854535730 /nfs/dbraw/zinc/53/57/30/854535730.db2.gz YZOLKKSEVGGGGS-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001073128303 854535735 /nfs/dbraw/zinc/53/57/35/854535735.db2.gz YZOLKKSEVGGGGS-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073128303 854535742 /nfs/dbraw/zinc/53/57/42/854535742.db2.gz YZOLKKSEVGGGGS-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001074877371 854794126 /nfs/dbraw/zinc/79/41/26/854794126.db2.gz AUBAYHSYTGSOFJ-RDBSUJKOSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001074877370 854794528 /nfs/dbraw/zinc/79/45/28/854794528.db2.gz AUBAYHSYTGSOFJ-IHRRRGAJSA-N 2 1 263.385 0.540 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 ZINC001099804006 854998423 /nfs/dbraw/zinc/99/84/23/854998423.db2.gz GNQFRKDORZKBSJ-QWHCGFSZSA-N 2 1 292.383 0.470 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973811 855058035 /nfs/dbraw/zinc/05/80/35/855058035.db2.gz JNEUUCNYRSICIN-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100009286 855070855 /nfs/dbraw/zinc/07/08/55/855070855.db2.gz VVFPFTPQAISZNN-KGLIPLIRSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100009286 855070861 /nfs/dbraw/zinc/07/08/61/855070861.db2.gz VVFPFTPQAISZNN-KGLIPLIRSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100009286 855070865 /nfs/dbraw/zinc/07/08/65/855070865.db2.gz VVFPFTPQAISZNN-KGLIPLIRSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100009286 855070873 /nfs/dbraw/zinc/07/08/73/855070873.db2.gz VVFPFTPQAISZNN-KGLIPLIRSA-N 2 1 295.427 0.149 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100048168 855084521 /nfs/dbraw/zinc/08/45/21/855084521.db2.gz GYBDKSNMKFKQGV-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100064702 855090901 /nfs/dbraw/zinc/09/09/01/855090901.db2.gz QCTYMBWFJILXGL-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100064702 855090909 /nfs/dbraw/zinc/09/09/09/855090909.db2.gz QCTYMBWFJILXGL-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100064702 855090914 /nfs/dbraw/zinc/09/09/14/855090914.db2.gz QCTYMBWFJILXGL-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001100511669 855180399 /nfs/dbraw/zinc/18/03/99/855180399.db2.gz JQQJKCMNSGDCOS-UHFFFAOYSA-N 2 1 274.368 0.699 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001100678731 855208322 /nfs/dbraw/zinc/20/83/22/855208322.db2.gz VKIUBTCVMMTGEY-WLYUNCDWSA-N 2 1 277.412 0.836 20 30 CCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001101009550 855253798 /nfs/dbraw/zinc/25/37/98/855253798.db2.gz VKOVVKJHUJYHKD-YMAMQOFZSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001101009550 855253810 /nfs/dbraw/zinc/25/38/10/855253810.db2.gz VKOVVKJHUJYHKD-YMAMQOFZSA-N 2 1 295.427 0.768 20 30 CCEDMP COCC#CCN1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001323333457 912276151 /nfs/dbraw/zinc/27/61/51/912276151.db2.gz CRGNARHAVBLCTR-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001325307375 913331124 /nfs/dbraw/zinc/33/11/24/913331124.db2.gz DEPQURAVEKVUCC-ZIAGYGMSSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@H+](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001266326933 891446310 /nfs/dbraw/zinc/44/63/10/891446310.db2.gz QRLFVMNJWSQDHX-CYBMUJFWSA-N 2 1 276.384 0.988 20 30 CCEDMP C=CC[N@@H+](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001266326933 891446315 /nfs/dbraw/zinc/44/63/15/891446315.db2.gz QRLFVMNJWSQDHX-CYBMUJFWSA-N 2 1 276.384 0.988 20 30 CCEDMP C#CCC[N@@H+](CC)CCNC(=O)C[NH+](C)C1CCC1 ZINC001480980597 892011176 /nfs/dbraw/zinc/01/11/76/892011176.db2.gz KGDPORVTBHDQAI-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001480980597 892011192 /nfs/dbraw/zinc/01/11/92/892011192.db2.gz KGDPORVTBHDQAI-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001480980597 892011207 /nfs/dbraw/zinc/01/12/07/892011207.db2.gz KGDPORVTBHDQAI-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001283797099 892420136 /nfs/dbraw/zinc/42/01/36/892420136.db2.gz LZHNYWIIUFKNDJ-CABCVRRESA-N 2 1 297.443 0.751 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001482141736 893437517 /nfs/dbraw/zinc/43/75/17/893437517.db2.gz GBTPOHHEOWNMDA-OCCSQVGLSA-N 2 1 288.395 0.729 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001482296333 893796568 /nfs/dbraw/zinc/79/65/68/893796568.db2.gz IRPKOCCTYPOEPE-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001482296333 893796576 /nfs/dbraw/zinc/79/65/76/893796576.db2.gz IRPKOCCTYPOEPE-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[NH2+]C[C@H](C)N(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001482342664 893893193 /nfs/dbraw/zinc/89/31/93/893893193.db2.gz MHUDVGJAEPKZQQ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001482553570 894233876 /nfs/dbraw/zinc/23/38/76/894233876.db2.gz NIECEVAVSIVFRO-UONOGXRCSA-N 2 1 265.401 0.692 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]C(C)C ZINC001482841894 894645506 /nfs/dbraw/zinc/64/55/06/894645506.db2.gz PTOQLVTUJRQRQH-KBPBESRZSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]C(C)C ZINC001482841894 894645507 /nfs/dbraw/zinc/64/55/07/894645507.db2.gz PTOQLVTUJRQRQH-KBPBESRZSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]C(C)C ZINC001482841895 894645665 /nfs/dbraw/zinc/64/56/65/894645665.db2.gz PTOQLVTUJRQRQH-KGLIPLIRSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]C(C)C ZINC001482841895 894645672 /nfs/dbraw/zinc/64/56/72/894645672.db2.gz PTOQLVTUJRQRQH-KGLIPLIRSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483348254 895485656 /nfs/dbraw/zinc/48/56/56/895485656.db2.gz WBDHZPQFHNCHEK-GFCCVEGCSA-N 2 1 251.374 0.540 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001484248646 896284583 /nfs/dbraw/zinc/28/45/83/896284583.db2.gz OOTGUPRKTDNKGY-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001484248646 896284597 /nfs/dbraw/zinc/28/45/97/896284597.db2.gz OOTGUPRKTDNKGY-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001484248646 896284616 /nfs/dbraw/zinc/28/46/16/896284616.db2.gz OOTGUPRKTDNKGY-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001484444194 896410463 /nfs/dbraw/zinc/41/04/63/896410463.db2.gz QSNOPMDLHKUBOG-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001484490597 896436322 /nfs/dbraw/zinc/43/63/22/896436322.db2.gz BVCRZLVOTDHPBV-GJZGRUSLSA-N 2 1 297.443 0.703 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001484695744 896552271 /nfs/dbraw/zinc/55/22/71/896552271.db2.gz IBBKOFBNEVPRPQ-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485001418 896703900 /nfs/dbraw/zinc/70/39/00/896703900.db2.gz JVFHHXPNLMMBKI-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001485002309 896706768 /nfs/dbraw/zinc/70/67/68/896706768.db2.gz VIWGSBMANQXYSL-ZDUSSCGKSA-N 2 1 292.383 0.326 20 30 CCEDMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485303017 896944243 /nfs/dbraw/zinc/94/42/43/896944243.db2.gz OYGKDEDVULPBGJ-JSGCOSHPSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CCN1CC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001485532480 897113093 /nfs/dbraw/zinc/11/30/93/897113093.db2.gz HJNZZDFZSHIDFT-CHWSQXEVSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001485532480 897113097 /nfs/dbraw/zinc/11/30/97/897113097.db2.gz HJNZZDFZSHIDFT-CHWSQXEVSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001485532480 897113102 /nfs/dbraw/zinc/11/31/02/897113102.db2.gz HJNZZDFZSHIDFT-CHWSQXEVSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001488800664 900377811 /nfs/dbraw/zinc/37/78/11/900377811.db2.gz VKOVVKJHUJYHKD-QLFBSQMISA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001488800664 900377823 /nfs/dbraw/zinc/37/78/23/900377823.db2.gz VKOVVKJHUJYHKD-QLFBSQMISA-N 2 1 295.427 0.768 20 30 CCEDMP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CN(CC)CCO1 ZINC001327291902 914464801 /nfs/dbraw/zinc/46/48/01/914464801.db2.gz UXHATSPPWOTKRV-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CC#CC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001327291902 914464813 /nfs/dbraw/zinc/46/48/13/914464813.db2.gz UXHATSPPWOTKRV-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CC#CC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001327291902 914464832 /nfs/dbraw/zinc/46/48/32/914464832.db2.gz UXHATSPPWOTKRV-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001327291902 914464840 /nfs/dbraw/zinc/46/48/40/914464840.db2.gz UXHATSPPWOTKRV-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001297377908 901421097 /nfs/dbraw/zinc/42/10/97/901421097.db2.gz CYGKPAOTCUFZFN-HNNXBMFYSA-N 2 1 297.443 0.921 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001284416795 905280892 /nfs/dbraw/zinc/28/08/92/905280892.db2.gz PZPKYIXEABBLQX-CYBMUJFWSA-N 2 1 269.389 0.066 20 30 CCEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001284854554 905445304 /nfs/dbraw/zinc/44/53/04/905445304.db2.gz JDDIIKXXHMXFFP-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001491812849 907615217 /nfs/dbraw/zinc/61/52/17/907615217.db2.gz UNZNSJWWWGJCGW-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001492406022 907905565 /nfs/dbraw/zinc/90/55/65/907905565.db2.gz WUOFFLBOPYRFGK-CQSZACIVSA-N 2 1 283.416 0.270 20 30 CCEDMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC#CC[NH+](C)C ZINC001312802522 908632732 /nfs/dbraw/zinc/63/27/32/908632732.db2.gz LPSUKENVJMDUTI-AWEZNQCLSA-N 2 1 282.432 0.971 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC001338491540 921485239 /nfs/dbraw/zinc/48/52/39/921485239.db2.gz KWOVRNPWLXGGBR-AWEZNQCLSA-N 2 1 268.401 0.586 20 30 CCEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001317677478 909462703 /nfs/dbraw/zinc/46/27/03/909462703.db2.gz PDMRZPYSJUUFSX-HIFRSBDPSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001317677478 909462714 /nfs/dbraw/zinc/46/27/14/909462714.db2.gz PDMRZPYSJUUFSX-HIFRSBDPSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001319323151 910096935 /nfs/dbraw/zinc/09/69/35/910096935.db2.gz VBHXJVJXJSEDDM-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001319323151 910096950 /nfs/dbraw/zinc/09/69/50/910096950.db2.gz VBHXJVJXJSEDDM-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP CC#CC[NH2+][C@@H](CNC(=O)CC[NH+]1CCOCC1)C(C)C ZINC001319956264 910372558 /nfs/dbraw/zinc/37/25/58/910372558.db2.gz RKXFALZIDBOUSK-HNNXBMFYSA-N 2 1 295.427 0.462 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001320216441 910529358 /nfs/dbraw/zinc/52/93/58/910529358.db2.gz KKQYVDIGXSMKNO-ZIAGYGMSSA-N 2 1 283.416 0.502 20 30 CCEDMP CCN(CC[NH2+]CC#CCOC)C(=O)Cn1c[nH+]cc1C ZINC001320797161 910871299 /nfs/dbraw/zinc/87/12/99/910871299.db2.gz BEEZKKCNXKGTDT-UHFFFAOYSA-N 2 1 292.383 0.279 20 30 CCEDMP C=CCO[C@@H]1CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC001321279842 911201713 /nfs/dbraw/zinc/20/17/13/911201713.db2.gz AFVGMESGPYPLLO-CQSZACIVSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CCO[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001321279842 911201719 /nfs/dbraw/zinc/20/17/19/911201719.db2.gz AFVGMESGPYPLLO-CQSZACIVSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CCO[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001321279842 911201726 /nfs/dbraw/zinc/20/17/26/911201726.db2.gz AFVGMESGPYPLLO-CQSZACIVSA-N 2 1 281.400 0.427 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001329592978 916043627 /nfs/dbraw/zinc/04/36/27/916043627.db2.gz WIYJNWKZBBNNFE-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCO[C@H]1CCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC001329945388 916300217 /nfs/dbraw/zinc/30/02/17/916300217.db2.gz NCBUAKUUKKDNCL-KGLIPLIRSA-N 2 1 254.374 0.718 20 30 CCEDMP C=CCO[C@H]1CC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC001329945388 916300234 /nfs/dbraw/zinc/30/02/34/916300234.db2.gz NCBUAKUUKKDNCL-KGLIPLIRSA-N 2 1 254.374 0.718 20 30 CCEDMP C=CCO[C@H]1CC[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC001329945388 916300252 /nfs/dbraw/zinc/30/02/52/916300252.db2.gz NCBUAKUUKKDNCL-KGLIPLIRSA-N 2 1 254.374 0.718 20 30 CCEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001330085573 916407976 /nfs/dbraw/zinc/40/79/76/916407976.db2.gz MFABGOJLKIBMCW-CYBMUJFWSA-N 2 1 265.401 0.786 20 30 CCEDMP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001331191518 917169315 /nfs/dbraw/zinc/16/93/15/917169315.db2.gz MVMZPFVPJGONCA-CABCVRRESA-N 2 1 295.427 0.461 20 30 CCEDMP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001331191518 917169327 /nfs/dbraw/zinc/16/93/27/917169327.db2.gz MVMZPFVPJGONCA-CABCVRRESA-N 2 1 295.427 0.461 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001332217485 917964338 /nfs/dbraw/zinc/96/43/38/917964338.db2.gz HOQSUSGLRGVYFV-UONOGXRCSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001332217485 917964351 /nfs/dbraw/zinc/96/43/51/917964351.db2.gz HOQSUSGLRGVYFV-UONOGXRCSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001332217485 917964366 /nfs/dbraw/zinc/96/43/66/917964366.db2.gz HOQSUSGLRGVYFV-UONOGXRCSA-N 2 1 265.401 0.929 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332607945 918307424 /nfs/dbraw/zinc/30/74/24/918307424.db2.gz VJTAQDSIORYVCE-CQSZACIVSA-N 2 1 294.399 0.567 20 30 CCEDMP C#CC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC001340107352 921959481 /nfs/dbraw/zinc/95/94/81/921959481.db2.gz XYRMMHAVXRXGGM-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C=CC[C@]1(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CCC[NH2+]1 ZINC001341940191 922731150 /nfs/dbraw/zinc/73/11/50/922731150.db2.gz CUXXZKLTQUFRPD-IIAWOOMASA-N 2 1 294.443 0.435 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccnc(NC)c1 ZINC001351178099 925377720 /nfs/dbraw/zinc/37/77/20/925377720.db2.gz CNPDWLAYMPBNDK-UHFFFAOYSA-N 2 1 289.383 0.878 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001374628738 930599848 /nfs/dbraw/zinc/59/98/48/930599848.db2.gz HKLJFVKSHNKYPD-LLVKDONJSA-N 2 1 286.763 0.011 20 30 CCEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001448875855 931013947 /nfs/dbraw/zinc/01/39/47/931013947.db2.gz YOEIULVKCBWJMN-CABCVRRESA-N 2 1 294.443 0.341 20 30 CCEDMP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1C ZINC000601851280 362409952 /nfs/dbraw/zinc/40/99/52/362409952.db2.gz JUGQUQDJTRTBNO-QWHCGFSZSA-N 2 1 266.389 0.806 20 30 CCEDMP [NH2+]=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)NC1CC1 ZINC000066245392 348738412 /nfs/dbraw/zinc/73/84/12/348738412.db2.gz GNPZIVONIKHLOO-OAHLLOKOSA-N 2 1 288.395 0.472 20 30 CCEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173614968 351046868 /nfs/dbraw/zinc/04/68/68/351046868.db2.gz OGKMKDGNHDCAEE-LBPRGKRZSA-N 2 1 251.374 0.587 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404293373 357819742 /nfs/dbraw/zinc/81/97/42/357819742.db2.gz WBSZVYBNHKOZKH-NEPJUHHUSA-N 2 1 282.388 0.448 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404293373 357819745 /nfs/dbraw/zinc/81/97/45/357819745.db2.gz WBSZVYBNHKOZKH-NEPJUHHUSA-N 2 1 282.388 0.448 20 30 CCEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000594440629 360310205 /nfs/dbraw/zinc/31/02/05/360310205.db2.gz HDYPMJJECZGRID-CQSZACIVSA-N 2 1 278.400 0.952 20 30 CCEDMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594440575 360310276 /nfs/dbraw/zinc/31/02/76/360310276.db2.gz FUGBOTPKDJFLAC-OLZOCXBDSA-N 2 1 266.389 0.856 20 30 CCEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]2C1 ZINC000594443588 360311690 /nfs/dbraw/zinc/31/16/90/360311690.db2.gz RWSQDSKTKUWHJD-RDBSUJKOSA-N 2 1 278.400 0.950 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000594469668 360320596 /nfs/dbraw/zinc/32/05/96/360320596.db2.gz QJXCWPAWNWZNIP-ZDUSSCGKSA-N 2 1 264.373 0.776 20 30 CCEDMP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000594659598 360356588 /nfs/dbraw/zinc/35/65/88/360356588.db2.gz GMNGEGQKMOJNDI-OLZOCXBDSA-N 2 1 292.383 0.301 20 30 CCEDMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000594659598 360356593 /nfs/dbraw/zinc/35/65/93/360356593.db2.gz GMNGEGQKMOJNDI-OLZOCXBDSA-N 2 1 292.383 0.301 20 30 CCEDMP COCC[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598719394 361496092 /nfs/dbraw/zinc/49/60/92/361496092.db2.gz HNSJPYKYYSAXND-CQSZACIVSA-N 2 1 283.416 0.988 20 30 CCEDMP NC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267467578 389371074 /nfs/dbraw/zinc/37/10/74/389371074.db2.gz WVIRMEWAJABBMQ-ZDUSSCGKSA-N 2 1 289.383 0.157 20 30 CCEDMP CN(C)C(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000170911271 389468805 /nfs/dbraw/zinc/46/88/05/389468805.db2.gz IZGHVKBTFWFDAR-UHFFFAOYSA-N 2 1 289.427 0.810 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430550334 389806709 /nfs/dbraw/zinc/80/67/09/389806709.db2.gz ZBWIFBGWFZOZDQ-RYUDHWBXSA-N 2 1 284.404 0.692 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430550334 389806712 /nfs/dbraw/zinc/80/67/12/389806712.db2.gz ZBWIFBGWFZOZDQ-RYUDHWBXSA-N 2 1 284.404 0.692 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000420303297 389981000 /nfs/dbraw/zinc/98/10/00/389981000.db2.gz CRJHYQVIQBAGMM-QWHCGFSZSA-N 2 1 251.374 0.834 20 30 CCEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CC[NH2+]CC2(C)C)C1=O ZINC000420369351 389993111 /nfs/dbraw/zinc/99/31/11/389993111.db2.gz UZMFFVOJAHCTHI-VXGBXAGGSA-N 2 1 251.374 0.751 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420401320 389997110 /nfs/dbraw/zinc/99/71/10/389997110.db2.gz JCIRFGNWDIJZQN-WOPDTQHZSA-N 2 1 282.388 0.303 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420401320 389997113 /nfs/dbraw/zinc/99/71/13/389997113.db2.gz JCIRFGNWDIJZQN-WOPDTQHZSA-N 2 1 282.388 0.303 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000491454575 390113734 /nfs/dbraw/zinc/11/37/34/390113734.db2.gz ZUYWPLKCHJXHBL-OWCLPIDISA-N 2 1 297.443 0.001 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000491454575 390113735 /nfs/dbraw/zinc/11/37/35/390113735.db2.gz ZUYWPLKCHJXHBL-OWCLPIDISA-N 2 1 297.443 0.001 20 30 CCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000567689790 390710460 /nfs/dbraw/zinc/71/04/60/390710460.db2.gz QWSBIEKCDOWSTC-UYTSQGDYSA-N 2 1 294.443 0.798 20 30 CCEDMP C[C@H](CCO)[NH+](C)CC#CC[N@H+](C)[C@H](C)CCO ZINC000649870867 397677479 /nfs/dbraw/zinc/67/74/79/397677479.db2.gz LQQCJSGBJJLBCE-ZIAGYGMSSA-N 2 1 256.390 0.395 20 30 CCEDMP C=CCC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153807 414694434 /nfs/dbraw/zinc/69/44/34/414694434.db2.gz CIRMVPPZRJWPDY-GJZGRUSLSA-N 2 1 268.401 0.845 20 30 CCEDMP C=CCC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153807 414694435 /nfs/dbraw/zinc/69/44/35/414694435.db2.gz CIRMVPPZRJWPDY-GJZGRUSLSA-N 2 1 268.401 0.845 20 30 CCEDMP C=CC[C@]1(C(=O)N2CC[NH2+]C[C@](C)(F)C2)CCC[NH2+]1 ZINC000662782556 414788253 /nfs/dbraw/zinc/78/82/53/414788253.db2.gz DDHYTOJLDXXCMJ-UONOGXRCSA-N 2 1 269.364 0.845 20 30 CCEDMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](CCOC)C2)CCC[NH2+]1 ZINC000662721174 414746185 /nfs/dbraw/zinc/74/61/85/414746185.db2.gz KVBQQUVHXKWRHX-DZGCQCFKSA-N 2 1 281.400 0.522 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000490574913 261163864 /nfs/dbraw/zinc/16/38/64/261163864.db2.gz FNBANHGXYXXGIR-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000490593587 261164778 /nfs/dbraw/zinc/16/47/78/261164778.db2.gz DOWOBHZXYIQXRH-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000490778801 261207531 /nfs/dbraw/zinc/20/75/31/261207531.db2.gz LPBRGYSVUVLRPA-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP COC[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](COC)C2)C1 ZINC000341890572 263364250 /nfs/dbraw/zinc/36/42/50/263364250.db2.gz ALSZREPJQQMIQO-IYBDPMFKSA-N 2 1 280.412 0.926 20 30 CCEDMP C[N@@H+]1CC=C(CNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000263114241 330044333 /nfs/dbraw/zinc/04/43/33/330044333.db2.gz BUJHQLGBTAGUCZ-GFCCVEGCSA-N 2 1 252.362 0.332 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nn(C)cc1Cl ZINC000263184698 330047892 /nfs/dbraw/zinc/04/78/92/330047892.db2.gz URPCVMVWDAISMY-JTQLQIEISA-N 2 1 298.822 0.962 20 30 CCEDMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424138353 330276607 /nfs/dbraw/zinc/27/66/07/330276607.db2.gz UEZOVYOZJNEXOC-STQMWFEESA-N 2 1 266.389 0.998 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000424145717 330291450 /nfs/dbraw/zinc/29/14/50/330291450.db2.gz OIFPDSKLWKBQCQ-NEPJUHHUSA-N 2 1 250.346 0.314 20 30 CCEDMP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000424153580 330299931 /nfs/dbraw/zinc/29/99/31/330299931.db2.gz KIZQNOWIOJWMTC-CHWSQXEVSA-N 2 1 264.373 0.703 20 30 CCEDMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424156143 330303835 /nfs/dbraw/zinc/30/38/35/330303835.db2.gz NQTNIWQVMRTRGV-NWDGAFQWSA-N 2 1 254.378 0.854 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@@H+](CCCC)CCOC)CC1 ZINC000490780322 332115217 /nfs/dbraw/zinc/11/52/17/332115217.db2.gz JZIFKVIJIRZFQR-UHFFFAOYSA-N 2 1 295.427 0.512 20 30 CCEDMP C#CC[N@H+](C)CCCNc1cc[nH+]c(N2CCOCC2)n1 ZINC000491069995 332145635 /nfs/dbraw/zinc/14/56/35/332145635.db2.gz ZUSMBAWJKUDJPR-UHFFFAOYSA-N 2 1 289.383 0.102 20 30 CCEDMP C#CC[N@@H+](C)CCCNc1cc[nH+]c(N2CCOCC2)n1 ZINC000491069995 332145636 /nfs/dbraw/zinc/14/56/36/332145636.db2.gz ZUSMBAWJKUDJPR-UHFFFAOYSA-N 2 1 289.383 0.102 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000491073415 332147162 /nfs/dbraw/zinc/14/71/62/332147162.db2.gz YWEWOWIPCVYYSO-LBPRGKRZSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000491073415 332147163 /nfs/dbraw/zinc/14/71/63/332147163.db2.gz YWEWOWIPCVYYSO-LBPRGKRZSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=S)NC1CC[NH+](C)CC1 ZINC000491267885 332177759 /nfs/dbraw/zinc/17/77/59/332177759.db2.gz WHISRTDIPXZVPO-UHFFFAOYSA-N 2 1 282.457 0.500 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000491395459 332204284 /nfs/dbraw/zinc/20/42/84/332204284.db2.gz SISFJZLFAPYNFG-UHFFFAOYSA-N 2 1 287.411 0.990 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000491395459 332204285 /nfs/dbraw/zinc/20/42/85/332204285.db2.gz SISFJZLFAPYNFG-UHFFFAOYSA-N 2 1 287.411 0.990 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000491747948 332325318 /nfs/dbraw/zinc/32/53/18/332325318.db2.gz QUELXFYQFPEYHK-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000491747948 332325319 /nfs/dbraw/zinc/32/53/19/332325319.db2.gz QUELXFYQFPEYHK-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000491747948 332325321 /nfs/dbraw/zinc/32/53/21/332325321.db2.gz QUELXFYQFPEYHK-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000577055530 335292103 /nfs/dbraw/zinc/29/21/03/335292103.db2.gz RCJFDVAAZAIDDI-GJZGRUSLSA-N 2 1 282.432 0.514 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC#N ZINC000787371865 581469411 /nfs/dbraw/zinc/46/94/11/581469411.db2.gz WDWOXILBWZRUHX-CQSZACIVSA-N 2 1 295.431 0.958 20 30 CCEDMP CNC(NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)=[NH+]C ZINC000750542055 582050582 /nfs/dbraw/zinc/05/05/82/582050582.db2.gz TXFGKVGKNCPOAJ-LBPRGKRZSA-N 2 1 295.456 0.831 20 30 CCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977602527 613037966 /nfs/dbraw/zinc/03/79/66/613037966.db2.gz RQXGECIDLYQIDE-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977602527 613037968 /nfs/dbraw/zinc/03/79/68/613037968.db2.gz RQXGECIDLYQIDE-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977602527 613037970 /nfs/dbraw/zinc/03/79/70/613037970.db2.gz RQXGECIDLYQIDE-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905276318 613079059 /nfs/dbraw/zinc/07/90/59/613079059.db2.gz XBVMJPHAYOHCRN-OAHLLOKOSA-N 2 1 282.428 0.835 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905276318 613079060 /nfs/dbraw/zinc/07/90/60/613079060.db2.gz XBVMJPHAYOHCRN-OAHLLOKOSA-N 2 1 282.428 0.835 20 30 CCEDMP C[C@@H](C#N)OCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000801935744 617297045 /nfs/dbraw/zinc/29/70/45/617297045.db2.gz CUJJDBMHMOFZKZ-AWEZNQCLSA-N 2 1 282.432 0.873 20 30 CCEDMP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000981229585 612958865 /nfs/dbraw/zinc/95/88/65/612958865.db2.gz YVTZUTPPVFWIAD-KGLIPLIRSA-N 2 1 274.368 0.842 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000968645060 612962802 /nfs/dbraw/zinc/96/28/02/612962802.db2.gz LLDZOJJZWREJNE-KGLIPLIRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000969411389 612996717 /nfs/dbraw/zinc/99/67/17/612996717.db2.gz KCXFZLQJOVWTGO-GXTWGEPZSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944168208 613025860 /nfs/dbraw/zinc/02/58/60/613025860.db2.gz HPHBHBQYADKWGV-GJZGRUSLSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000962292474 613043336 /nfs/dbraw/zinc/04/33/36/613043336.db2.gz IQEZLEMCKPQHDV-TTZDDIAXSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000962292474 613043337 /nfs/dbraw/zinc/04/33/37/613043337.db2.gz IQEZLEMCKPQHDV-TTZDDIAXSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000962292474 613043338 /nfs/dbraw/zinc/04/33/38/613043338.db2.gz IQEZLEMCKPQHDV-TTZDDIAXSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000843270774 613044962 /nfs/dbraw/zinc/04/49/62/613044962.db2.gz ZKTJPJJRMRXURV-ZIAGYGMSSA-N 2 1 291.395 0.411 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905049261 613072553 /nfs/dbraw/zinc/07/25/53/613072553.db2.gz QJRHFSHOQCMLPP-GFCCVEGCSA-N 2 1 268.430 0.951 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000851661758 613073214 /nfs/dbraw/zinc/07/32/14/613073214.db2.gz NSMDIQPSZVYDEL-UHFFFAOYSA-N 2 1 254.378 0.320 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000895056528 613075185 /nfs/dbraw/zinc/07/51/85/613075185.db2.gz NHUJYILNNURLGZ-UHFFFAOYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000895056528 613075187 /nfs/dbraw/zinc/07/51/87/613075187.db2.gz NHUJYILNNURLGZ-UHFFFAOYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000895056528 613075189 /nfs/dbraw/zinc/07/51/89/613075189.db2.gz NHUJYILNNURLGZ-UHFFFAOYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000971947337 613090822 /nfs/dbraw/zinc/09/08/22/613090822.db2.gz SIAYSUMMUGMDPH-ZDUSSCGKSA-N 2 1 260.341 0.357 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000971947337 613090823 /nfs/dbraw/zinc/09/08/23/613090823.db2.gz SIAYSUMMUGMDPH-ZDUSSCGKSA-N 2 1 260.341 0.357 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269977 613179023 /nfs/dbraw/zinc/17/90/23/613179023.db2.gz SLQTXDUQRFOQNH-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269977 613179024 /nfs/dbraw/zinc/17/90/24/613179024.db2.gz SLQTXDUQRFOQNH-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000948269977 613179025 /nfs/dbraw/zinc/17/90/25/613179025.db2.gz SLQTXDUQRFOQNH-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269977 613179026 /nfs/dbraw/zinc/17/90/26/613179026.db2.gz SLQTXDUQRFOQNH-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C1 ZINC000896489001 613184523 /nfs/dbraw/zinc/18/45/23/613184523.db2.gz KZVKKUQCAMCQNH-ZNMIVQPWSA-N 2 1 290.411 0.287 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC000896489001 613184524 /nfs/dbraw/zinc/18/45/24/613184524.db2.gz KZVKKUQCAMCQNH-ZNMIVQPWSA-N 2 1 290.411 0.287 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC000896489001 613184526 /nfs/dbraw/zinc/18/45/26/613184526.db2.gz KZVKKUQCAMCQNH-ZNMIVQPWSA-N 2 1 290.411 0.287 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC000896489001 613184527 /nfs/dbraw/zinc/18/45/27/613184527.db2.gz KZVKKUQCAMCQNH-ZNMIVQPWSA-N 2 1 290.411 0.287 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000854654239 613196760 /nfs/dbraw/zinc/19/67/60/613196760.db2.gz KGHGVKLSGXIGPT-IHRRRGAJSA-N 2 1 263.385 0.635 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000854654239 613196761 /nfs/dbraw/zinc/19/67/61/613196761.db2.gz KGHGVKLSGXIGPT-IHRRRGAJSA-N 2 1 263.385 0.635 20 30 CCEDMP C#Cc1cnc(NCC[N@@H+](C)CCC[NH+](C)C)nc1 ZINC000853797967 613210359 /nfs/dbraw/zinc/21/03/59/613210359.db2.gz KARFQOBUDNYRPX-UHFFFAOYSA-N 2 1 261.373 0.753 20 30 CCEDMP C#Cc1cnc(NCC[N@H+](C)CCC[NH+](C)C)nc1 ZINC000853797967 613210361 /nfs/dbraw/zinc/21/03/61/613210361.db2.gz KARFQOBUDNYRPX-UHFFFAOYSA-N 2 1 261.373 0.753 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968548421 613217979 /nfs/dbraw/zinc/21/79/79/613217979.db2.gz GIGUZVBRFPCXEV-ZIAGYGMSSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968548421 613217980 /nfs/dbraw/zinc/21/79/80/613217980.db2.gz GIGUZVBRFPCXEV-ZIAGYGMSSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944942504 613258400 /nfs/dbraw/zinc/25/84/00/613258400.db2.gz AEYVGVNUWSDNEC-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221426 613258747 /nfs/dbraw/zinc/25/87/47/613258747.db2.gz UKTFLKJYKYOLFG-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974584014 613282193 /nfs/dbraw/zinc/28/21/93/613282193.db2.gz CBFDUIGBOXBZOS-LSDHHAIUSA-N 2 1 289.423 0.788 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971266127 613290460 /nfs/dbraw/zinc/29/04/60/613290460.db2.gz GISZAFRCQJMMHQ-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971266127 613290461 /nfs/dbraw/zinc/29/04/61/613290461.db2.gz GISZAFRCQJMMHQ-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971266127 613290462 /nfs/dbraw/zinc/29/04/62/613290462.db2.gz GISZAFRCQJMMHQ-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971266127 613290463 /nfs/dbraw/zinc/29/04/63/613290463.db2.gz GISZAFRCQJMMHQ-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970904633 613299175 /nfs/dbraw/zinc/29/91/75/613299175.db2.gz REUNLIFXKYUMJW-HIFRSBDPSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970904633 613299178 /nfs/dbraw/zinc/29/91/78/613299178.db2.gz REUNLIFXKYUMJW-HIFRSBDPSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970869369 613302226 /nfs/dbraw/zinc/30/22/26/613302226.db2.gz PLGZUEYFYUUFPQ-STQMWFEESA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000959852004 613315544 /nfs/dbraw/zinc/31/55/44/613315544.db2.gz UPVMPTAXGBLPIA-LJISPDSOSA-N 2 1 275.396 0.539 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000959852004 613315546 /nfs/dbraw/zinc/31/55/46/613315546.db2.gz UPVMPTAXGBLPIA-LJISPDSOSA-N 2 1 275.396 0.539 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000959852004 613315548 /nfs/dbraw/zinc/31/55/48/613315548.db2.gz UPVMPTAXGBLPIA-LJISPDSOSA-N 2 1 275.396 0.539 20 30 CCEDMP C=C(C)CNC(=[NH2+])NCCC[N@@H+](C)CCN(C)C ZINC000849028297 613346476 /nfs/dbraw/zinc/34/64/76/613346476.db2.gz PDYPSFFIRSWVDA-UHFFFAOYSA-N 2 1 255.410 0.560 20 30 CCEDMP C=C(C)CNC(=[NH2+])NCCC[N@H+](C)CCN(C)C ZINC000849028297 613346477 /nfs/dbraw/zinc/34/64/77/613346477.db2.gz PDYPSFFIRSWVDA-UHFFFAOYSA-N 2 1 255.410 0.560 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000911561160 613364666 /nfs/dbraw/zinc/36/46/66/613364666.db2.gz LAYPSTUSRRMLNI-UHFFFAOYSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000885883612 613366600 /nfs/dbraw/zinc/36/66/00/613366600.db2.gz XNVUTQHOAZXZCL-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000838150741 613366610 /nfs/dbraw/zinc/36/66/10/613366610.db2.gz XLKALEDJPIBCCA-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000876744067 613390106 /nfs/dbraw/zinc/39/01/06/613390106.db2.gz MYXCVKFZHNJHDH-TUAOUCFPSA-N 2 1 287.791 0.436 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000876750974 613390185 /nfs/dbraw/zinc/39/01/85/613390185.db2.gz KYAHIKYVCQUWJC-RYUDHWBXSA-N 2 1 289.807 0.683 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000876739021 613390220 /nfs/dbraw/zinc/39/02/20/613390220.db2.gz BKSHDFQTCDTICF-QWRGUYRKSA-N 2 1 259.781 0.914 20 30 CCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969443181 613486313 /nfs/dbraw/zinc/48/63/13/613486313.db2.gz ZFLYMSGAHFFXDL-GXTWGEPZSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969443181 613486315 /nfs/dbraw/zinc/48/63/15/613486315.db2.gz ZFLYMSGAHFFXDL-GXTWGEPZSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413784 613590988 /nfs/dbraw/zinc/59/09/88/613590988.db2.gz HCKWFAHNALRJOX-RQJABVFESA-N 2 1 295.383 0.180 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977604365 613608943 /nfs/dbraw/zinc/60/89/43/613608943.db2.gz VVSWVXAURXTEJQ-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977604365 613608945 /nfs/dbraw/zinc/60/89/45/613608945.db2.gz VVSWVXAURXTEJQ-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977604365 613608947 /nfs/dbraw/zinc/60/89/47/613608947.db2.gz VVSWVXAURXTEJQ-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971272797 613616198 /nfs/dbraw/zinc/61/61/98/613616198.db2.gz ZSVMJTOFQLLJDA-OLZOCXBDSA-N 2 1 267.373 0.036 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971272797 613616199 /nfs/dbraw/zinc/61/61/99/613616199.db2.gz ZSVMJTOFQLLJDA-OLZOCXBDSA-N 2 1 267.373 0.036 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971272797 613616202 /nfs/dbraw/zinc/61/62/02/613616202.db2.gz ZSVMJTOFQLLJDA-OLZOCXBDSA-N 2 1 267.373 0.036 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971272797 613616205 /nfs/dbraw/zinc/61/62/05/613616205.db2.gz ZSVMJTOFQLLJDA-OLZOCXBDSA-N 2 1 267.373 0.036 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000959849906 613635660 /nfs/dbraw/zinc/63/56/60/613635660.db2.gz NGSMFUOTXIDDJQ-XUWVNRHRSA-N 2 1 289.423 0.929 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000959849906 613635662 /nfs/dbraw/zinc/63/56/62/613635662.db2.gz NGSMFUOTXIDDJQ-XUWVNRHRSA-N 2 1 289.423 0.929 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000959849906 613635665 /nfs/dbraw/zinc/63/56/65/613635665.db2.gz NGSMFUOTXIDDJQ-XUWVNRHRSA-N 2 1 289.423 0.929 20 30 CCEDMP C=CCN1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000957378329 613654257 /nfs/dbraw/zinc/65/42/57/613654257.db2.gz MKCNLALVIQNGQH-GFCCVEGCSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000959976575 613839243 /nfs/dbraw/zinc/83/92/43/613839243.db2.gz VKKNPASNCAOKRB-POQQGIQPSA-N 2 1 263.385 0.559 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959976575 613839244 /nfs/dbraw/zinc/83/92/44/613839244.db2.gz VKKNPASNCAOKRB-POQQGIQPSA-N 2 1 263.385 0.559 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959976575 613839245 /nfs/dbraw/zinc/83/92/45/613839245.db2.gz VKKNPASNCAOKRB-POQQGIQPSA-N 2 1 263.385 0.559 20 30 CCEDMP C=CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000905004672 613849368 /nfs/dbraw/zinc/84/93/68/613849368.db2.gz QUKPZWIBAHOELF-OKILXGFUSA-N 2 1 278.400 0.783 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000970479734 613863886 /nfs/dbraw/zinc/86/38/86/613863886.db2.gz XRQZTBYCEPMKAY-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP CCC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884412874 614747434 /nfs/dbraw/zinc/74/74/34/614747434.db2.gz CLNRRHXLCBZSLL-IQXANGCESA-N 2 1 290.411 0.726 20 30 CCEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)CC#N)C1 ZINC000929771173 614998870 /nfs/dbraw/zinc/99/88/70/614998870.db2.gz LODHXQWMKKTCHV-ZIAGYGMSSA-N 2 1 269.389 0.694 20 30 CCEDMP CCO[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)C[NH+](C)C ZINC000905578727 615410028 /nfs/dbraw/zinc/41/00/28/615410028.db2.gz GEKNJOUHENGZFH-OLZOCXBDSA-N 2 1 269.389 0.597 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000913524160 615859971 /nfs/dbraw/zinc/85/99/71/615859971.db2.gz BYLKHXNSMFCTDM-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C[N@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884198334 616195833 /nfs/dbraw/zinc/19/58/33/616195833.db2.gz SJYCVUVELSDZQP-DNCHLWJUSA-N 2 1 276.384 0.336 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921683818 616222650 /nfs/dbraw/zinc/22/26/50/616222650.db2.gz JNWDRYDZOPWDAF-UHFFFAOYSA-N 2 1 292.408 0.873 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001026044023 625324575 /nfs/dbraw/zinc/32/45/75/625324575.db2.gz JWJDCFKSUUINPA-MEBFFEOJSA-N 2 1 263.385 0.417 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026044023 625324578 /nfs/dbraw/zinc/32/45/78/625324578.db2.gz JWJDCFKSUUINPA-MEBFFEOJSA-N 2 1 263.385 0.417 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026044023 625324583 /nfs/dbraw/zinc/32/45/83/625324583.db2.gz JWJDCFKSUUINPA-MEBFFEOJSA-N 2 1 263.385 0.417 20 30 CCEDMP COCCNC(=[NH2+])NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000161527629 622860761 /nfs/dbraw/zinc/86/07/61/622860761.db2.gz JLZNSFOHVNBXFP-GFCCVEGCSA-N 2 1 256.394 0.658 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001022973795 622873648 /nfs/dbraw/zinc/87/36/48/622873648.db2.gz YLPALVOVASWAST-RWMBFGLXSA-N 2 1 251.374 0.751 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001024376951 623302085 /nfs/dbraw/zinc/30/20/85/623302085.db2.gz FXXZKQVPKNLLMH-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024376951 623302092 /nfs/dbraw/zinc/30/20/92/623302092.db2.gz FXXZKQVPKNLLMH-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024376951 623302099 /nfs/dbraw/zinc/30/20/99/623302099.db2.gz FXXZKQVPKNLLMH-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024376951 623302107 /nfs/dbraw/zinc/30/21/07/623302107.db2.gz FXXZKQVPKNLLMH-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001024797492 623445513 /nfs/dbraw/zinc/44/55/13/623445513.db2.gz OLBHKUWSARPBHE-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024797492 623445514 /nfs/dbraw/zinc/44/55/14/623445514.db2.gz OLBHKUWSARPBHE-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024797492 623445515 /nfs/dbraw/zinc/44/55/15/623445515.db2.gz OLBHKUWSARPBHE-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681742 630851742 /nfs/dbraw/zinc/85/17/42/630851742.db2.gz BWVMCEREJPGFIJ-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CC[C@@]2(CCOC2)C1 ZINC000262012193 631754345 /nfs/dbraw/zinc/75/43/45/631754345.db2.gz WUVLMOZRUCRDRX-OAHLLOKOSA-N 2 1 280.416 0.768 20 30 CCEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CC[C@@]2(CCOC2)C1 ZINC000262012193 631754348 /nfs/dbraw/zinc/75/43/48/631754348.db2.gz WUVLMOZRUCRDRX-OAHLLOKOSA-N 2 1 280.416 0.768 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007343399 650074101 /nfs/dbraw/zinc/07/41/01/650074101.db2.gz AJCAMONFRQJHGU-LSDHHAIUSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007343399 650074105 /nfs/dbraw/zinc/07/41/05/650074105.db2.gz AJCAMONFRQJHGU-LSDHHAIUSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000985653299 632610318 /nfs/dbraw/zinc/61/03/18/632610318.db2.gz KZICBUNMVWEXPR-ZFWWWQNUSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000985653299 632610329 /nfs/dbraw/zinc/61/03/29/632610329.db2.gz KZICBUNMVWEXPR-ZFWWWQNUSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000985653299 632610336 /nfs/dbraw/zinc/61/03/36/632610336.db2.gz KZICBUNMVWEXPR-ZFWWWQNUSA-N 2 1 277.412 0.740 20 30 CCEDMP CN1CC[NH+]=C1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000262687810 632680385 /nfs/dbraw/zinc/68/03/85/632680385.db2.gz ZDCRMDVPNSRCID-UHFFFAOYSA-N 2 1 288.395 0.910 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989670018 633342535 /nfs/dbraw/zinc/34/25/35/633342535.db2.gz NMIIURNBSBSTNJ-UHFFFAOYSA-N 2 1 263.385 0.640 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989670018 633342542 /nfs/dbraw/zinc/34/25/42/633342542.db2.gz NMIIURNBSBSTNJ-UHFFFAOYSA-N 2 1 263.385 0.640 20 30 CCEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC000989707932 633347046 /nfs/dbraw/zinc/34/70/46/633347046.db2.gz KPOAVVBFEDESBK-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000989707932 633347054 /nfs/dbraw/zinc/34/70/54/633347054.db2.gz KPOAVVBFEDESBK-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000989707932 633347060 /nfs/dbraw/zinc/34/70/60/633347060.db2.gz KPOAVVBFEDESBK-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000989707932 633347064 /nfs/dbraw/zinc/34/70/64/633347064.db2.gz KPOAVVBFEDESBK-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000989707932 633347067 /nfs/dbraw/zinc/34/70/67/633347067.db2.gz KPOAVVBFEDESBK-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001008531232 650118408 /nfs/dbraw/zinc/11/84/08/650118408.db2.gz LHFQSTARTJTPCL-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001008531232 650118411 /nfs/dbraw/zinc/11/84/11/650118411.db2.gz LHFQSTARTJTPCL-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001008531232 650118415 /nfs/dbraw/zinc/11/84/15/650118415.db2.gz LHFQSTARTJTPCL-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001008531232 650118418 /nfs/dbraw/zinc/11/84/18/650118418.db2.gz LHFQSTARTJTPCL-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009507356 650145948 /nfs/dbraw/zinc/14/59/48/650145948.db2.gz GYXBRKPUFNOEQJ-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009507356 650145950 /nfs/dbraw/zinc/14/59/50/650145950.db2.gz GYXBRKPUFNOEQJ-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009507356 650145952 /nfs/dbraw/zinc/14/59/52/650145952.db2.gz GYXBRKPUFNOEQJ-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995588915 638779784 /nfs/dbraw/zinc/77/97/84/638779784.db2.gz MILLVLLADKOZNU-OLZOCXBDSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995588915 638779785 /nfs/dbraw/zinc/77/97/85/638779785.db2.gz MILLVLLADKOZNU-OLZOCXBDSA-N 2 1 281.400 0.330 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC000996301201 638815039 /nfs/dbraw/zinc/81/50/39/638815039.db2.gz RVSQZZDBJPCCTR-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001000920358 639194837 /nfs/dbraw/zinc/19/48/37/639194837.db2.gz UKBWQIGNZGLBOW-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001151002 639248255 /nfs/dbraw/zinc/24/82/55/639248255.db2.gz JSEYZIHZWJKSBR-GOEBONIOSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001151002 639248261 /nfs/dbraw/zinc/24/82/61/639248261.db2.gz JSEYZIHZWJKSBR-GOEBONIOSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001151002 639248267 /nfs/dbraw/zinc/24/82/67/639248267.db2.gz JSEYZIHZWJKSBR-GOEBONIOSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597517 650587332 /nfs/dbraw/zinc/58/73/32/650587332.db2.gz SZIWMSQZHIGAKZ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001015597517 650587337 /nfs/dbraw/zinc/58/73/37/650587337.db2.gz SZIWMSQZHIGAKZ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001015597517 650587342 /nfs/dbraw/zinc/58/73/42/650587342.db2.gz SZIWMSQZHIGAKZ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001015597517 650587347 /nfs/dbraw/zinc/58/73/47/650587347.db2.gz SZIWMSQZHIGAKZ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015706611 650612993 /nfs/dbraw/zinc/61/29/93/650612993.db2.gz QYSBEYQYWZRPEC-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015706611 650612995 /nfs/dbraw/zinc/61/29/95/650612995.db2.gz QYSBEYQYWZRPEC-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015706611 650612996 /nfs/dbraw/zinc/61/29/96/650612996.db2.gz QYSBEYQYWZRPEC-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015706611 650612997 /nfs/dbraw/zinc/61/29/97/650612997.db2.gz QYSBEYQYWZRPEC-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260435 650707974 /nfs/dbraw/zinc/70/79/74/650707974.db2.gz QKJZQLRCORSMPJ-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260435 650707975 /nfs/dbraw/zinc/70/79/75/650707975.db2.gz QKJZQLRCORSMPJ-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP N#CCCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849003177 643697859 /nfs/dbraw/zinc/69/78/59/643697859.db2.gz RIMGBBKFGOIREJ-UHFFFAOYSA-N 2 1 267.377 0.517 20 30 CCEDMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852872819 644035669 /nfs/dbraw/zinc/03/56/69/644035669.db2.gz RRIBZQIXVUADQJ-SWLSCSKDSA-N 2 1 275.396 0.588 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000863550858 645106861 /nfs/dbraw/zinc/10/68/61/645106861.db2.gz DHQGSHHQRAZDOZ-HZSPNIEDSA-N 2 1 279.384 0.494 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000863550858 645106865 /nfs/dbraw/zinc/10/68/65/645106865.db2.gz DHQGSHHQRAZDOZ-HZSPNIEDSA-N 2 1 279.384 0.494 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001020170185 651045891 /nfs/dbraw/zinc/04/58/91/651045891.db2.gz QOIMEXYHKDGLFY-FDYHWXHSSA-N 2 1 251.374 0.749 20 30 CCEDMP C[NH+]=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC(C)(C)C ZINC000303466695 649821308 /nfs/dbraw/zinc/82/13/08/649821308.db2.gz FKWNQNPDVMDVGT-VXGBXAGGSA-N 2 1 268.405 0.813 20 30 CCEDMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])N1CCOCC1 ZINC000303788022 649824892 /nfs/dbraw/zinc/82/48/92/649824892.db2.gz TUZSMBOGKQOJEX-ZDUSSCGKSA-N 2 1 268.405 0.898 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303791772 649825189 /nfs/dbraw/zinc/82/51/89/649825189.db2.gz XVPGYXAMLPUORR-UPJWGTAASA-N 2 1 286.420 0.425 20 30 CCEDMP C[C@@H](CNC(=[NH2+])N1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000303897944 649826568 /nfs/dbraw/zinc/82/65/68/649826568.db2.gz QWKCUKHDLQGOSF-OLZOCXBDSA-N 2 1 268.405 0.754 20 30 CCEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])NC(C)(C)C)CC1 ZINC000303973418 649827428 /nfs/dbraw/zinc/82/74/28/649827428.db2.gz GUVYRERDHGOZBX-UHFFFAOYSA-N 2 1 269.437 0.717 20 30 CCEDMP CN1CCC[N@H+](CCCNC(=[NH2+])NC(C)(C)C)CC1 ZINC000303973418 649827431 /nfs/dbraw/zinc/82/74/31/649827431.db2.gz GUVYRERDHGOZBX-UHFFFAOYSA-N 2 1 269.437 0.717 20 30 CCEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])NC(C)(C)C)CC1 ZINC000303973418 649827433 /nfs/dbraw/zinc/82/74/33/649827433.db2.gz GUVYRERDHGOZBX-UHFFFAOYSA-N 2 1 269.437 0.717 20 30 CCEDMP CC[N@@H+](CCNC(=[NH2+])NCCCN1CCOCC1)C1CC1 ZINC000303977109 649827546 /nfs/dbraw/zinc/82/75/46/649827546.db2.gz KYKIJNZYWCPMAJ-UHFFFAOYSA-N 2 1 297.447 0.097 20 30 CCEDMP CC(C)CNC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304765011 649838749 /nfs/dbraw/zinc/83/87/49/649838749.db2.gz YSBZMSJBQBYSPD-LBPRGKRZSA-N 2 1 256.394 0.515 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000305048274 649840804 /nfs/dbraw/zinc/84/08/04/649840804.db2.gz ZCNYNMBCNLVOIM-QWHCGFSZSA-N 2 1 270.421 0.904 20 30 CCEDMP C=CC[NH+]1CCN(c2cc3c(nn2)CC[NH2+]C3)CC1 ZINC001165032402 721868762 /nfs/dbraw/zinc/86/87/62/721868762.db2.gz QMECHPXVLXDONF-UHFFFAOYSA-N 2 1 259.357 0.430 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266284583 790403457 /nfs/dbraw/zinc/40/34/57/790403457.db2.gz HIBHKVHOCUSCKO-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266284583 790403461 /nfs/dbraw/zinc/40/34/61/790403461.db2.gz HIBHKVHOCUSCKO-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266284583 790403467 /nfs/dbraw/zinc/40/34/67/790403467.db2.gz HIBHKVHOCUSCKO-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266322660 790504815 /nfs/dbraw/zinc/50/48/15/790504815.db2.gz LGHKGCXCZHDLNA-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266322660 790504819 /nfs/dbraw/zinc/50/48/19/790504819.db2.gz LGHKGCXCZHDLNA-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001266412460 790656434 /nfs/dbraw/zinc/65/64/34/790656434.db2.gz UCLGQXQSJPNDPD-LSDHHAIUSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266429153 790688703 /nfs/dbraw/zinc/68/87/03/790688703.db2.gz ZIJJYFIKPCXHBE-UHFFFAOYSA-N 2 1 263.385 0.544 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266548584 790910342 /nfs/dbraw/zinc/91/03/42/790910342.db2.gz CREWZCJCPJUAOI-HUUCEWRRSA-N 2 1 295.427 0.579 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266548584 790910345 /nfs/dbraw/zinc/91/03/45/790910345.db2.gz CREWZCJCPJUAOI-HUUCEWRRSA-N 2 1 295.427 0.579 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266548584 790910353 /nfs/dbraw/zinc/91/03/53/790910353.db2.gz CREWZCJCPJUAOI-HUUCEWRRSA-N 2 1 295.427 0.579 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC=C)C1 ZINC001266691236 791145394 /nfs/dbraw/zinc/14/53/94/791145394.db2.gz ZULDFTUUHKYXAV-ZNMIVQPWSA-N 2 1 275.396 0.897 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC=C)C1 ZINC001266691236 791145397 /nfs/dbraw/zinc/14/53/97/791145397.db2.gz ZULDFTUUHKYXAV-ZNMIVQPWSA-N 2 1 275.396 0.897 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266894683 791324079 /nfs/dbraw/zinc/32/40/79/791324079.db2.gz JHSJNXLHRPKBAW-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267009511 791439876 /nfs/dbraw/zinc/43/98/76/791439876.db2.gz HTRNPWPREZDGRY-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001267215642 791686913 /nfs/dbraw/zinc/68/69/13/791686913.db2.gz NIOAGCZFEWHEOR-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038251897 793227738 /nfs/dbraw/zinc/22/77/38/793227738.db2.gz IYNHRVKEYOGWBH-UONOGXRCSA-N 2 1 263.385 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038251897 793227742 /nfs/dbraw/zinc/22/77/42/793227742.db2.gz IYNHRVKEYOGWBH-UONOGXRCSA-N 2 1 263.385 0.705 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235354183 806412229 /nfs/dbraw/zinc/41/22/29/806412229.db2.gz KPVLAZPSDVDRCA-CABCVRRESA-N 2 1 277.412 0.883 20 30 CCEDMP C=CCCCCC[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310295 806565928 /nfs/dbraw/zinc/56/59/28/806565928.db2.gz WMKLTBSJBHOVIR-UHFFFAOYSA-N 3 1 284.448 0.849 20 30 CCEDMP C=CCCCCC[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310295 806565931 /nfs/dbraw/zinc/56/59/31/806565931.db2.gz WMKLTBSJBHOVIR-UHFFFAOYSA-N 3 1 284.448 0.849 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001121915414 799092009 /nfs/dbraw/zinc/09/20/09/799092009.db2.gz DRAXZKIVBOAUCH-CQSZACIVSA-N 2 1 285.391 0.772 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001121915414 799092015 /nfs/dbraw/zinc/09/20/15/799092015.db2.gz DRAXZKIVBOAUCH-CQSZACIVSA-N 2 1 285.391 0.772 20 30 CCEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161206477 799881068 /nfs/dbraw/zinc/88/10/68/799881068.db2.gz JXCRARSFJYFPOC-HOCLYGCPSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161206477 799881077 /nfs/dbraw/zinc/88/10/77/799881077.db2.gz JXCRARSFJYFPOC-HOCLYGCPSA-N 2 1 289.423 0.956 20 30 CCEDMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001151146960 800404471 /nfs/dbraw/zinc/40/44/71/800404471.db2.gz ARHNLFWTAKRQNV-UHFFFAOYSA-N 2 1 297.362 0.969 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158487414 801658992 /nfs/dbraw/zinc/65/89/92/801658992.db2.gz ZFWOWLLROAHDJX-KBPBESRZSA-N 2 1 281.400 0.522 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158487417 801659009 /nfs/dbraw/zinc/65/90/09/801659009.db2.gz ZFWOWLLROAHDJX-ZIAGYGMSSA-N 2 1 281.400 0.522 20 30 CCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#CCOC ZINC001159335214 801794114 /nfs/dbraw/zinc/79/41/14/801794114.db2.gz VPBAYUVAQLMOOM-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001159725416 801854614 /nfs/dbraw/zinc/85/46/14/801854614.db2.gz INYIBYGNNGXQNN-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001159725416 801854618 /nfs/dbraw/zinc/85/46/18/801854618.db2.gz INYIBYGNNGXQNN-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159725416 801854624 /nfs/dbraw/zinc/85/46/24/801854624.db2.gz INYIBYGNNGXQNN-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159725416 801854628 /nfs/dbraw/zinc/85/46/28/801854628.db2.gz INYIBYGNNGXQNN-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP Cc1nc(C#N)cc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160519993 801960023 /nfs/dbraw/zinc/96/00/23/801960023.db2.gz OQVWPODGZRSPBQ-CQSZACIVSA-N 2 1 272.356 0.492 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161698793 802200924 /nfs/dbraw/zinc/20/09/24/802200924.db2.gz FEOBMCVWJXBRNK-UHFFFAOYSA-N 2 1 293.411 0.336 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001165270496 802809259 /nfs/dbraw/zinc/80/92/59/802809259.db2.gz DWKVLHCAWHODHG-CQSZACIVSA-N 2 1 288.395 0.873 20 30 CCEDMP Cn1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1C#N ZINC001205219500 803126860 /nfs/dbraw/zinc/12/68/60/803126860.db2.gz FJGPRAVNMKHPBB-AWEZNQCLSA-N 2 1 262.357 0.572 20 30 CCEDMP C[N@H+]1[C@@H]2C[C@@H](OCC[NH+]3CCCC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001206308442 803225666 /nfs/dbraw/zinc/22/56/66/803225666.db2.gz CNCSTRZAYFXKRL-KLLCGCCRSA-N 2 1 252.358 0.711 20 30 CCEDMP C[N@@H+]1[C@@H]2C[C@@H](OCC[NH+]3CCCC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001206308442 803225668 /nfs/dbraw/zinc/22/56/68/803225668.db2.gz CNCSTRZAYFXKRL-KLLCGCCRSA-N 2 1 252.358 0.711 20 30 CCEDMP C[NH+]1CCN(CCCO[C@H](CC#N)C[N+](C)(C)C)CC1 ZINC001206589324 803272331 /nfs/dbraw/zinc/27/23/31/803272331.db2.gz DWKKIYKDULKULU-OAHLLOKOSA-N 2 1 283.440 0.629 20 30 CCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206929227 803310452 /nfs/dbraw/zinc/31/04/52/803310452.db2.gz ZVPJUQLQJLVMOA-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206928719 803311265 /nfs/dbraw/zinc/31/12/65/803311265.db2.gz GQNBUXPUCBGKEU-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447874 803514087 /nfs/dbraw/zinc/51/40/87/803514087.db2.gz QERGKBYUVDDBMB-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494302 803518797 /nfs/dbraw/zinc/51/87/97/803518797.db2.gz OUGVVNAYDAVYFZ-ZIAGYGMSSA-N 2 1 283.416 0.577 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211276608 803675911 /nfs/dbraw/zinc/67/59/11/803675911.db2.gz IFBZZFQEZPSMTH-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213347870 803691488 /nfs/dbraw/zinc/69/14/88/803691488.db2.gz BRLIHOXUYHVFLC-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213769107 803703483 /nfs/dbraw/zinc/70/34/83/803703483.db2.gz IURMITJXFCDUAK-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213769107 803703487 /nfs/dbraw/zinc/70/34/87/803703487.db2.gz IURMITJXFCDUAK-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213769107 803703492 /nfs/dbraw/zinc/70/34/92/803703492.db2.gz IURMITJXFCDUAK-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213769107 803703496 /nfs/dbraw/zinc/70/34/96/803703496.db2.gz IURMITJXFCDUAK-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP N#Cc1ccc([C@H](O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000402166565 803815529 /nfs/dbraw/zinc/81/55/29/803815529.db2.gz RVCPUHYUCFVQIB-SOUVJXGZSA-N 2 1 257.337 0.743 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216750060 803852588 /nfs/dbraw/zinc/85/25/88/803852588.db2.gz NMVJNEJIANTTBK-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216750059 803853400 /nfs/dbraw/zinc/85/34/00/803853400.db2.gz NMVJNEJIANTTBK-QLFBSQMISA-N 2 1 295.427 0.577 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001225167869 805111665 /nfs/dbraw/zinc/11/16/65/805111665.db2.gz DNQQFYJNINWANI-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001277299314 805445214 /nfs/dbraw/zinc/44/52/14/805445214.db2.gz PWGCAVDHQGTOMV-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC#CC[NH+](C)C ZINC001229487496 805538023 /nfs/dbraw/zinc/53/80/23/805538023.db2.gz BBBVSOSFTSZPNN-ZDUSSCGKSA-N 2 1 268.405 0.579 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001278411331 807088067 /nfs/dbraw/zinc/08/80/67/807088067.db2.gz UAVPYGIYAAJSHH-OAHLLOKOSA-N 2 1 274.368 0.795 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001278411331 807088075 /nfs/dbraw/zinc/08/80/75/807088075.db2.gz UAVPYGIYAAJSHH-OAHLLOKOSA-N 2 1 274.368 0.795 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001088749727 815127948 /nfs/dbraw/zinc/12/79/48/815127948.db2.gz LNBXEBVWADVREM-OLZOCXBDSA-N 2 1 262.357 0.957 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001088749727 815127953 /nfs/dbraw/zinc/12/79/53/815127953.db2.gz LNBXEBVWADVREM-OLZOCXBDSA-N 2 1 262.357 0.957 20 30 CCEDMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCC#CC[NH+](C)C ZINC001251708652 807696610 /nfs/dbraw/zinc/69/66/10/807696610.db2.gz VXPJVRAQCIFNCX-CQSZACIVSA-N 2 1 280.416 0.535 20 30 CCEDMP C=C[C@](C)(O)C[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001252552013 807907855 /nfs/dbraw/zinc/90/78/55/807907855.db2.gz FWPXTBLRAWUHCF-OAGGEKHMSA-N 2 1 298.427 0.593 20 30 CCEDMP C=C[C@](C)(O)C[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001252552013 807907858 /nfs/dbraw/zinc/90/78/58/807907858.db2.gz FWPXTBLRAWUHCF-OAGGEKHMSA-N 2 1 298.427 0.593 20 30 CCEDMP C=C[C@](C)(O)C[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001252552013 807907861 /nfs/dbraw/zinc/90/78/61/807907861.db2.gz FWPXTBLRAWUHCF-OAGGEKHMSA-N 2 1 298.427 0.593 20 30 CCEDMP C=CCC[C@@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252603335 807918717 /nfs/dbraw/zinc/91/87/17/807918717.db2.gz SXSNXRIDDFUIBZ-CQSZACIVSA-N 2 1 283.416 0.409 20 30 CCEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001278827616 808298773 /nfs/dbraw/zinc/29/87/73/808298773.db2.gz OVCVQHIJUFXMRS-HOCLYGCPSA-N 2 1 295.427 0.457 20 30 CCEDMP CC[C@@H](CC#N)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC ZINC001255155115 808324580 /nfs/dbraw/zinc/32/45/80/808324580.db2.gz LSPFQEGFPPWXON-UWVGGRQHSA-N 2 1 269.349 0.073 20 30 CCEDMP C#CC[N@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001278918090 808476349 /nfs/dbraw/zinc/47/63/49/808476349.db2.gz MJZVHDKTZAKBEQ-UHFFFAOYSA-N 2 1 253.390 0.740 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001264693092 809671627 /nfs/dbraw/zinc/67/16/27/809671627.db2.gz CXRYTWNUXZNFLY-ILXRZTDVSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001264693092 809671630 /nfs/dbraw/zinc/67/16/30/809671630.db2.gz CXRYTWNUXZNFLY-ILXRZTDVSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001264693092 809671632 /nfs/dbraw/zinc/67/16/32/809671632.db2.gz CXRYTWNUXZNFLY-ILXRZTDVSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001265311876 809755059 /nfs/dbraw/zinc/75/50/59/809755059.db2.gz CCTDZUQZLNZDJZ-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(C)C ZINC001265786803 809852800 /nfs/dbraw/zinc/85/28/00/809852800.db2.gz VJNYLTLVCWVTJJ-KBPBESRZSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(C)C ZINC001265786803 809852806 /nfs/dbraw/zinc/85/28/06/809852806.db2.gz VJNYLTLVCWVTJJ-KBPBESRZSA-N 2 1 265.401 0.834 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266120435 809938910 /nfs/dbraw/zinc/93/89/10/809938910.db2.gz ZCGKAEBWQVMHER-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266120435 809938920 /nfs/dbraw/zinc/93/89/20/809938920.db2.gz ZCGKAEBWQVMHER-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266120435 809938925 /nfs/dbraw/zinc/93/89/25/809938925.db2.gz ZCGKAEBWQVMHER-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001267305343 811125478 /nfs/dbraw/zinc/12/54/78/811125478.db2.gz JZIFAHODDIJDKZ-ZDUSSCGKSA-N 2 1 260.341 0.263 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001267305343 811125481 /nfs/dbraw/zinc/12/54/81/811125481.db2.gz JZIFAHODDIJDKZ-ZDUSSCGKSA-N 2 1 260.341 0.263 20 30 CCEDMP C=C(C)C[NH2+]CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001267441499 811308049 /nfs/dbraw/zinc/30/80/49/811308049.db2.gz RBCFSIMZWZKAPY-UHFFFAOYSA-N 2 1 269.389 0.333 20 30 CCEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001077131946 815449448 /nfs/dbraw/zinc/44/94/48/815449448.db2.gz MYWQIYPIQXTXPU-RBSFLKMASA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077131946 815449450 /nfs/dbraw/zinc/44/94/50/815449450.db2.gz MYWQIYPIQXTXPU-RBSFLKMASA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077131946 815449454 /nfs/dbraw/zinc/44/94/54/815449454.db2.gz MYWQIYPIQXTXPU-RBSFLKMASA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077131946 815449458 /nfs/dbraw/zinc/44/94/58/815449458.db2.gz MYWQIYPIQXTXPU-RBSFLKMASA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[N@H+](C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267604380 811532966 /nfs/dbraw/zinc/53/29/66/811532966.db2.gz OOMNSBUNUJGRNC-UHFFFAOYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001203208167 811556330 /nfs/dbraw/zinc/55/63/30/811556330.db2.gz DOQKQENCAKCLRV-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001267633720 811593116 /nfs/dbraw/zinc/59/31/16/811593116.db2.gz LOXHRGPLJXYRRC-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001267633720 811593106 /nfs/dbraw/zinc/59/31/06/811593106.db2.gz LOXHRGPLJXYRRC-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001267633720 811593112 /nfs/dbraw/zinc/59/31/12/811593112.db2.gz LOXHRGPLJXYRRC-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001267633720 811593123 /nfs/dbraw/zinc/59/31/23/811593123.db2.gz LOXHRGPLJXYRRC-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001267864327 811843941 /nfs/dbraw/zinc/84/39/41/811843941.db2.gz BJSCJULGZVXZCF-CJNGLKHVSA-N 2 1 277.412 0.836 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027886852 812119045 /nfs/dbraw/zinc/11/90/45/812119045.db2.gz YTGCHCOFZATHOH-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966612 812172978 /nfs/dbraw/zinc/17/29/78/812172978.db2.gz RWOBVUSBATZANF-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966612 812172984 /nfs/dbraw/zinc/17/29/84/812172984.db2.gz RWOBVUSBATZANF-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966612 812172992 /nfs/dbraw/zinc/17/29/92/812172992.db2.gz RWOBVUSBATZANF-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966612 812172994 /nfs/dbraw/zinc/17/29/94/812172994.db2.gz RWOBVUSBATZANF-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001028094287 812272536 /nfs/dbraw/zinc/27/25/36/812272536.db2.gz WRKFACYWJUYNPD-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028094287 812272542 /nfs/dbraw/zinc/27/25/42/812272542.db2.gz WRKFACYWJUYNPD-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028094287 812272547 /nfs/dbraw/zinc/27/25/47/812272547.db2.gz WRKFACYWJUYNPD-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028116124 812289234 /nfs/dbraw/zinc/28/92/34/812289234.db2.gz CLPJXBILFNZBPG-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001028330074 812625671 /nfs/dbraw/zinc/62/56/71/812625671.db2.gz XJIYUWYMAYTVLD-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001028330074 812625675 /nfs/dbraw/zinc/62/56/75/812625675.db2.gz XJIYUWYMAYTVLD-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028330074 812625679 /nfs/dbraw/zinc/62/56/79/812625679.db2.gz XJIYUWYMAYTVLD-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028330074 812625684 /nfs/dbraw/zinc/62/56/84/812625684.db2.gz XJIYUWYMAYTVLD-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028624302 812988634 /nfs/dbraw/zinc/98/86/34/812988634.db2.gz VZACFKDWQTUQTN-HNNXBMFYSA-N 2 1 289.423 0.934 20 30 CCEDMP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268699688 813018950 /nfs/dbraw/zinc/01/89/50/813018950.db2.gz RXSNYNFNBDAOEL-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCOCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001268906732 813140136 /nfs/dbraw/zinc/14/01/36/813140136.db2.gz VJFDQSQWVULCQJ-CQSZACIVSA-N 2 1 281.400 0.189 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC)C1CC1 ZINC001269080049 813207120 /nfs/dbraw/zinc/20/71/20/813207120.db2.gz XETNBDPXHWODMH-GJZGRUSLSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC)C1CC1 ZINC001269080049 813207122 /nfs/dbraw/zinc/20/71/22/813207122.db2.gz XETNBDPXHWODMH-GJZGRUSLSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269084518 813209979 /nfs/dbraw/zinc/20/99/79/813209979.db2.gz VMKIPMSKGFKCHO-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269084518 813209982 /nfs/dbraw/zinc/20/99/82/813209982.db2.gz VMKIPMSKGFKCHO-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001269510643 813397998 /nfs/dbraw/zinc/39/79/98/813397998.db2.gz RXJQSWHUTBNQSD-OLZOCXBDSA-N 2 1 251.374 0.446 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028931911 813671112 /nfs/dbraw/zinc/67/11/12/813671112.db2.gz ZIQXTJYILQPVCX-CQSZACIVSA-N 2 1 275.396 0.544 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC=C)C2)CC1 ZINC001029001674 813744953 /nfs/dbraw/zinc/74/49/53/813744953.db2.gz CBDBNTQSWOYYBN-OAHLLOKOSA-N 2 1 289.423 0.956 20 30 CCEDMP C=CCOCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001270614511 813839174 /nfs/dbraw/zinc/83/91/74/813839174.db2.gz GRWMZKKYSQMTDK-ZBFHGGJFSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001270614511 813839179 /nfs/dbraw/zinc/83/91/79/813839179.db2.gz GRWMZKKYSQMTDK-ZBFHGGJFSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001270614511 813839192 /nfs/dbraw/zinc/83/91/92/813839192.db2.gz GRWMZKKYSQMTDK-ZBFHGGJFSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087621659 814178264 /nfs/dbraw/zinc/17/82/64/814178264.db2.gz DMCCCXGDPMIBII-LXTVHRRPSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087621659 814178267 /nfs/dbraw/zinc/17/82/67/814178267.db2.gz DMCCCXGDPMIBII-LXTVHRRPSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087621659 814178274 /nfs/dbraw/zinc/17/82/74/814178274.db2.gz DMCCCXGDPMIBII-LXTVHRRPSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087621659 814178279 /nfs/dbraw/zinc/17/82/79/814178279.db2.gz DMCCCXGDPMIBII-LXTVHRRPSA-N 2 1 295.427 0.861 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087909102 814268610 /nfs/dbraw/zinc/26/86/10/814268610.db2.gz YPPIHUCJFJWYQK-ILXRZTDVSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087909102 814268615 /nfs/dbraw/zinc/26/86/15/814268615.db2.gz YPPIHUCJFJWYQK-ILXRZTDVSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087909102 814268621 /nfs/dbraw/zinc/26/86/21/814268621.db2.gz YPPIHUCJFJWYQK-ILXRZTDVSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC#C)CC[C@@H]2C1 ZINC001087997872 814306651 /nfs/dbraw/zinc/30/66/51/814306651.db2.gz DKYXWCRQAISYJZ-IKGGRYGDSA-N 2 1 299.418 0.498 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC#C)CC[C@@H]2C1 ZINC001087997872 814306655 /nfs/dbraw/zinc/30/66/55/814306655.db2.gz DKYXWCRQAISYJZ-IKGGRYGDSA-N 2 1 299.418 0.498 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC#C)CC[C@@H]2C1 ZINC001087997872 814306660 /nfs/dbraw/zinc/30/66/60/814306660.db2.gz DKYXWCRQAISYJZ-IKGGRYGDSA-N 2 1 299.418 0.498 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC#C)CC[C@@H]2C1 ZINC001087997872 814306671 /nfs/dbraw/zinc/30/66/71/814306671.db2.gz DKYXWCRQAISYJZ-IKGGRYGDSA-N 2 1 299.418 0.498 20 30 CCEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001271820260 814594686 /nfs/dbraw/zinc/59/46/86/814594686.db2.gz AGQHTCXMMSYWBB-ZIAGYGMSSA-N 2 1 283.416 0.624 20 30 CCEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001271820260 814594691 /nfs/dbraw/zinc/59/46/91/814594691.db2.gz AGQHTCXMMSYWBB-ZIAGYGMSSA-N 2 1 283.416 0.624 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001088494883 814744705 /nfs/dbraw/zinc/74/47/05/814744705.db2.gz RPNVMRTZSQTVSI-HZSPNIEDSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001088494883 814744707 /nfs/dbraw/zinc/74/47/07/814744707.db2.gz RPNVMRTZSQTVSI-HZSPNIEDSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088494883 814744710 /nfs/dbraw/zinc/74/47/10/814744710.db2.gz RPNVMRTZSQTVSI-HZSPNIEDSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001088494883 814744712 /nfs/dbraw/zinc/74/47/12/814744712.db2.gz RPNVMRTZSQTVSI-HZSPNIEDSA-N 2 1 263.385 0.683 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001030955126 816497634 /nfs/dbraw/zinc/49/76/34/816497634.db2.gz DZENXRWIZBLBSZ-GFCCVEGCSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001030955126 816497638 /nfs/dbraw/zinc/49/76/38/816497638.db2.gz DZENXRWIZBLBSZ-GFCCVEGCSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001046567805 816636833 /nfs/dbraw/zinc/63/68/33/816636833.db2.gz LEAXNSFPOSIRTI-HOCLYGCPSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046567805 816636836 /nfs/dbraw/zinc/63/68/36/816636836.db2.gz LEAXNSFPOSIRTI-HOCLYGCPSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046567805 816636840 /nfs/dbraw/zinc/63/68/40/816636840.db2.gz LEAXNSFPOSIRTI-HOCLYGCPSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567805 816636846 /nfs/dbraw/zinc/63/68/46/816636846.db2.gz LEAXNSFPOSIRTI-HOCLYGCPSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047626897 817807827 /nfs/dbraw/zinc/80/78/27/817807827.db2.gz IHLNKRWYNRBFRW-RDBSUJKOSA-N 2 1 281.400 0.018 20 30 CCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047626897 817807836 /nfs/dbraw/zinc/80/78/36/817807836.db2.gz IHLNKRWYNRBFRW-RDBSUJKOSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127786365 817869361 /nfs/dbraw/zinc/86/93/61/817869361.db2.gz YXCSXGMJKRWSOQ-KBPBESRZSA-N 2 1 281.400 0.522 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033415907 818763940 /nfs/dbraw/zinc/76/39/40/818763940.db2.gz MJUBZTHPFFADIO-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033415907 818763944 /nfs/dbraw/zinc/76/39/44/818763944.db2.gz MJUBZTHPFFADIO-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033415907 818763947 /nfs/dbraw/zinc/76/39/47/818763947.db2.gz MJUBZTHPFFADIO-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033415907 818763952 /nfs/dbraw/zinc/76/39/52/818763952.db2.gz MJUBZTHPFFADIO-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001033672879 818879918 /nfs/dbraw/zinc/87/99/18/818879918.db2.gz SUVZTFOURYNCJW-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001033672879 818879926 /nfs/dbraw/zinc/87/99/26/818879926.db2.gz SUVZTFOURYNCJW-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033672879 818879930 /nfs/dbraw/zinc/87/99/30/818879930.db2.gz SUVZTFOURYNCJW-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033672879 818879936 /nfs/dbraw/zinc/87/99/36/818879936.db2.gz SUVZTFOURYNCJW-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034395638 819193972 /nfs/dbraw/zinc/19/39/72/819193972.db2.gz AKGMAXUOUCJITB-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034395638 819193975 /nfs/dbraw/zinc/19/39/75/819193975.db2.gz AKGMAXUOUCJITB-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034395638 819193979 /nfs/dbraw/zinc/19/39/79/819193979.db2.gz AKGMAXUOUCJITB-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2cnc[nH]2)CC1 ZINC001034744002 819316308 /nfs/dbraw/zinc/31/63/08/819316308.db2.gz GVPGVMWXLMNEEX-HAQNSBGRSA-N 2 1 260.341 0.602 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035503160 819543174 /nfs/dbraw/zinc/54/31/74/819543174.db2.gz SUQINYZCHLMZLE-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035503160 819543177 /nfs/dbraw/zinc/54/31/77/819543177.db2.gz SUQINYZCHLMZLE-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035492574 819547838 /nfs/dbraw/zinc/54/78/38/819547838.db2.gz NULDORZTPRFDSG-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035492574 819547842 /nfs/dbraw/zinc/54/78/42/819547842.db2.gz NULDORZTPRFDSG-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035852242 819632588 /nfs/dbraw/zinc/63/25/88/819632588.db2.gz RWPURKWMXMZJOK-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCN1CC[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273144422 819895169 /nfs/dbraw/zinc/89/51/69/819895169.db2.gz PUVLHYTTYJVXGV-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCN1CC[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144422 819895178 /nfs/dbraw/zinc/89/51/78/819895178.db2.gz PUVLHYTTYJVXGV-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCN1CC[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144422 819895187 /nfs/dbraw/zinc/89/51/87/819895187.db2.gz PUVLHYTTYJVXGV-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182428 820088586 /nfs/dbraw/zinc/08/85/86/820088586.db2.gz HVOCMWXXLINQGQ-OAHLLOKOSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182428 820088594 /nfs/dbraw/zinc/08/85/94/820088594.db2.gz HVOCMWXXLINQGQ-OAHLLOKOSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079527872 820413855 /nfs/dbraw/zinc/41/38/55/820413855.db2.gz ISVXLHUIADCTAN-MCIONIFRSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079527872 820413859 /nfs/dbraw/zinc/41/38/59/820413859.db2.gz ISVXLHUIADCTAN-MCIONIFRSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079527872 820413861 /nfs/dbraw/zinc/41/38/61/820413861.db2.gz ISVXLHUIADCTAN-MCIONIFRSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079527872 820413863 /nfs/dbraw/zinc/41/38/63/820413863.db2.gz ISVXLHUIADCTAN-MCIONIFRSA-N 2 1 281.400 0.330 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951412 820492057 /nfs/dbraw/zinc/49/20/57/820492057.db2.gz LNZUSEFGHLYIME-KBUPBQIOSA-N 2 1 293.411 0.165 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951412 820492060 /nfs/dbraw/zinc/49/20/60/820492060.db2.gz LNZUSEFGHLYIME-KBUPBQIOSA-N 2 1 293.411 0.165 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079951412 820492062 /nfs/dbraw/zinc/49/20/62/820492062.db2.gz LNZUSEFGHLYIME-KBUPBQIOSA-N 2 1 293.411 0.165 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079951412 820492065 /nfs/dbraw/zinc/49/20/65/820492065.db2.gz LNZUSEFGHLYIME-KBUPBQIOSA-N 2 1 293.411 0.165 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001080449467 820573845 /nfs/dbraw/zinc/57/38/45/820573845.db2.gz MGJIPZFKIFXNJP-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001080449467 820573848 /nfs/dbraw/zinc/57/38/48/820573848.db2.gz MGJIPZFKIFXNJP-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080449467 820573854 /nfs/dbraw/zinc/57/38/54/820573854.db2.gz MGJIPZFKIFXNJP-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001082741193 821029235 /nfs/dbraw/zinc/02/92/35/821029235.db2.gz SFAYARBDCCHOQR-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001279160275 821155231 /nfs/dbraw/zinc/15/52/31/821155231.db2.gz BWHYNNBGJVBKIT-LSDHHAIUSA-N 2 1 293.411 0.026 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085093099 821492992 /nfs/dbraw/zinc/49/29/92/821492992.db2.gz GLKONVPOONVQIY-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085093099 821492996 /nfs/dbraw/zinc/49/29/96/821492996.db2.gz GLKONVPOONVQIY-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085093099 821492999 /nfs/dbraw/zinc/49/29/99/821492999.db2.gz GLKONVPOONVQIY-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086270567 822181913 /nfs/dbraw/zinc/18/19/13/822181913.db2.gz KFESHPYURVMYCL-MCIONIFRSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001086478779 822274491 /nfs/dbraw/zinc/27/44/91/822274491.db2.gz ZMGQXNLJQYDZTP-XDQVBPFNSA-N 2 1 263.385 0.302 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129421650 837504396 /nfs/dbraw/zinc/50/43/96/837504396.db2.gz BANGMVNBHBFHIY-AWEZNQCLSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCCCC ZINC001129791076 837556208 /nfs/dbraw/zinc/55/62/08/837556208.db2.gz QQHZUJREBNRYSR-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCCCC ZINC001129791076 837556217 /nfs/dbraw/zinc/55/62/17/837556217.db2.gz QQHZUJREBNRYSR-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169992577 836653900 /nfs/dbraw/zinc/65/39/00/836653900.db2.gz XFXHYXUZHVUQSW-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169992577 836653902 /nfs/dbraw/zinc/65/39/02/836653902.db2.gz XFXHYXUZHVUQSW-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672850 836713447 /nfs/dbraw/zinc/71/34/47/836713447.db2.gz WGACFMCWVZMQEE-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C=CCCC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273487732 844257991 /nfs/dbraw/zinc/25/79/91/844257991.db2.gz PDIXJTSMHQXSEF-UHFFFAOYSA-N 2 1 281.400 0.427 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086665287 838053308 /nfs/dbraw/zinc/05/33/08/838053308.db2.gz ZYAKXORNLKIDOZ-RRFJBIMHSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086665287 838053323 /nfs/dbraw/zinc/05/33/23/838053323.db2.gz ZYAKXORNLKIDOZ-RRFJBIMHSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132424314 838389656 /nfs/dbraw/zinc/38/96/56/838389656.db2.gz FBHFWEYAOPNXFG-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001133000721 838531541 /nfs/dbraw/zinc/53/15/41/838531541.db2.gz IWDZTFPZIWVJKF-LBPRGKRZSA-N 2 1 262.357 0.646 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133850610 838738736 /nfs/dbraw/zinc/73/87/36/838738736.db2.gz OFNQALQWKHCFMN-CQSZACIVSA-N 2 1 269.364 0.538 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133862604 838753740 /nfs/dbraw/zinc/75/37/40/838753740.db2.gz DPFKCMTWYSLTGK-CHWSQXEVSA-N 2 1 253.390 0.856 20 30 CCEDMP C=CC[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134566028 839010046 /nfs/dbraw/zinc/01/00/46/839010046.db2.gz FIARYJAQZPSBTQ-UHFFFAOYSA-N 2 1 250.346 0.898 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086731967 839194071 /nfs/dbraw/zinc/19/40/71/839194071.db2.gz NPNSQWLKMVCGRI-LXTVHRRPSA-N 2 1 293.411 0.213 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086731967 839194076 /nfs/dbraw/zinc/19/40/76/839194076.db2.gz NPNSQWLKMVCGRI-LXTVHRRPSA-N 2 1 293.411 0.213 20 30 CCEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086731882 839194136 /nfs/dbraw/zinc/19/41/36/839194136.db2.gz HXJWVYAZAWYCCE-LXTVHRRPSA-N 2 1 295.427 0.766 20 30 CCEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086731882 839194140 /nfs/dbraw/zinc/19/41/40/839194140.db2.gz HXJWVYAZAWYCCE-LXTVHRRPSA-N 2 1 295.427 0.766 20 30 CCEDMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC#CCOC ZINC001135437459 839250881 /nfs/dbraw/zinc/25/08/81/839250881.db2.gz UQGWRTORPFNCEL-UHFFFAOYSA-N 2 1 297.443 0.854 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650094 844441903 /nfs/dbraw/zinc/44/19/03/844441903.db2.gz CJIHCMNLFCKZJZ-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808318 839826916 /nfs/dbraw/zinc/82/69/16/839826916.db2.gz JARAUKKMELDILS-UONOGXRCSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808318 839826925 /nfs/dbraw/zinc/82/69/25/839826925.db2.gz JARAUKKMELDILS-UONOGXRCSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086873759 840934180 /nfs/dbraw/zinc/93/41/80/840934180.db2.gz YNDBVKGMZWUTAZ-BFHYXJOUSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091984807 840980760 /nfs/dbraw/zinc/98/07/60/840980760.db2.gz DMRFQLIIXVFLQV-INMHGKMJSA-N 2 1 291.439 0.986 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)[C@H](C)C1 ZINC001092521720 841032278 /nfs/dbraw/zinc/03/22/78/841032278.db2.gz CDHFHGIBEXNDEE-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521720 841032282 /nfs/dbraw/zinc/03/22/82/841032282.db2.gz CDHFHGIBEXNDEE-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521720 841032291 /nfs/dbraw/zinc/03/22/91/841032291.db2.gz CDHFHGIBEXNDEE-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092521720 841032300 /nfs/dbraw/zinc/03/23/00/841032300.db2.gz CDHFHGIBEXNDEE-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092521720 841032320 /nfs/dbraw/zinc/03/23/20/841032320.db2.gz CDHFHGIBEXNDEE-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036811352 841244052 /nfs/dbraw/zinc/24/40/52/841244052.db2.gz PJEPADWMDBORKW-HOTGVXAUSA-N 2 1 289.423 0.884 20 30 CCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072177 842308057 /nfs/dbraw/zinc/30/80/57/842308057.db2.gz MOWFLOKQJJDHAY-NSHDSACASA-N 2 1 259.781 0.787 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179925275 843082014 /nfs/dbraw/zinc/08/20/14/843082014.db2.gz OAGMNGKATQUEAO-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189400933 845131292 /nfs/dbraw/zinc/13/12/92/845131292.db2.gz QONNSNJGQRZZCM-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189400933 845131294 /nfs/dbraw/zinc/13/12/94/845131294.db2.gz QONNSNJGQRZZCM-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189400933 845131296 /nfs/dbraw/zinc/13/12/96/845131296.db2.gz QONNSNJGQRZZCM-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193500039 846086411 /nfs/dbraw/zinc/08/64/11/846086411.db2.gz OOLAWPFIFBOSPG-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002294 846202370 /nfs/dbraw/zinc/20/23/70/846202370.db2.gz QSXPFAIFBRUMCC-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039217 846201473 /nfs/dbraw/zinc/20/14/73/846201473.db2.gz LSZZPPMAOCAHBH-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002294 846202357 /nfs/dbraw/zinc/20/23/57/846202357.db2.gz QSXPFAIFBRUMCC-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002294 846202344 /nfs/dbraw/zinc/20/23/44/846202344.db2.gz QSXPFAIFBRUMCC-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194038363 846202726 /nfs/dbraw/zinc/20/27/26/846202726.db2.gz KGALJEMXLNJTBE-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CC[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001273709953 846656636 /nfs/dbraw/zinc/65/66/36/846656636.db2.gz DFMAFNYORTWCEW-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493642 846927330 /nfs/dbraw/zinc/92/73/30/846927330.db2.gz VVFNFGJNIQARIR-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493642 846927338 /nfs/dbraw/zinc/92/73/38/846927338.db2.gz VVFNFGJNIQARIR-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493642 846927343 /nfs/dbraw/zinc/92/73/43/846927343.db2.gz VVFNFGJNIQARIR-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N1CCCN(CC#CCOC)CC1 ZINC001197913615 847002433 /nfs/dbraw/zinc/00/24/33/847002433.db2.gz BAOPVQYQOGCYMW-UHFFFAOYSA-N 2 1 295.427 0.512 20 30 CCEDMP CCC[N@H+](C)CC(=O)N1CCC[NH+](CC#CCOC)CC1 ZINC001197913615 847002442 /nfs/dbraw/zinc/00/24/42/847002442.db2.gz BAOPVQYQOGCYMW-UHFFFAOYSA-N 2 1 295.427 0.512 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N1CCC[NH+](CC#CCOC)CC1 ZINC001197913615 847002454 /nfs/dbraw/zinc/00/24/54/847002454.db2.gz BAOPVQYQOGCYMW-UHFFFAOYSA-N 2 1 295.427 0.512 20 30 CCEDMP CCC[NH+](C)CC(=O)N1CCC[N@H+](CC#CCOC)CC1 ZINC001197913615 847002462 /nfs/dbraw/zinc/00/24/62/847002462.db2.gz BAOPVQYQOGCYMW-UHFFFAOYSA-N 2 1 295.427 0.512 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCC ZINC001275184931 848659238 /nfs/dbraw/zinc/65/92/38/848659238.db2.gz JYKBKMTVEHJVLO-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCC ZINC001275184931 848659242 /nfs/dbraw/zinc/65/92/42/848659242.db2.gz JYKBKMTVEHJVLO-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP CC#CCN(C)[C@H](C)CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001275865361 848850810 /nfs/dbraw/zinc/85/08/10/848850810.db2.gz JATNOCQJWCWOKB-ZIAGYGMSSA-N 2 1 288.395 0.905 20 30 CCEDMP C#CCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001275978146 848881009 /nfs/dbraw/zinc/88/10/09/848881009.db2.gz KIRQJMUYPRVICA-CABCVRRESA-N 2 1 265.401 0.346 20 30 CCEDMP C=CCC[C@@H](C)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC ZINC001258718612 849439980 /nfs/dbraw/zinc/43/99/80/849439980.db2.gz RYBLAESCXYNKNC-MNOVXSKESA-N 2 1 270.377 0.736 20 30 CCEDMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]([NH3+])CCCC#N ZINC000720886973 849559451 /nfs/dbraw/zinc/55/94/51/849559451.db2.gz HTXNFQXPRRYZII-JHJVBQTASA-N 2 1 264.373 0.703 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038269436 849833888 /nfs/dbraw/zinc/83/38/88/849833888.db2.gz PJYDYSDOYNNUCF-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038269436 849833898 /nfs/dbraw/zinc/83/38/98/849833898.db2.gz PJYDYSDOYNNUCF-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001038269436 849833903 /nfs/dbraw/zinc/83/39/03/849833903.db2.gz PJYDYSDOYNNUCF-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001038269436 849833911 /nfs/dbraw/zinc/83/39/11/849833911.db2.gz PJYDYSDOYNNUCF-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041828867 850506148 /nfs/dbraw/zinc/50/61/48/850506148.db2.gz JKSKANJXVVXEDH-ZBFHGGJFSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041828867 850506159 /nfs/dbraw/zinc/50/61/59/850506159.db2.gz JKSKANJXVVXEDH-ZBFHGGJFSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041828867 850506172 /nfs/dbraw/zinc/50/61/72/850506172.db2.gz JKSKANJXVVXEDH-ZBFHGGJFSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042356923 850619826 /nfs/dbraw/zinc/61/98/26/850619826.db2.gz JLVYKNPFCPATEW-HUUCEWRRSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001096012583 851220312 /nfs/dbraw/zinc/22/03/12/851220312.db2.gz RUVIXAQWOQSJRD-KBXIAJHMSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001096012583 851220314 /nfs/dbraw/zinc/22/03/14/851220314.db2.gz RUVIXAQWOQSJRD-KBXIAJHMSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001096012583 851220318 /nfs/dbraw/zinc/22/03/18/851220318.db2.gz RUVIXAQWOQSJRD-KBXIAJHMSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001096012583 851220321 /nfs/dbraw/zinc/22/03/21/851220321.db2.gz RUVIXAQWOQSJRD-KBXIAJHMSA-N 2 1 275.396 0.825 20 30 CCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046833254 851625038 /nfs/dbraw/zinc/62/50/38/851625038.db2.gz DXNMQWPHXQZFJV-OCCSQVGLSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046833254 851625044 /nfs/dbraw/zinc/62/50/44/851625044.db2.gz DXNMQWPHXQZFJV-OCCSQVGLSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046833254 851625052 /nfs/dbraw/zinc/62/50/52/851625052.db2.gz DXNMQWPHXQZFJV-OCCSQVGLSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046846356 851627004 /nfs/dbraw/zinc/62/70/04/851627004.db2.gz UDWFZDIEMKJURL-GOEBONIOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046846356 851627011 /nfs/dbraw/zinc/62/70/11/851627011.db2.gz UDWFZDIEMKJURL-GOEBONIOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046846356 851627019 /nfs/dbraw/zinc/62/70/19/851627019.db2.gz UDWFZDIEMKJURL-GOEBONIOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046846356 851627024 /nfs/dbraw/zinc/62/70/24/851627024.db2.gz UDWFZDIEMKJURL-GOEBONIOSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723338 852031938 /nfs/dbraw/zinc/03/19/38/852031938.db2.gz CBJMWDITTJJNSZ-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048723338 852031942 /nfs/dbraw/zinc/03/19/42/852031942.db2.gz CBJMWDITTJJNSZ-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048723338 852031946 /nfs/dbraw/zinc/03/19/46/852031946.db2.gz CBJMWDITTJJNSZ-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001097552955 852546806 /nfs/dbraw/zinc/54/68/06/852546806.db2.gz KFQFYLNNNOWFRJ-KFWWJZLASA-N 2 1 286.379 0.936 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001097552955 852546810 /nfs/dbraw/zinc/54/68/10/852546810.db2.gz KFQFYLNNNOWFRJ-KFWWJZLASA-N 2 1 286.379 0.936 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052676678 852638725 /nfs/dbraw/zinc/63/87/25/852638725.db2.gz JCVIYCVPLOXAFT-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001052932265 852670781 /nfs/dbraw/zinc/67/07/81/852670781.db2.gz KPXXLLZZHVQGQL-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052932265 852670785 /nfs/dbraw/zinc/67/07/85/852670785.db2.gz KPXXLLZZHVQGQL-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052932265 852670790 /nfs/dbraw/zinc/67/07/90/852670790.db2.gz KPXXLLZZHVQGQL-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001052948436 852674919 /nfs/dbraw/zinc/67/49/19/852674919.db2.gz GATYMHMXOFIXNU-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052948436 852674922 /nfs/dbraw/zinc/67/49/22/852674922.db2.gz GATYMHMXOFIXNU-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052948436 852674926 /nfs/dbraw/zinc/67/49/26/852674926.db2.gz GATYMHMXOFIXNU-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052948436 852674929 /nfs/dbraw/zinc/67/49/29/852674929.db2.gz GATYMHMXOFIXNU-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@H+]1C[C@H](NC(=O)Cc2cncn2C)CC[C@H]1C ZINC001071994326 854331441 /nfs/dbraw/zinc/33/14/41/854331441.db2.gz FDEZULUILQHQKC-ZIAGYGMSSA-N 2 1 288.395 0.955 20 30 CCEDMP CC#CCN1C[C@H](NC(=O)Cc2cncn2C)CC[C@H]1C ZINC001071994326 854331451 /nfs/dbraw/zinc/33/14/51/854331451.db2.gz FDEZULUILQHQKC-ZIAGYGMSSA-N 2 1 288.395 0.955 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001074811981 854787818 /nfs/dbraw/zinc/78/78/18/854787818.db2.gz QFRIDKXUXFRVLF-IHRRRGAJSA-N 2 1 263.385 0.683 20 30 CCEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098225079 854853360 /nfs/dbraw/zinc/85/33/60/854853360.db2.gz TWFPGWZDDHEBJA-KFWWJZLASA-N 2 1 287.407 0.827 20 30 CCEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098225079 854853362 /nfs/dbraw/zinc/85/33/62/854853362.db2.gz TWFPGWZDDHEBJA-KFWWJZLASA-N 2 1 287.407 0.827 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100079963 855093466 /nfs/dbraw/zinc/09/34/66/855093466.db2.gz BFBFZUZHUUIZPZ-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100079963 855093472 /nfs/dbraw/zinc/09/34/72/855093472.db2.gz BFBFZUZHUUIZPZ-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100079963 855093480 /nfs/dbraw/zinc/09/34/80/855093480.db2.gz BFBFZUZHUUIZPZ-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100083342 855097625 /nfs/dbraw/zinc/09/76/25/855097625.db2.gz QKSSXFLEBUATNL-QWHCGFSZSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100083342 855097629 /nfs/dbraw/zinc/09/76/29/855097629.db2.gz QKSSXFLEBUATNL-QWHCGFSZSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100083342 855097636 /nfs/dbraw/zinc/09/76/36/855097636.db2.gz QKSSXFLEBUATNL-QWHCGFSZSA-N 2 1 269.389 0.066 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001100445992 855169511 /nfs/dbraw/zinc/16/95/11/855169511.db2.gz JMSLOEMXBYKWPV-NRXISQOPSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101418519 855288446 /nfs/dbraw/zinc/28/84/46/855288446.db2.gz WAORFTYAJRYDAZ-ZBFHGGJFSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418519 855288449 /nfs/dbraw/zinc/28/84/49/855288449.db2.gz WAORFTYAJRYDAZ-ZBFHGGJFSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418519 855288454 /nfs/dbraw/zinc/28/84/54/855288454.db2.gz WAORFTYAJRYDAZ-ZBFHGGJFSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647183 855524830 /nfs/dbraw/zinc/52/48/30/855524830.db2.gz YHXNBOLWBDDFQG-HUUCEWRRSA-N 2 1 289.423 0.790 20 30 CCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115241176 855653581 /nfs/dbraw/zinc/65/35/81/855653581.db2.gz DAOVPBZPIZQEMB-KBXIAJHMSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115241176 855653584 /nfs/dbraw/zinc/65/35/84/855653584.db2.gz DAOVPBZPIZQEMB-KBXIAJHMSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115241176 855653586 /nfs/dbraw/zinc/65/35/86/855653586.db2.gz DAOVPBZPIZQEMB-KBXIAJHMSA-N 2 1 293.411 0.187 20 30 CCEDMP N#CC[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001414072017 912225075 /nfs/dbraw/zinc/22/50/75/912225075.db2.gz ZYRLHBJXGOGVLY-CQSZACIVSA-N 2 1 281.400 0.574 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001323410754 912331014 /nfs/dbraw/zinc/33/10/14/912331014.db2.gz BORGZOOOJZIKSC-GFCCVEGCSA-N 2 1 267.373 0.132 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001323410754 912331031 /nfs/dbraw/zinc/33/10/31/912331031.db2.gz BORGZOOOJZIKSC-GFCCVEGCSA-N 2 1 267.373 0.132 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001324262286 912745363 /nfs/dbraw/zinc/74/53/63/912745363.db2.gz WSZSDIQYIYNCBZ-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001324668419 912974858 /nfs/dbraw/zinc/97/48/58/912974858.db2.gz FSLVZWZVGXTLQP-OAHLLOKOSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001324668419 912974870 /nfs/dbraw/zinc/97/48/70/912974870.db2.gz FSLVZWZVGXTLQP-OAHLLOKOSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001324668419 912974884 /nfs/dbraw/zinc/97/48/84/912974884.db2.gz FSLVZWZVGXTLQP-OAHLLOKOSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001325097778 913208254 /nfs/dbraw/zinc/20/82/54/913208254.db2.gz OMQKSYRIMHDEDS-NFAWXSAZSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325097778 913208270 /nfs/dbraw/zinc/20/82/70/913208270.db2.gz OMQKSYRIMHDEDS-NFAWXSAZSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325097778 913208286 /nfs/dbraw/zinc/20/82/86/913208286.db2.gz OMQKSYRIMHDEDS-NFAWXSAZSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001394633817 913328647 /nfs/dbraw/zinc/32/86/47/913328647.db2.gz KGNUTLOATPCCHY-CMPLNLGQSA-N 2 1 289.807 0.147 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001394633817 913328664 /nfs/dbraw/zinc/32/86/64/913328664.db2.gz KGNUTLOATPCCHY-CMPLNLGQSA-N 2 1 289.807 0.147 20 30 CCEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001266424113 891485341 /nfs/dbraw/zinc/48/53/41/891485341.db2.gz NAMDUGDPIOYMJY-CHWSQXEVSA-N 2 1 251.374 0.751 20 30 CCEDMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)CC#CCOC ZINC001480937611 891897823 /nfs/dbraw/zinc/89/78/23/891897823.db2.gz OHVMEBUMUHVSOF-UHFFFAOYSA-N 2 1 269.389 0.026 20 30 CCEDMP CCC[NH+](C)CC(=O)NCC[N@H+](C)CC#CCOC ZINC001480937611 891897838 /nfs/dbraw/zinc/89/78/38/891897838.db2.gz OHVMEBUMUHVSOF-UHFFFAOYSA-N 2 1 269.389 0.026 20 30 CCEDMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)CC#CCOC ZINC001480937611 891897852 /nfs/dbraw/zinc/89/78/52/891897852.db2.gz OHVMEBUMUHVSOF-UHFFFAOYSA-N 2 1 269.389 0.026 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001480951348 891936337 /nfs/dbraw/zinc/93/63/37/891936337.db2.gz YEQCZZUJKAXRGG-UHFFFAOYSA-N 2 1 275.396 0.403 20 30 CCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001325866796 913618018 /nfs/dbraw/zinc/61/80/18/913618018.db2.gz ZXAHGSBCRGKMCS-MRXNPFEDSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001325866796 913618034 /nfs/dbraw/zinc/61/80/34/913618034.db2.gz ZXAHGSBCRGKMCS-MRXNPFEDSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001325866796 913618046 /nfs/dbraw/zinc/61/80/46/913618046.db2.gz ZXAHGSBCRGKMCS-MRXNPFEDSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001325866796 913618060 /nfs/dbraw/zinc/61/80/60/913618060.db2.gz ZXAHGSBCRGKMCS-MRXNPFEDSA-N 2 1 295.427 0.295 20 30 CCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001325988726 913676885 /nfs/dbraw/zinc/67/68/85/913676885.db2.gz JSNZQBBWHHGKFP-ZDUSSCGKSA-N 2 1 269.389 0.067 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481746578 893111127 /nfs/dbraw/zinc/11/11/27/893111127.db2.gz GGAWZVKYMLWUGQ-STQMWFEESA-N 2 1 251.374 0.493 20 30 CCEDMP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001481810335 893175733 /nfs/dbraw/zinc/17/57/33/893175733.db2.gz FXCQXYKRESNASL-ZIAGYGMSSA-N 2 1 265.401 0.977 20 30 CCEDMP C=CCCC[NH2+]CCN(CC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482916726 894685036 /nfs/dbraw/zinc/68/50/36/894685036.db2.gz YQLBVZUWZUROOE-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[NH2+]CCN(CC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482916726 894685045 /nfs/dbraw/zinc/68/50/45/894685045.db2.gz YQLBVZUWZUROOE-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001506949928 894952064 /nfs/dbraw/zinc/95/20/64/894952064.db2.gz DZIMVIBMYYYWJB-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001483512308 895622720 /nfs/dbraw/zinc/62/27/20/895622720.db2.gz VHXJFMYLYMXAFA-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483597908 895672185 /nfs/dbraw/zinc/67/21/85/895672185.db2.gz DLJRPMRBIMDGAG-ZFWWWQNUSA-N 2 1 277.412 0.836 20 30 CCEDMP C=C(C)CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001484490866 896436366 /nfs/dbraw/zinc/43/63/66/896436366.db2.gz HNGOKROKEWTCMU-HNNXBMFYSA-N 2 1 297.443 0.847 20 30 CCEDMP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001485157685 896826749 /nfs/dbraw/zinc/82/67/49/896826749.db2.gz MWUDELZLCBZOJA-OLZOCXBDSA-N 2 1 265.401 0.977 20 30 CCEDMP N#Cc1ccnc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205240639 897725172 /nfs/dbraw/zinc/72/51/72/897725172.db2.gz MMSSNHMZGZRDMI-CQSZACIVSA-N 2 1 260.341 0.629 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCO1 ZINC001280628367 899900488 /nfs/dbraw/zinc/90/04/88/899900488.db2.gz JOVKXEICSLQNIS-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001488871365 900398222 /nfs/dbraw/zinc/39/82/22/900398222.db2.gz VIOBJMYKLJKNAI-SHTZXODSSA-N 2 1 295.427 0.462 20 30 CCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001488843519 900401146 /nfs/dbraw/zinc/40/11/46/900401146.db2.gz HCEGDXSPQBOOOV-RBSFLKMASA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCF ZINC001491486603 903620995 /nfs/dbraw/zinc/62/09/95/903620995.db2.gz LPBQGYABWZUVDE-STQMWFEESA-N 2 1 269.364 0.538 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCF ZINC001491486603 903621000 /nfs/dbraw/zinc/62/10/00/903621000.db2.gz LPBQGYABWZUVDE-STQMWFEESA-N 2 1 269.364 0.538 20 30 CCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001281634009 904315779 /nfs/dbraw/zinc/31/57/79/904315779.db2.gz GBKDHUNLIFPXKU-UHFFFAOYSA-N 2 1 283.416 0.457 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001282873910 904559115 /nfs/dbraw/zinc/55/91/15/904559115.db2.gz MADRODJHVZWGIX-APIJFGDWSA-N 2 1 277.412 0.500 20 30 CCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)CCCn1cc[nH+]c1C ZINC001283817931 905035440 /nfs/dbraw/zinc/03/54/40/905035440.db2.gz VAWOQEIIWOLNNM-AWEZNQCLSA-N 2 1 292.383 0.062 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)CCC ZINC001317411261 908209536 /nfs/dbraw/zinc/20/95/36/908209536.db2.gz DJRLVUXICGBYOD-ZDUSSCGKSA-N 2 1 253.390 0.836 20 30 CCEDMP C=CC[N@@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001317467996 908276558 /nfs/dbraw/zinc/27/65/58/908276558.db2.gz OCHKLVVDZPJDSD-UHFFFAOYSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001316749424 908766647 /nfs/dbraw/zinc/76/66/47/908766647.db2.gz UBMYWUOJSITOCO-CABCVRRESA-N 2 1 295.427 0.409 20 30 CCEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001316749424 908766653 /nfs/dbraw/zinc/76/66/53/908766653.db2.gz UBMYWUOJSITOCO-CABCVRRESA-N 2 1 295.427 0.409 20 30 CCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001316749424 908766658 /nfs/dbraw/zinc/76/66/58/908766658.db2.gz UBMYWUOJSITOCO-CABCVRRESA-N 2 1 295.427 0.409 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001316800288 908776739 /nfs/dbraw/zinc/77/67/39/908776739.db2.gz ULSPJJDLHIHKML-CABCVRRESA-N 2 1 295.427 0.555 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001316800288 908776718 /nfs/dbraw/zinc/77/67/18/908776718.db2.gz ULSPJJDLHIHKML-CABCVRRESA-N 2 1 295.427 0.555 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001316800288 908776729 /nfs/dbraw/zinc/77/67/29/908776729.db2.gz ULSPJJDLHIHKML-CABCVRRESA-N 2 1 295.427 0.555 20 30 CCEDMP C#CCC[N@H+](CC)CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001316909931 908833176 /nfs/dbraw/zinc/83/31/76/908833176.db2.gz XBNMDHYTRGOZQY-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@@H+](CC)CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001316909931 908833195 /nfs/dbraw/zinc/83/31/95/908833195.db2.gz XBNMDHYTRGOZQY-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001316909931 908833217 /nfs/dbraw/zinc/83/32/17/908833217.db2.gz XBNMDHYTRGOZQY-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001316909931 908833229 /nfs/dbraw/zinc/83/32/29/908833229.db2.gz XBNMDHYTRGOZQY-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001317179080 909031131 /nfs/dbraw/zinc/03/11/31/909031131.db2.gz QAMAZSCERDEIOX-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001317179080 909031145 /nfs/dbraw/zinc/03/11/45/909031145.db2.gz QAMAZSCERDEIOX-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CCC[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317461841 909236829 /nfs/dbraw/zinc/23/68/29/909236829.db2.gz SPKPVSOWIXPRDK-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CCC[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317461841 909236839 /nfs/dbraw/zinc/23/68/39/909236839.db2.gz SPKPVSOWIXPRDK-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CCC[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317461841 909236856 /nfs/dbraw/zinc/23/68/56/909236856.db2.gz SPKPVSOWIXPRDK-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001318276822 909684673 /nfs/dbraw/zinc/68/46/73/909684673.db2.gz UIIYCLMHYBIFQB-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001318276822 909684687 /nfs/dbraw/zinc/68/46/87/909684687.db2.gz UIIYCLMHYBIFQB-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001318276822 909684714 /nfs/dbraw/zinc/68/47/14/909684714.db2.gz UIIYCLMHYBIFQB-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001318355368 909722961 /nfs/dbraw/zinc/72/29/61/909722961.db2.gz DFKIZPHKUVFFIA-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001318355368 909722970 /nfs/dbraw/zinc/72/29/70/909722970.db2.gz DFKIZPHKUVFFIA-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001318538996 909805908 /nfs/dbraw/zinc/80/59/08/909805908.db2.gz AYCUQYYIOTUVIK-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001319207180 910038795 /nfs/dbraw/zinc/03/87/95/910038795.db2.gz HGBABXJQWJBLPG-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001321010706 911011416 /nfs/dbraw/zinc/01/14/16/911011416.db2.gz AYEPUAFJRQLFRB-CFHLNLSMSA-N 2 1 267.373 0.155 20 30 CCEDMP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001321010706 911011438 /nfs/dbraw/zinc/01/14/38/911011438.db2.gz AYEPUAFJRQLFRB-CFHLNLSMSA-N 2 1 267.373 0.155 20 30 CCEDMP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001321057791 911053657 /nfs/dbraw/zinc/05/36/57/911053657.db2.gz SLSQNCGTDBNSRN-GEXIGZQTSA-N 2 1 263.385 0.754 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001322032034 911630443 /nfs/dbraw/zinc/63/04/43/911630443.db2.gz BGLFKDADLAHTDQ-ZDUSSCGKSA-N 2 1 297.362 0.999 20 30 CCEDMP N#CCCN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001329315636 915811537 /nfs/dbraw/zinc/81/15/37/915811537.db2.gz JGKLPXGZZZWCCP-CYBMUJFWSA-N 2 1 264.373 0.039 20 30 CCEDMP C[NH+](C)C[C@H](O)CNCCC(=O)Nc1cccc(C#N)c1 ZINC001329428741 915908729 /nfs/dbraw/zinc/90/87/29/915908729.db2.gz UYQNRHBIKZGQLE-CQSZACIVSA-N 2 1 290.367 0.399 20 30 CCEDMP C[NH+](C)C[C@H](O)C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001329428741 915908740 /nfs/dbraw/zinc/90/87/40/915908740.db2.gz UYQNRHBIKZGQLE-CQSZACIVSA-N 2 1 290.367 0.399 20 30 CCEDMP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001331191519 917168345 /nfs/dbraw/zinc/16/83/45/917168345.db2.gz MVMZPFVPJGONCA-HUUCEWRRSA-N 2 1 295.427 0.461 20 30 CCEDMP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001331191519 917168357 /nfs/dbraw/zinc/16/83/57/917168357.db2.gz MVMZPFVPJGONCA-HUUCEWRRSA-N 2 1 295.427 0.461 20 30 CCEDMP C=CCO[C@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001332013332 917803853 /nfs/dbraw/zinc/80/38/53/917803853.db2.gz PDLHBMXLICAVQX-HIFRSBDPSA-N 2 1 291.399 0.980 20 30 CCEDMP C=CCO[C@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001332013332 917803869 /nfs/dbraw/zinc/80/38/69/917803869.db2.gz PDLHBMXLICAVQX-HIFRSBDPSA-N 2 1 291.399 0.980 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001332050277 917824652 /nfs/dbraw/zinc/82/46/52/917824652.db2.gz SEZRIDSGQAJTAX-OCCSQVGLSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCOC ZINC001332914262 918527386 /nfs/dbraw/zinc/52/73/86/918527386.db2.gz RLJHDXRTXLSHAH-HNNXBMFYSA-N 2 1 293.411 0.026 20 30 CCEDMP C#CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCOC ZINC001332914262 918527397 /nfs/dbraw/zinc/52/73/97/918527397.db2.gz RLJHDXRTXLSHAH-HNNXBMFYSA-N 2 1 293.411 0.026 20 30 CCEDMP C=CCCC[N@@H+](CC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492947857 919037769 /nfs/dbraw/zinc/03/77/69/919037769.db2.gz GNYQXCCAMXWVJF-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[N@H+](CC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492947857 919037785 /nfs/dbraw/zinc/03/77/85/919037785.db2.gz GNYQXCCAMXWVJF-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[NH+](CC)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001492947857 919037799 /nfs/dbraw/zinc/03/77/99/919037799.db2.gz GNYQXCCAMXWVJF-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[NH+](CC)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001492947857 919037814 /nfs/dbraw/zinc/03/78/14/919037814.db2.gz GNYQXCCAMXWVJF-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[C@@H]21 ZINC001335790071 920435151 /nfs/dbraw/zinc/43/51/51/920435151.db2.gz ZXRFVCSDTRLXRT-AGIUHOORSA-N 2 1 264.373 0.560 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC001336785950 921009855 /nfs/dbraw/zinc/00/98/55/921009855.db2.gz WAYJWTAXINJXJJ-AWEZNQCLSA-N 2 1 266.385 0.340 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CC[N@H+]1CCCC1(C)C ZINC001336802102 921025217 /nfs/dbraw/zinc/02/52/17/921025217.db2.gz AYNXKRCYZNXRHD-UHFFFAOYSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001336802102 921025233 /nfs/dbraw/zinc/02/52/33/921025233.db2.gz AYNXKRCYZNXRHD-UHFFFAOYSA-N 2 1 251.374 0.590 20 30 CCEDMP C[C@H](CCC#N)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000602698326 362757817 /nfs/dbraw/zinc/75/78/17/362757817.db2.gz JRQQEJIFJJERGR-CYBMUJFWSA-N 2 1 266.389 0.632 20 30 CCEDMP C[C@H](CCC#N)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000602698326 362757822 /nfs/dbraw/zinc/75/78/22/362757822.db2.gz JRQQEJIFJJERGR-CYBMUJFWSA-N 2 1 266.389 0.632 20 30 CCEDMP CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847335 362835099 /nfs/dbraw/zinc/83/50/99/362835099.db2.gz AITGNAWGYHTAHL-QLFBSQMISA-N 2 1 282.432 0.606 20 30 CCEDMP C=CCNC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000066245387 348738376 /nfs/dbraw/zinc/73/83/76/348738376.db2.gz XUASATWCOKRHFJ-OAHLLOKOSA-N 2 1 288.395 0.496 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603430786 363130239 /nfs/dbraw/zinc/13/02/39/363130239.db2.gz CXVKPILFVCVJNP-AEJSXWLSSA-N 2 1 268.361 0.102 20 30 CCEDMP C#CCNC(=O)C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000491202070 358292559 /nfs/dbraw/zinc/29/25/59/358292559.db2.gz LNXYHJYRTXSSIS-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000591770770 359657301 /nfs/dbraw/zinc/65/73/01/359657301.db2.gz YNFAMDYPBOVDHI-GJZGRUSLSA-N 2 1 282.432 0.514 20 30 CCEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C[NH+]1CCOCC1 ZINC000594437537 360305519 /nfs/dbraw/zinc/30/55/19/360305519.db2.gz JVBUWYBVAOTVJT-ZIAGYGMSSA-N 2 1 296.415 0.482 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000594440311 360308573 /nfs/dbraw/zinc/30/85/73/360308573.db2.gz BZSXHOAEPQSCRY-ZDUSSCGKSA-N 2 1 264.373 0.704 20 30 CCEDMP C[N@H+]1CC[C@@]2(C1)CCCN(CC(=O)NCC#N)C2 ZINC000595507972 360554510 /nfs/dbraw/zinc/55/45/10/360554510.db2.gz SKGAFMCCCOOMAP-CYBMUJFWSA-N 2 1 250.346 0.044 20 30 CCEDMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595944562 360722367 /nfs/dbraw/zinc/72/23/67/360722367.db2.gz NPDXJYIMMUMRSL-NWDGAFQWSA-N 2 1 252.362 0.608 20 30 CCEDMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595942924 360718628 /nfs/dbraw/zinc/71/86/28/360718628.db2.gz FCCFBISGQJZBMK-QWHCGFSZSA-N 2 1 266.389 0.998 20 30 CCEDMP C[NH+](C)CCC[N@H+](C)CCNc1cc(C#N)cnn1 ZINC000596424317 360890162 /nfs/dbraw/zinc/89/01/62/360890162.db2.gz HRCCOXUYSQCZPS-UHFFFAOYSA-N 2 1 262.361 0.066 20 30 CCEDMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(C#N)cnn1 ZINC000596424317 360890165 /nfs/dbraw/zinc/89/01/65/360890165.db2.gz HRCCOXUYSQCZPS-UHFFFAOYSA-N 2 1 262.361 0.066 20 30 CCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641805921 377477976 /nfs/dbraw/zinc/47/79/76/377477976.db2.gz OTWLBNWHJGANQC-RYUDHWBXSA-N 2 1 251.374 0.902 20 30 CCEDMP C[N@H+]1CCCN(CCNC(=[NH2+])N2CCCCC2)CC1 ZINC000104175121 389080380 /nfs/dbraw/zinc/08/03/80/389080380.db2.gz BMIIRDQWUIZIMR-UHFFFAOYSA-N 2 1 267.421 0.425 20 30 CCEDMP C#CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241786 389104178 /nfs/dbraw/zinc/10/41/78/389104178.db2.gz FIRNSELCEIWOMZ-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125297473 389165374 /nfs/dbraw/zinc/16/53/74/389165374.db2.gz ZNEPSNUOLSUNRR-RVMXOQNASA-N 2 1 251.374 0.736 20 30 CCEDMP C=CC[N@@H+](CCOC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000361996512 389227476 /nfs/dbraw/zinc/22/74/76/389227476.db2.gz NEVUBYLFZNAXRK-UHFFFAOYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+](CCOC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000361996512 389227478 /nfs/dbraw/zinc/22/74/78/389227478.db2.gz NEVUBYLFZNAXRK-UHFFFAOYSA-N 2 1 295.427 0.864 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1ccnc1C ZINC000264095106 389306044 /nfs/dbraw/zinc/30/60/44/389306044.db2.gz MKHOHBRJNPYVQG-CQSZACIVSA-N 2 1 292.431 0.970 20 30 CCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000264095106 389306048 /nfs/dbraw/zinc/30/60/48/389306048.db2.gz MKHOHBRJNPYVQG-CQSZACIVSA-N 3 1 292.431 0.970 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000264095106 389306052 /nfs/dbraw/zinc/30/60/52/389306052.db2.gz MKHOHBRJNPYVQG-CQSZACIVSA-N 3 1 292.431 0.970 20 30 CCEDMP C=CCOCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000348042083 389363128 /nfs/dbraw/zinc/36/31/28/389363128.db2.gz YJOKETBQXJZPEU-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCOCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000348042083 389363131 /nfs/dbraw/zinc/36/31/31/389363131.db2.gz YJOKETBQXJZPEU-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCOCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000348042082 389363208 /nfs/dbraw/zinc/36/32/08/389363208.db2.gz YJOKETBQXJZPEU-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCOCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000348042082 389363209 /nfs/dbraw/zinc/36/32/09/389363209.db2.gz YJOKETBQXJZPEU-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C[NH+]=C(NCc1ccoc1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000176306137 389556820 /nfs/dbraw/zinc/55/68/20/389556820.db2.gz OSZCBOMKPPARND-NSHDSACASA-N 2 1 250.346 0.896 20 30 CCEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)NC1CCCCC1 ZINC000187856552 260061959 /nfs/dbraw/zinc/06/19/59/260061959.db2.gz PGMQGQLURQNCDH-UHFFFAOYSA-N 2 1 268.405 0.946 20 30 CCEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)NC1CCCCC1 ZINC000187856552 260061961 /nfs/dbraw/zinc/06/19/61/260061961.db2.gz PGMQGQLURQNCDH-UHFFFAOYSA-N 2 1 268.405 0.946 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000420295304 389979370 /nfs/dbraw/zinc/97/93/70/389979370.db2.gz VFGCUPKBAVXIAT-UPJWGTAASA-N 2 1 251.374 0.833 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000420295304 389979372 /nfs/dbraw/zinc/97/93/72/389979372.db2.gz VFGCUPKBAVXIAT-UPJWGTAASA-N 2 1 251.374 0.833 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000420303295 389980652 /nfs/dbraw/zinc/98/06/52/389980652.db2.gz CRJHYQVIQBAGMM-CHWSQXEVSA-N 2 1 251.374 0.834 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000491375886 390112618 /nfs/dbraw/zinc/11/26/18/390112618.db2.gz XYFXXSVOOLXBAH-UHFFFAOYSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000491566186 390114880 /nfs/dbraw/zinc/11/48/80/390114880.db2.gz DZOQELQMBVTNKO-STQMWFEESA-N 2 1 266.389 0.239 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000491661669 390115597 /nfs/dbraw/zinc/11/55/97/390115597.db2.gz NTEOJUISHPIGNI-NEPJUHHUSA-N 2 1 254.378 0.367 20 30 CCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000490778803 261207728 /nfs/dbraw/zinc/20/77/28/261207728.db2.gz LPBRGYSVUVLRPA-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP CC[C@@H]1C[NH+](CC#CC[N@H+]2C[C@H](O)[C@@H](CC)C2)C[C@H]1O ZINC000341902928 263364677 /nfs/dbraw/zinc/36/46/77/263364677.db2.gz GHQYACXVYLEUBP-GEEKYZPCSA-N 2 1 280.412 0.395 20 30 CCEDMP CC[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](O)[C@@H](CC)C2)C[C@H]1O ZINC000341902928 263364680 /nfs/dbraw/zinc/36/46/80/263364680.db2.gz GHQYACXVYLEUBP-GEEKYZPCSA-N 2 1 280.412 0.395 20 30 CCEDMP CC[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@H](O)[C@@H](CC)C2)C[C@H]1O ZINC000341902928 263364681 /nfs/dbraw/zinc/36/46/81/263364681.db2.gz GHQYACXVYLEUBP-GEEKYZPCSA-N 2 1 280.412 0.395 20 30 CCEDMP Cc1[nH+]ccn1CCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262432863 330010420 /nfs/dbraw/zinc/01/04/20/330010420.db2.gz FQIUMLBLDCKVBX-SNVBAGLBSA-N 2 1 251.334 0.227 20 30 CCEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCOC1 ZINC000262859655 330035556 /nfs/dbraw/zinc/03/55/56/330035556.db2.gz YZJMIVCMRVWLIZ-OLZOCXBDSA-N 2 1 280.416 0.672 20 30 CCEDMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C[N@H+]1C1CC1 ZINC000424137634 330274879 /nfs/dbraw/zinc/27/48/79/330274879.db2.gz BCJJHBOCRFKSBA-NQBHXWOUSA-N 2 1 264.373 0.749 20 30 CCEDMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424139435 330279091 /nfs/dbraw/zinc/27/90/91/330279091.db2.gz VGVSTRXQLMJBPA-MJBXVCDLSA-N 2 1 296.415 0.623 20 30 CCEDMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1CCCC1 ZINC000424157607 330304984 /nfs/dbraw/zinc/30/49/84/330304984.db2.gz QAXDVNBPSAPLAC-ZDUSSCGKSA-N 2 1 266.389 0.998 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000490557095 332091885 /nfs/dbraw/zinc/09/18/85/332091885.db2.gz ZYAQMFVSBCDZKE-UHFFFAOYSA-N 2 1 293.411 0.170 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@H+](C)CC#C ZINC000491536617 332232181 /nfs/dbraw/zinc/23/21/81/332232181.db2.gz LDMYRJDEGPLQJI-UHFFFAOYSA-N 2 1 278.400 0.196 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000491629909 332252795 /nfs/dbraw/zinc/25/27/95/332252795.db2.gz NCWDMHOFCJJENZ-CQSZACIVSA-N 2 1 281.400 0.026 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000491723035 332307938 /nfs/dbraw/zinc/30/79/38/332307938.db2.gz AMYGPGPCADHORP-GFCCVEGCSA-N 2 1 262.357 0.557 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000491776508 332341961 /nfs/dbraw/zinc/34/19/61/332341961.db2.gz WEFZCQLGJLYYSJ-UHFFFAOYSA-N 2 1 280.416 0.679 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[NH+](CC)CC1 ZINC000491776508 332341962 /nfs/dbraw/zinc/34/19/62/332341962.db2.gz WEFZCQLGJLYYSJ-UHFFFAOYSA-N 2 1 280.416 0.679 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[NH+](CC)CC1 ZINC000491776508 332341963 /nfs/dbraw/zinc/34/19/63/332341963.db2.gz WEFZCQLGJLYYSJ-UHFFFAOYSA-N 2 1 280.416 0.679 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000491818227 332368513 /nfs/dbraw/zinc/36/85/13/332368513.db2.gz KNLRNCHKCSXGFI-CQSZACIVSA-N 2 1 277.412 0.790 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174714073 335164559 /nfs/dbraw/zinc/16/45/59/335164559.db2.gz FSWJMSPPCXSUEU-AWEZNQCLSA-N 2 1 282.432 0.246 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000564843990 334523564 /nfs/dbraw/zinc/52/35/64/334523564.db2.gz DNAACLNJVMEHEI-INIZCTEOSA-N 2 1 294.443 0.823 20 30 CCEDMP C=C[C@@H](O)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000667812142 545156705 /nfs/dbraw/zinc/15/67/05/545156705.db2.gz FFJKTYRDYJAWAL-ZIAGYGMSSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C(C)[C@@H](CO)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000678719334 545396819 /nfs/dbraw/zinc/39/68/19/545396819.db2.gz GKPKIBHLYGFRKV-OAHLLOKOSA-N 2 1 269.433 0.881 20 30 CCEDMP CN(C(=[NH2+])NCCCN1CCC[N@@H+](C)CC1)C1CC1 ZINC000305807069 649879727 /nfs/dbraw/zinc/87/97/27/649879727.db2.gz GYCMRULHLRJYFV-UHFFFAOYSA-N 2 1 267.421 0.423 20 30 CCEDMP CN(C(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1)C1CC1 ZINC000305807069 649879728 /nfs/dbraw/zinc/87/97/28/649879728.db2.gz GYCMRULHLRJYFV-UHFFFAOYSA-N 2 1 267.421 0.423 20 30 CCEDMP CN(C(=[NH2+])NCCC[N@H+]1CCCN(C)CC1)C1CC1 ZINC000305807069 649879732 /nfs/dbraw/zinc/87/97/32/649879732.db2.gz GYCMRULHLRJYFV-UHFFFAOYSA-N 2 1 267.421 0.423 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000783019988 581334146 /nfs/dbraw/zinc/33/41/46/581334146.db2.gz HKFOFIFIAOOROS-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000787304524 581466940 /nfs/dbraw/zinc/46/69/40/581466940.db2.gz OUWIUQFKGSDEHA-GJZGRUSLSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000787304524 581466942 /nfs/dbraw/zinc/46/69/42/581466942.db2.gz OUWIUQFKGSDEHA-GJZGRUSLSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000766905379 581586297 /nfs/dbraw/zinc/58/62/97/581586297.db2.gz LDEAAPUZYCRFAZ-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000766905379 581586300 /nfs/dbraw/zinc/58/63/00/581586300.db2.gz LDEAAPUZYCRFAZ-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](C)C(C)C ZINC000730276400 581689710 /nfs/dbraw/zinc/68/97/10/581689710.db2.gz LDALRNWXBQHAJI-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)C(C)C ZINC000730276400 581689712 /nfs/dbraw/zinc/68/97/12/581689712.db2.gz LDALRNWXBQHAJI-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)C(C)C ZINC000730276400 581689714 /nfs/dbraw/zinc/68/97/14/581689714.db2.gz LDALRNWXBQHAJI-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C(C)C ZINC000730276400 581689717 /nfs/dbraw/zinc/68/97/17/581689717.db2.gz LDALRNWXBQHAJI-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C(C)C ZINC000730276400 581689719 /nfs/dbraw/zinc/68/97/19/581689719.db2.gz LDALRNWXBQHAJI-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891921788 613073746 /nfs/dbraw/zinc/07/37/46/613073746.db2.gz VURUYPZVXWLILU-ZIAGYGMSSA-N 2 1 278.400 0.477 20 30 CCEDMP CS[C@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000130711505 617275251 /nfs/dbraw/zinc/27/52/51/617275251.db2.gz KUEZXXCGMRTQFA-LLVKDONJSA-N 2 1 274.434 0.365 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000964372728 612954407 /nfs/dbraw/zinc/95/44/07/612954407.db2.gz ROAYMOACHLQMQK-UHFFFAOYSA-N 2 1 286.379 0.842 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000968966833 612960700 /nfs/dbraw/zinc/96/07/00/612960700.db2.gz DUDRLKDBEUFYKA-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000969169813 612962817 /nfs/dbraw/zinc/96/28/17/612962817.db2.gz IBWUOGRKDCCGBL-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000820197309 612998790 /nfs/dbraw/zinc/99/87/90/612998790.db2.gz MLBVPYDOBZJGGM-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)C(=C)CC[NH+](C)C)CC1 ZINC000900473605 613008928 /nfs/dbraw/zinc/00/89/28/613008928.db2.gz HCYVYOSNKJDNSG-UHFFFAOYSA-N 2 1 263.385 0.662 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000950508752 613009704 /nfs/dbraw/zinc/00/97/04/613009704.db2.gz AGUCEZCKPXXXBV-UONOGXRCSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000950508752 613009706 /nfs/dbraw/zinc/00/97/06/613009706.db2.gz AGUCEZCKPXXXBV-UONOGXRCSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000961787742 613042663 /nfs/dbraw/zinc/04/26/63/613042663.db2.gz LJJMSEGXZZGALY-TTZDDIAXSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000961787742 613042665 /nfs/dbraw/zinc/04/26/65/613042665.db2.gz LJJMSEGXZZGALY-TTZDDIAXSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000961787742 613042666 /nfs/dbraw/zinc/04/26/66/613042666.db2.gz LJJMSEGXZZGALY-TTZDDIAXSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000925346538 613067748 /nfs/dbraw/zinc/06/77/48/613067748.db2.gz CZLVQKBLHRLNCO-UKRRQHHQSA-N 2 1 292.427 0.818 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846166919 613074746 /nfs/dbraw/zinc/07/47/46/613074746.db2.gz FDBFZFDQGAWEQE-HOCLYGCPSA-N 2 1 292.427 0.712 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000846169019 613075459 /nfs/dbraw/zinc/07/54/59/613075459.db2.gz XFBAOSQVQFXEPC-UHFFFAOYSA-N 2 1 266.389 0.370 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(OC)CCOCC1 ZINC000883131113 613078422 /nfs/dbraw/zinc/07/84/22/613078422.db2.gz HGZOIYHMDBBYQG-UHFFFAOYSA-N 2 1 254.374 0.727 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]CC1(OC)CCOCC1 ZINC000883131113 613078423 /nfs/dbraw/zinc/07/84/23/613078423.db2.gz HGZOIYHMDBBYQG-UHFFFAOYSA-N 2 1 254.374 0.727 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971861974 613089370 /nfs/dbraw/zinc/08/93/70/613089370.db2.gz VKJJAUJAXZDTMP-AWEZNQCLSA-N 2 1 275.396 0.781 20 30 CCEDMP C#C[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878843941 613105843 /nfs/dbraw/zinc/10/58/43/613105843.db2.gz NGUGJMWSWVBDRK-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000982012733 613141968 /nfs/dbraw/zinc/14/19/68/613141968.db2.gz FXHJVWFOTIXYNO-LSDHHAIUSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982012733 613141970 /nfs/dbraw/zinc/14/19/70/613141970.db2.gz FXHJVWFOTIXYNO-LSDHHAIUSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982012733 613141971 /nfs/dbraw/zinc/14/19/71/613141971.db2.gz FXHJVWFOTIXYNO-LSDHHAIUSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](CC)CC)C1 ZINC000923577461 613165495 /nfs/dbraw/zinc/16/54/95/613165495.db2.gz VVBAKKVABDKCSI-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](CC)CC)C1 ZINC000923577461 613165497 /nfs/dbraw/zinc/16/54/97/613165497.db2.gz VVBAKKVABDKCSI-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](C(C)C)C1 ZINC000969865193 613201940 /nfs/dbraw/zinc/20/19/40/613201940.db2.gz LUXOQHBEHSKEBS-HIFRSBDPSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](C(C)C)C1 ZINC000969865193 613201941 /nfs/dbraw/zinc/20/19/41/613201941.db2.gz LUXOQHBEHSKEBS-HIFRSBDPSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000947550725 613261614 /nfs/dbraw/zinc/26/16/14/613261614.db2.gz ANPGVMSWWKOFQA-OCCSQVGLSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000947550725 613261617 /nfs/dbraw/zinc/26/16/17/613261617.db2.gz ANPGVMSWWKOFQA-OCCSQVGLSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942517528 613261813 /nfs/dbraw/zinc/26/18/13/613261813.db2.gz BCPUZKYRGFMVIK-OCCSQVGLSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942517528 613261814 /nfs/dbraw/zinc/26/18/14/613261814.db2.gz BCPUZKYRGFMVIK-OCCSQVGLSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621189 613262359 /nfs/dbraw/zinc/26/23/59/613262359.db2.gz PILJFKMVCWNETL-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621189 613262362 /nfs/dbraw/zinc/26/23/62/613262362.db2.gz PILJFKMVCWNETL-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621189 613262363 /nfs/dbraw/zinc/26/23/63/613262363.db2.gz PILJFKMVCWNETL-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980244718 613291045 /nfs/dbraw/zinc/29/10/45/613291045.db2.gz YNVADYXVBOXRDY-HRCADAONSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982235271 613293322 /nfs/dbraw/zinc/29/33/22/613293322.db2.gz KZJXXKVEHDVRJX-BHYGNILZSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982235271 613293323 /nfs/dbraw/zinc/29/33/23/613293323.db2.gz KZJXXKVEHDVRJX-BHYGNILZSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982235271 613293325 /nfs/dbraw/zinc/29/33/25/613293325.db2.gz KZJXXKVEHDVRJX-BHYGNILZSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258922 613324943 /nfs/dbraw/zinc/32/49/43/613324943.db2.gz KMXRABRQUMADLA-CQSZACIVSA-N 2 1 286.379 0.732 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000819062796 613325744 /nfs/dbraw/zinc/32/57/44/613325744.db2.gz TURBKRBQAZLKNB-OAHLLOKOSA-N 2 1 293.411 0.359 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000961767809 613344677 /nfs/dbraw/zinc/34/46/77/613344677.db2.gz ZTDXHPROUJDECC-NYTXWWLZSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000961767809 613344678 /nfs/dbraw/zinc/34/46/78/613344678.db2.gz ZTDXHPROUJDECC-NYTXWWLZSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000961767809 613344679 /nfs/dbraw/zinc/34/46/79/613344679.db2.gz ZTDXHPROUJDECC-NYTXWWLZSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000909436591 613363797 /nfs/dbraw/zinc/36/37/97/613363797.db2.gz RHTJWLBTEATKGJ-ZDUSSCGKSA-N 2 1 269.389 0.019 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000909436591 613363798 /nfs/dbraw/zinc/36/37/98/613363798.db2.gz RHTJWLBTEATKGJ-ZDUSSCGKSA-N 2 1 269.389 0.019 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000764578124 613365773 /nfs/dbraw/zinc/36/57/73/613365773.db2.gz WFWSCMYKYZZCRJ-DGCLKSJQSA-N 2 1 253.390 0.903 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000764578130 613365844 /nfs/dbraw/zinc/36/58/44/613365844.db2.gz WFWSCMYKYZZCRJ-YPMHNXCESA-N 2 1 253.390 0.903 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874830359 613366209 /nfs/dbraw/zinc/36/62/09/613366209.db2.gz QWIIYTOJYUSQJQ-OLZOCXBDSA-N 2 1 251.374 0.799 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000876744066 613390215 /nfs/dbraw/zinc/39/02/15/613390215.db2.gz MYXCVKFZHNJHDH-SRVKXCTJSA-N 2 1 287.791 0.436 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960528359 613565163 /nfs/dbraw/zinc/56/51/63/613565163.db2.gz RGXAENZXEUAVAB-QMIVOQANSA-N 2 1 293.411 0.328 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960528359 613565164 /nfs/dbraw/zinc/56/51/64/613565164.db2.gz RGXAENZXEUAVAB-QMIVOQANSA-N 2 1 293.411 0.328 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960528359 613565165 /nfs/dbraw/zinc/56/51/65/613565165.db2.gz RGXAENZXEUAVAB-QMIVOQANSA-N 2 1 293.411 0.328 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960528359 613565167 /nfs/dbraw/zinc/56/51/67/613565167.db2.gz RGXAENZXEUAVAB-QMIVOQANSA-N 2 1 293.411 0.328 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980407510 613627776 /nfs/dbraw/zinc/62/77/76/613627776.db2.gz YXJCSUCTBNGKBF-ZDUSSCGKSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000981960053 613692771 /nfs/dbraw/zinc/69/27/71/613692771.db2.gz RKTOPNBNHIINET-ZIAGYGMSSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981960053 613692772 /nfs/dbraw/zinc/69/27/72/613692772.db2.gz RKTOPNBNHIINET-ZIAGYGMSSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981960053 613692774 /nfs/dbraw/zinc/69/27/74/613692774.db2.gz RKTOPNBNHIINET-ZIAGYGMSSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1=O ZINC000931439756 613739844 /nfs/dbraw/zinc/73/98/44/613739844.db2.gz ZHDWHKILJJIVOZ-HZSPNIEDSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1=O ZINC000931439756 613739845 /nfs/dbraw/zinc/73/98/45/613739845.db2.gz ZHDWHKILJJIVOZ-HZSPNIEDSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1=O ZINC000931439756 613739846 /nfs/dbraw/zinc/73/98/46/613739846.db2.gz ZHDWHKILJJIVOZ-HZSPNIEDSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940649628 613745780 /nfs/dbraw/zinc/74/57/80/613745780.db2.gz PRAJMABHUUFLDW-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940649628 613745781 /nfs/dbraw/zinc/74/57/81/613745781.db2.gz PRAJMABHUUFLDW-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940649628 613745782 /nfs/dbraw/zinc/74/57/82/613745782.db2.gz PRAJMABHUUFLDW-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940649628 613745785 /nfs/dbraw/zinc/74/57/85/613745785.db2.gz PRAJMABHUUFLDW-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834504437 616180970 /nfs/dbraw/zinc/18/09/70/616180970.db2.gz BBHQWGNCGHWGCK-XQQFMLRXSA-N 2 1 264.373 0.479 20 30 CCEDMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834504438 616181148 /nfs/dbraw/zinc/18/11/48/616181148.db2.gz BBHQWGNCGHWGCK-YNEHKIRRSA-N 2 1 264.373 0.479 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001026148413 625343814 /nfs/dbraw/zinc/34/38/14/625343814.db2.gz HJOFBVJIAUGUPK-NBFUAULTSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001026421300 625441748 /nfs/dbraw/zinc/44/17/48/625441748.db2.gz QYSYZMJHEBYGOC-SOUVJXGZSA-N 2 1 286.379 0.651 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001022597294 622566096 /nfs/dbraw/zinc/56/60/96/622566096.db2.gz GJGCYGZKZIVFRI-HZSPNIEDSA-N 2 1 281.400 0.518 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001022597294 622566102 /nfs/dbraw/zinc/56/61/02/622566102.db2.gz GJGCYGZKZIVFRI-HZSPNIEDSA-N 2 1 281.400 0.518 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023744878 623125168 /nfs/dbraw/zinc/12/51/68/623125168.db2.gz WICKPWHFMHJIQI-UONOGXRCSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023744878 623125179 /nfs/dbraw/zinc/12/51/79/623125179.db2.gz WICKPWHFMHJIQI-UONOGXRCSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023744878 623125190 /nfs/dbraw/zinc/12/51/90/623125190.db2.gz WICKPWHFMHJIQI-UONOGXRCSA-N 2 1 263.385 0.400 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020589978 624544444 /nfs/dbraw/zinc/54/44/44/624544444.db2.gz JCGNXJUOXORPKJ-XUXIUFHCSA-N 2 1 265.401 0.997 20 30 CCEDMP C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261660074 624814772 /nfs/dbraw/zinc/81/47/72/624814772.db2.gz ARGQMHYLZHELKO-GXTWGEPZSA-N 2 1 294.443 0.939 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCOC1 ZINC000261968226 624930093 /nfs/dbraw/zinc/93/00/93/624930093.db2.gz CFNYOHVCMNHHEL-NEPJUHHUSA-N 2 1 254.378 0.412 20 30 CCEDMP C[NH+]=C(NCC(C)(C)[NH+](C)C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261974406 624947138 /nfs/dbraw/zinc/94/71/38/624947138.db2.gz NJHNBIBYCYRBPV-GXTWGEPZSA-N 3 1 295.475 0.974 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001027443809 625885831 /nfs/dbraw/zinc/88/58/31/625885831.db2.gz OYBNRZYXNHYZEH-GJZGRUSLSA-N 2 1 277.412 0.883 20 30 CCEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)CC#N ZINC000931763084 631243940 /nfs/dbraw/zinc/24/39/40/631243940.db2.gz FIMHQOAQXOFCQM-TZMCWYRMSA-N 2 1 260.341 0.867 20 30 CCEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)CC#N ZINC000931763084 631243950 /nfs/dbraw/zinc/24/39/50/631243950.db2.gz FIMHQOAQXOFCQM-TZMCWYRMSA-N 2 1 260.341 0.867 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)C[C@H]1CCOC1 ZINC000261719351 631546510 /nfs/dbraw/zinc/54/65/10/631546510.db2.gz WMEQDWQKFAQQQC-QWHCGFSZSA-N 2 1 268.405 0.482 20 30 CCEDMP C[NH+]=C(NCc1nc(C)no1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261852027 631653196 /nfs/dbraw/zinc/65/31/96/631653196.db2.gz YDSHSIQEVVPATL-BXKDBHETSA-N 2 1 292.387 0.526 20 30 CCEDMP COCC[N@H+]1CCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262003724 631749660 /nfs/dbraw/zinc/74/96/60/631749660.db2.gz QNWADNJBUNPQFD-GFCCVEGCSA-N 2 1 256.394 0.576 20 30 CCEDMP C#CC[N@@H+](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000985702944 632622650 /nfs/dbraw/zinc/62/26/50/632622650.db2.gz ZHIJJNBQYNQKQL-UHFFFAOYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000985702944 632622660 /nfs/dbraw/zinc/62/26/60/632622660.db2.gz ZHIJJNBQYNQKQL-UHFFFAOYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985754421 632635702 /nfs/dbraw/zinc/63/57/02/632635702.db2.gz CELYSFXLNOUVCN-UHFFFAOYSA-N 2 1 275.396 0.638 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989557046 633327125 /nfs/dbraw/zinc/32/71/25/633327125.db2.gz DXOWTJKBVMVEHY-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001009201576 650139180 /nfs/dbraw/zinc/13/91/80/650139180.db2.gz LDGPZZFEEDGOHV-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001009201576 650139181 /nfs/dbraw/zinc/13/91/81/650139181.db2.gz LDGPZZFEEDGOHV-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009201576 650139182 /nfs/dbraw/zinc/13/91/82/650139182.db2.gz LDGPZZFEEDGOHV-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP Cc1[nH+]ccn1CCCC(=O)NCC#CC[NH+](C)C ZINC000913517898 636834414 /nfs/dbraw/zinc/83/44/14/636834414.db2.gz UVCYJAYFYCYVTL-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994248435 637893178 /nfs/dbraw/zinc/89/31/78/637893178.db2.gz FFOFRMJJLNRKAK-UONOGXRCSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994248435 637893182 /nfs/dbraw/zinc/89/31/82/637893182.db2.gz FFOFRMJJLNRKAK-UONOGXRCSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995981203 638806624 /nfs/dbraw/zinc/80/66/24/638806624.db2.gz NHERHBAHPHBPBF-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997008933 638848192 /nfs/dbraw/zinc/84/81/92/638848192.db2.gz NFWCVHFKEYNQNB-TZMCWYRMSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000997220614 638859422 /nfs/dbraw/zinc/85/94/22/638859422.db2.gz DIHRNLBALWLNDR-INIZCTEOSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC000999127221 638961252 /nfs/dbraw/zinc/96/12/52/638961252.db2.gz PSZSTHQFTGYLJG-UHFFFAOYSA-N 2 1 260.341 0.404 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999828075 639005904 /nfs/dbraw/zinc/00/59/04/639005904.db2.gz CFOXOBPFQCNICD-PNESKVBLSA-N 2 1 251.374 0.703 20 30 CCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001151003 639247702 /nfs/dbraw/zinc/24/77/02/639247702.db2.gz JSEYZIHZWJKSBR-HOCLYGCPSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001151003 639247710 /nfs/dbraw/zinc/24/77/10/639247710.db2.gz JSEYZIHZWJKSBR-HOCLYGCPSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001151003 639247718 /nfs/dbraw/zinc/24/77/18/639247718.db2.gz JSEYZIHZWJKSBR-HOCLYGCPSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001014963672 650508674 /nfs/dbraw/zinc/50/86/74/650508674.db2.gz OEVOIUJFQUYSIA-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001014963672 650508675 /nfs/dbraw/zinc/50/86/75/650508675.db2.gz OEVOIUJFQUYSIA-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014963672 650508677 /nfs/dbraw/zinc/50/86/77/650508677.db2.gz OEVOIUJFQUYSIA-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014963672 650508679 /nfs/dbraw/zinc/50/86/79/650508679.db2.gz OEVOIUJFQUYSIA-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001005990964 640059310 /nfs/dbraw/zinc/05/93/10/640059310.db2.gz KXZBOEINJXINID-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387537 650561359 /nfs/dbraw/zinc/56/13/59/650561359.db2.gz MHCGYJUBBFTZNB-GJZGRUSLSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387537 650561361 /nfs/dbraw/zinc/56/13/61/650561361.db2.gz MHCGYJUBBFTZNB-GJZGRUSLSA-N 2 1 275.396 0.685 20 30 CCEDMP C[C@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000852872441 644035130 /nfs/dbraw/zinc/03/51/30/644035130.db2.gz MMRQJCAEUDCDDH-JSGCOSHPSA-N 2 1 275.396 0.731 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001018990166 650927112 /nfs/dbraw/zinc/92/71/12/650927112.db2.gz DUDRLKDBEUFYKA-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000863550861 645106552 /nfs/dbraw/zinc/10/65/52/645106552.db2.gz DHQGSHHQRAZDOZ-RDBSUJKOSA-N 2 1 279.384 0.494 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000863550861 645106556 /nfs/dbraw/zinc/10/65/56/645106556.db2.gz DHQGSHHQRAZDOZ-RDBSUJKOSA-N 2 1 279.384 0.494 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020179059 651047353 /nfs/dbraw/zinc/04/73/53/651047353.db2.gz MLHZKJVZWIRHCD-ZQDZILKHSA-N 2 1 293.411 0.663 20 30 CCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@@H]1C(F)F)C2 ZINC000884290149 647697793 /nfs/dbraw/zinc/69/77/93/647697793.db2.gz SWJGIXMMJWLHFS-JXRVJTEKSA-N 2 1 298.337 0.191 20 30 CCEDMP C[NH+]=C(NCC[N@@H+]1CCCOCC1)NCc1ccco1 ZINC000187844530 649336838 /nfs/dbraw/zinc/33/68/38/649336838.db2.gz VQCOIOURGRXOMR-UHFFFAOYSA-N 2 1 280.372 0.667 20 30 CCEDMP C[NH+]=C(NCC[N@H+]1CCCOCC1)NCc1ccco1 ZINC000187844530 649336841 /nfs/dbraw/zinc/33/68/41/649336841.db2.gz VQCOIOURGRXOMR-UHFFFAOYSA-N 2 1 280.372 0.667 20 30 CCEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000303863609 649826033 /nfs/dbraw/zinc/82/60/33/649826033.db2.gz AHAOEZCNXJVLTH-ZDUSSCGKSA-N 2 1 283.464 0.963 20 30 CCEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)COC)C1 ZINC000303883940 649826294 /nfs/dbraw/zinc/82/62/94/649826294.db2.gz MMDUQZIIJSBYTA-NEPJUHHUSA-N 2 1 256.394 0.658 20 30 CCEDMP CCN(CC)C(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000303896441 649826418 /nfs/dbraw/zinc/82/64/18/649826418.db2.gz ULTNKXCAYMLHLE-ZDUSSCGKSA-N 2 1 269.437 0.526 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Cn1cccn1 ZINC000303898170 649826448 /nfs/dbraw/zinc/82/64/48/649826448.db2.gz VJVPAQHXCKKNBV-ZIAGYGMSSA-N 2 1 292.431 0.908 20 30 CCEDMP CC(C)CCNC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000303977484 649827611 /nfs/dbraw/zinc/82/76/11/649827611.db2.gz LEACFGNTNRVGEG-UHFFFAOYSA-N 2 1 283.464 0.964 20 30 CCEDMP CC(C)CCNC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000303977484 649827612 /nfs/dbraw/zinc/82/76/12/649827612.db2.gz LEACFGNTNRVGEG-UHFFFAOYSA-N 2 1 283.464 0.964 20 30 CCEDMP CC(C)CCNC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000303977484 649827614 /nfs/dbraw/zinc/82/76/14/649827614.db2.gz LEACFGNTNRVGEG-UHFFFAOYSA-N 2 1 283.464 0.964 20 30 CCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)C ZINC000303983671 649827991 /nfs/dbraw/zinc/82/79/91/649827991.db2.gz RLHNRYFGQCPTCK-GFCCVEGCSA-N 2 1 256.394 0.658 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000304013764 649828885 /nfs/dbraw/zinc/82/88/85/649828885.db2.gz CBJXRSKLZTZYNF-CHWSQXEVSA-N 2 1 268.405 0.944 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266482743 790774190 /nfs/dbraw/zinc/77/41/90/790774190.db2.gz HUKAHSDDRCROCM-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266482743 790774196 /nfs/dbraw/zinc/77/41/96/790774196.db2.gz HUKAHSDDRCROCM-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266482743 790774202 /nfs/dbraw/zinc/77/42/02/790774202.db2.gz HUKAHSDDRCROCM-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266667177 791104156 /nfs/dbraw/zinc/10/41/56/791104156.db2.gz SNUCUZCGBFJLCI-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266667177 791104160 /nfs/dbraw/zinc/10/41/60/791104160.db2.gz SNUCUZCGBFJLCI-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001266695109 791149752 /nfs/dbraw/zinc/14/97/52/791149752.db2.gz KQOAXVWEAWZBFT-ZNMIVQPWSA-N 2 1 295.427 0.910 20 30 CCEDMP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277603580 805891430 /nfs/dbraw/zinc/89/14/30/805891430.db2.gz GLOBALHTBBTFCB-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CC[NH2+]CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001267109312 791551262 /nfs/dbraw/zinc/55/12/62/791551262.db2.gz GIFRVPINQDNSNG-BETUJISGSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC1 ZINC001267132850 791578278 /nfs/dbraw/zinc/57/82/78/791578278.db2.gz TVKDQFCESKZDDD-ZFWWWQNUSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC1 ZINC001267132850 791578281 /nfs/dbraw/zinc/57/82/81/791578281.db2.gz TVKDQFCESKZDDD-ZFWWWQNUSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267215995 791686969 /nfs/dbraw/zinc/68/69/69/791686969.db2.gz KBUCNIXRXOVSMP-HIFRSBDPSA-N 2 1 277.412 0.788 20 30 CCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001277822920 806163391 /nfs/dbraw/zinc/16/33/91/806163391.db2.gz HONDSOZQLFNXPO-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP N#Cc1cc(F)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(F)c1 ZINC001234994853 806341220 /nfs/dbraw/zinc/34/12/20/806341220.db2.gz ZXEPVDMLVBLPAW-HNNXBMFYSA-N 2 1 292.333 0.974 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC001122023230 799125583 /nfs/dbraw/zinc/12/55/83/799125583.db2.gz ZJRFUOOTPDUXSQ-VHSXEESVSA-N 2 1 261.316 0.736 20 30 CCEDMP C#CC[NH2+]CC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001121991648 799115738 /nfs/dbraw/zinc/11/57/38/799115738.db2.gz WXUXUAJEHMYURP-UHFFFAOYSA-N 2 1 295.452 0.687 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717018 800361676 /nfs/dbraw/zinc/36/16/76/800361676.db2.gz VCVWOJQIDMRJRH-AWEZNQCLSA-N 2 1 281.400 0.475 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150772299 800366515 /nfs/dbraw/zinc/36/65/15/800366515.db2.gz PQEULUURBMQQOU-CQSZACIVSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150772299 800366521 /nfs/dbraw/zinc/36/65/21/800366521.db2.gz PQEULUURBMQQOU-CQSZACIVSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150772299 800366529 /nfs/dbraw/zinc/36/65/29/800366529.db2.gz PQEULUURBMQQOU-CQSZACIVSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150772299 800366537 /nfs/dbraw/zinc/36/65/37/800366537.db2.gz PQEULUURBMQQOU-CQSZACIVSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152622199 800543622 /nfs/dbraw/zinc/54/36/22/800543622.db2.gz XIFYQFXFGSHCJP-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152622199 800543623 /nfs/dbraw/zinc/54/36/23/800543623.db2.gz XIFYQFXFGSHCJP-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152622199 800543625 /nfs/dbraw/zinc/54/36/25/800543625.db2.gz XIFYQFXFGSHCJP-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152622199 800543626 /nfs/dbraw/zinc/54/36/26/800543626.db2.gz XIFYQFXFGSHCJP-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156146159 801116588 /nfs/dbraw/zinc/11/65/88/801116588.db2.gz UXDMWBJKVIMKKW-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156146159 801116594 /nfs/dbraw/zinc/11/65/94/801116594.db2.gz UXDMWBJKVIMKKW-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156928015 801264914 /nfs/dbraw/zinc/26/49/14/801264914.db2.gz SEUWAPAYYBFBOS-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001157747434 801469646 /nfs/dbraw/zinc/46/96/46/801469646.db2.gz HAPFKNHJXJCKMO-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP N#Cc1c2c(cnc1N1CC[N@H+]3CC[C@H]3C1)C[NH2+]CCC2 ZINC001158426276 801644566 /nfs/dbraw/zinc/64/45/66/801644566.db2.gz WNFAZRNZCZGLDP-ZDUSSCGKSA-N 2 1 283.379 0.883 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158435182 801648471 /nfs/dbraw/zinc/64/84/71/801648471.db2.gz VKEUGXXWXBCKGB-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001159902306 801886630 /nfs/dbraw/zinc/88/66/30/801886630.db2.gz XSTMHGARRZUYHB-AWEZNQCLSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCOC ZINC001160198160 801918731 /nfs/dbraw/zinc/91/87/31/801918731.db2.gz VECPENDFMDMIBE-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCOC ZINC001160198160 801918734 /nfs/dbraw/zinc/91/87/34/801918734.db2.gz VECPENDFMDMIBE-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP COc1nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)ncc1C#N ZINC001160512455 801956377 /nfs/dbraw/zinc/95/63/77/801956377.db2.gz VQVMQAOWABGOFQ-CQSZACIVSA-N 2 1 288.355 0.192 20 30 CCEDMP C#C[C@](C)(N)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001160629020 801983130 /nfs/dbraw/zinc/98/31/30/801983130.db2.gz ODAMMWZOZIPAND-HNNXBMFYSA-N 2 1 282.432 0.069 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC)CCC1 ZINC001280485662 810025947 /nfs/dbraw/zinc/02/59/47/810025947.db2.gz RVHMTRYACDVWPD-ZDUSSCGKSA-N 2 1 263.385 0.732 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC)CCC1 ZINC001280485662 810025952 /nfs/dbraw/zinc/02/59/52/810025952.db2.gz RVHMTRYACDVWPD-ZDUSSCGKSA-N 2 1 263.385 0.732 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCF)CC1 ZINC001165545883 802853043 /nfs/dbraw/zinc/85/30/43/802853043.db2.gz STBPTVPQBSIZPD-AWEZNQCLSA-N 2 1 295.402 0.930 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCF)CC1 ZINC001165545883 802853051 /nfs/dbraw/zinc/85/30/51/802853051.db2.gz STBPTVPQBSIZPD-AWEZNQCLSA-N 2 1 295.402 0.930 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166626952 802927003 /nfs/dbraw/zinc/92/70/03/802927003.db2.gz MZMJLQRRPJKDDG-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166690414 802938371 /nfs/dbraw/zinc/93/83/71/802938371.db2.gz ABSSRTMERNRSKF-CHWSQXEVSA-N 2 1 251.374 0.303 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001166737009 802954289 /nfs/dbraw/zinc/95/42/89/802954289.db2.gz YILCSHUBNMFONG-UHFFFAOYSA-N 2 1 290.367 0.613 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001276448696 803072265 /nfs/dbraw/zinc/07/22/65/803072265.db2.gz YZNNFHBHUGPFGO-GFCCVEGCSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207683771 803437784 /nfs/dbraw/zinc/43/77/84/803437784.db2.gz HMVNIZFYCYMJDZ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207735086 803444411 /nfs/dbraw/zinc/44/44/11/803444411.db2.gz VNNMXWBVKLIWNS-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207735086 803444413 /nfs/dbraw/zinc/44/44/13/803444413.db2.gz VNNMXWBVKLIWNS-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208448267 803514751 /nfs/dbraw/zinc/51/47/51/803514751.db2.gz ZBHDCOSAMDQQGC-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C)[NH+](C)C ZINC001208698538 803538114 /nfs/dbraw/zinc/53/81/14/803538114.db2.gz BYRMEDLGKNBDHM-KFWWJZLASA-N 2 1 295.427 0.413 20 30 CCEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209634612 803618609 /nfs/dbraw/zinc/61/86/09/803618609.db2.gz GZTAMESFRYGHHU-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155544 803779422 /nfs/dbraw/zinc/77/94/22/803779422.db2.gz BHTYFJZAEDEXQF-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218918280 804158538 /nfs/dbraw/zinc/15/85/38/804158538.db2.gz DYSICEBBPLTSKA-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218918280 804158543 /nfs/dbraw/zinc/15/85/43/804158543.db2.gz DYSICEBBPLTSKA-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218918280 804158546 /nfs/dbraw/zinc/15/85/46/804158546.db2.gz DYSICEBBPLTSKA-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219848119 804432389 /nfs/dbraw/zinc/43/23/89/804432389.db2.gz GMQPOUQYIVLCCV-RDBSUJKOSA-N 2 1 283.416 0.310 20 30 CCEDMP CC(C)(NC(=O)[C@@H]([NH3+])CC[NH3+])c1ccc(C#N)cc1 ZINC001219989493 804466372 /nfs/dbraw/zinc/46/63/72/804466372.db2.gz CTAMHFWIMZLTCX-LBPRGKRZSA-N 2 1 260.341 0.586 20 30 CCEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276867 804558048 /nfs/dbraw/zinc/55/80/48/804558048.db2.gz LVCSSUNOETWGRP-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC001220868669 804683029 /nfs/dbraw/zinc/68/30/29/804683029.db2.gz OEMKHXVLIOZMNB-STQMWFEESA-N 2 1 251.374 0.895 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976435 804713150 /nfs/dbraw/zinc/71/31/50/804713150.db2.gz ZGVVSYQLJRFDKT-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976435 804713151 /nfs/dbraw/zinc/71/31/51/804713151.db2.gz ZGVVSYQLJRFDKT-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976435 804713154 /nfs/dbraw/zinc/71/31/54/804713154.db2.gz ZGVVSYQLJRFDKT-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093440 804730721 /nfs/dbraw/zinc/73/07/21/804730721.db2.gz NAJTZVADJWFSBY-ZNMIVQPWSA-N 2 1 297.443 0.843 20 30 CCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093440 804730724 /nfs/dbraw/zinc/73/07/24/804730724.db2.gz NAJTZVADJWFSBY-ZNMIVQPWSA-N 2 1 297.443 0.843 20 30 CCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093440 804730725 /nfs/dbraw/zinc/73/07/25/804730725.db2.gz NAJTZVADJWFSBY-ZNMIVQPWSA-N 2 1 297.443 0.843 20 30 CCEDMP CC#CCN1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001221973607 804856260 /nfs/dbraw/zinc/85/62/60/804856260.db2.gz FNVXQSARSFVWFX-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001221973607 804856266 /nfs/dbraw/zinc/85/62/66/804856266.db2.gz FNVXQSARSFVWFX-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001221973607 804856274 /nfs/dbraw/zinc/85/62/74/804856274.db2.gz FNVXQSARSFVWFX-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001221973607 804856280 /nfs/dbraw/zinc/85/62/80/804856280.db2.gz FNVXQSARSFVWFX-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001276909221 804985033 /nfs/dbraw/zinc/98/50/33/804985033.db2.gz PBIHLNJMIRUFSL-GFCCVEGCSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001276909221 804985038 /nfs/dbraw/zinc/98/50/38/804985038.db2.gz PBIHLNJMIRUFSL-GFCCVEGCSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001276956539 805015316 /nfs/dbraw/zinc/01/53/16/805015316.db2.gz NRLAFYDMJMJYEP-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001276956539 805015326 /nfs/dbraw/zinc/01/53/26/805015326.db2.gz NRLAFYDMJMJYEP-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001276956539 805015335 /nfs/dbraw/zinc/01/53/35/805015335.db2.gz NRLAFYDMJMJYEP-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001226554353 805245830 /nfs/dbraw/zinc/24/58/30/805245830.db2.gz KRQSJVYVIAOKJC-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246583211 807305525 /nfs/dbraw/zinc/30/55/25/807305525.db2.gz ISBXIBRVYKYZHW-UGFHNGPFSA-N 2 1 259.353 0.741 20 30 CCEDMP C=CCOC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001252483295 807888497 /nfs/dbraw/zinc/88/84/97/807888497.db2.gz SEIJKBAZKUVVOK-KBPBESRZSA-N 2 1 256.390 0.871 20 30 CCEDMP C=C[C@@H](O)C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001253577202 808085223 /nfs/dbraw/zinc/08/52/23/808085223.db2.gz KKNQWCUOPBPLBX-OAHLLOKOSA-N 2 1 290.411 0.884 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001278828742 808300963 /nfs/dbraw/zinc/30/09/63/808300963.db2.gz PSONUVJOXFZTSI-INIZCTEOSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278828742 808300970 /nfs/dbraw/zinc/30/09/70/808300970.db2.gz PSONUVJOXFZTSI-INIZCTEOSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278828742 808300978 /nfs/dbraw/zinc/30/09/78/808300978.db2.gz PSONUVJOXFZTSI-INIZCTEOSA-N 2 1 297.443 0.846 20 30 CCEDMP CC[C@H](CC#N)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC ZINC001255155119 808324219 /nfs/dbraw/zinc/32/42/19/808324219.db2.gz LSPFQEGFPPWXON-ZJUUUORDSA-N 2 1 269.349 0.073 20 30 CCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001278865496 808357346 /nfs/dbraw/zinc/35/73/46/808357346.db2.gz ZMNPNZIHGVVMSU-LSDHHAIUSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001278865496 808357353 /nfs/dbraw/zinc/35/73/53/808357353.db2.gz ZMNPNZIHGVVMSU-LSDHHAIUSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001278865496 808357362 /nfs/dbraw/zinc/35/73/62/808357362.db2.gz ZMNPNZIHGVVMSU-LSDHHAIUSA-N 2 1 297.443 0.798 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001263926454 809608133 /nfs/dbraw/zinc/60/81/33/809608133.db2.gz QWQDFGIHQBYFFZ-SOUVJXGZSA-N 2 1 277.412 0.836 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001264165239 809636007 /nfs/dbraw/zinc/63/60/07/809636007.db2.gz DHYUHRRKFOZGJY-HIFRSBDPSA-N 2 1 295.427 0.862 20 30 CCEDMP COCC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001265021158 809694362 /nfs/dbraw/zinc/69/43/62/809694362.db2.gz GRHRUYTYAVBJAF-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP COCC#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001265021158 809694369 /nfs/dbraw/zinc/69/43/69/809694369.db2.gz GRHRUYTYAVBJAF-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP COCC#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001265021158 809694374 /nfs/dbraw/zinc/69/43/74/809694374.db2.gz GRHRUYTYAVBJAF-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076567803 815312374 /nfs/dbraw/zinc/31/23/74/815312374.db2.gz JEDCDITZNYPMRA-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076567803 815312379 /nfs/dbraw/zinc/31/23/79/815312379.db2.gz JEDCDITZNYPMRA-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076567803 815312383 /nfs/dbraw/zinc/31/23/83/815312383.db2.gz JEDCDITZNYPMRA-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265604588 809813519 /nfs/dbraw/zinc/81/35/19/809813519.db2.gz GNFLRVLXYWWDTO-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265604588 809813523 /nfs/dbraw/zinc/81/35/23/809813523.db2.gz GNFLRVLXYWWDTO-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001265942194 809900456 /nfs/dbraw/zinc/90/04/56/809900456.db2.gz YRDFMSXBBWYTKG-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083273826 811425704 /nfs/dbraw/zinc/42/57/04/811425704.db2.gz JXCWTRLGFSNBHJ-HZSPNIEDSA-N 2 1 279.384 0.036 20 30 CCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083273826 811425707 /nfs/dbraw/zinc/42/57/07/811425707.db2.gz JXCWTRLGFSNBHJ-HZSPNIEDSA-N 2 1 279.384 0.036 20 30 CCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083273826 811425708 /nfs/dbraw/zinc/42/57/08/811425708.db2.gz JXCWTRLGFSNBHJ-HZSPNIEDSA-N 2 1 279.384 0.036 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083273826 811425711 /nfs/dbraw/zinc/42/57/11/811425711.db2.gz JXCWTRLGFSNBHJ-HZSPNIEDSA-N 2 1 279.384 0.036 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001267734510 811703189 /nfs/dbraw/zinc/70/31/89/811703189.db2.gz LPZPXIYAEUFHCE-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)CC[NH+]1CCOCC1 ZINC001267822895 811818309 /nfs/dbraw/zinc/81/83/09/811818309.db2.gz XGBDWILJNGTDHQ-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268054922 812146542 /nfs/dbraw/zinc/14/65/42/812146542.db2.gz MUXUCCJGIRTWBG-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001268073881 812185772 /nfs/dbraw/zinc/18/57/72/812185772.db2.gz BUWPEERRWHRFOC-ZDUSSCGKSA-N 2 1 292.383 0.278 20 30 CCEDMP CC#CC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001279308080 812449326 /nfs/dbraw/zinc/44/93/26/812449326.db2.gz QSUXBBAAPPJDCM-NFOMZHRRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001268400203 812545146 /nfs/dbraw/zinc/54/51/46/812545146.db2.gz SQTVCBSVYOYHIU-JSGCOSHPSA-N 2 1 288.395 0.872 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028594492 812931889 /nfs/dbraw/zinc/93/18/89/812931889.db2.gz HLHOWAMHKCZMQD-KBPBESRZSA-N 2 1 286.379 0.832 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028594492 812931897 /nfs/dbraw/zinc/93/18/97/812931897.db2.gz HLHOWAMHKCZMQD-KBPBESRZSA-N 2 1 286.379 0.832 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001028600918 812955620 /nfs/dbraw/zinc/95/56/20/812955620.db2.gz FSUULZAVBZRAQX-CVEARBPZSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001028600918 812955621 /nfs/dbraw/zinc/95/56/21/812955621.db2.gz FSUULZAVBZRAQX-CVEARBPZSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001028600918 812955623 /nfs/dbraw/zinc/95/56/23/812955623.db2.gz FSUULZAVBZRAQX-CVEARBPZSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001028600918 812955625 /nfs/dbraw/zinc/95/56/25/812955625.db2.gz FSUULZAVBZRAQX-CVEARBPZSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268706483 813024999 /nfs/dbraw/zinc/02/49/99/813024999.db2.gz JSUWVUDABJMPQP-KBPBESRZSA-N 2 1 265.401 0.977 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268736691 813051389 /nfs/dbraw/zinc/05/13/89/813051389.db2.gz SJSISXUUDPEEIB-CQSZACIVSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269192252 813258797 /nfs/dbraw/zinc/25/87/97/813258797.db2.gz PYYWSIOMLVUBRQ-HUUCEWRRSA-N 2 1 297.443 0.966 20 30 CCEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001269511420 813398370 /nfs/dbraw/zinc/39/83/70/813398370.db2.gz YAUXZXMABKAAOI-QWHCGFSZSA-N 2 1 251.374 0.446 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001270150299 813653037 /nfs/dbraw/zinc/65/30/37/813653037.db2.gz HIBGGPFEEYBMDH-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001270389610 813743053 /nfs/dbraw/zinc/74/30/53/813743053.db2.gz ULLQWZMGKTYEMX-GJZGRUSLSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001270389610 813743056 /nfs/dbraw/zinc/74/30/56/813743056.db2.gz ULLQWZMGKTYEMX-GJZGRUSLSA-N 2 1 293.411 0.215 20 30 CCEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)CCN2CCOCC2)C1 ZINC001270640444 813867802 /nfs/dbraw/zinc/86/78/02/813867802.db2.gz BGBXOFXMMYECTK-INIZCTEOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001270640444 813867813 /nfs/dbraw/zinc/86/78/13/813867813.db2.gz BGBXOFXMMYECTK-INIZCTEOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001270640444 813867824 /nfs/dbraw/zinc/86/78/24/813867824.db2.gz BGBXOFXMMYECTK-INIZCTEOSA-N 2 1 295.427 0.865 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038912 816221444 /nfs/dbraw/zinc/22/14/44/816221444.db2.gz PNPAQLJLVUCXSO-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001089038912 816221448 /nfs/dbraw/zinc/22/14/48/816221448.db2.gz PNPAQLJLVUCXSO-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001089038912 816221454 /nfs/dbraw/zinc/22/14/54/816221454.db2.gz PNPAQLJLVUCXSO-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001121938913 816489953 /nfs/dbraw/zinc/48/99/53/816489953.db2.gz YRVFJAXAGKMBQP-QWHCGFSZSA-N 2 1 291.399 0.577 20 30 CCEDMP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553422 817203323 /nfs/dbraw/zinc/20/33/23/817203323.db2.gz KQTCCIONJHXAQU-RRFJBIMHSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001077553422 817203329 /nfs/dbraw/zinc/20/33/29/817203329.db2.gz KQTCCIONJHXAQU-RRFJBIMHSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553422 817203335 /nfs/dbraw/zinc/20/33/35/817203335.db2.gz KQTCCIONJHXAQU-RRFJBIMHSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001077553422 817203343 /nfs/dbraw/zinc/20/33/43/817203343.db2.gz KQTCCIONJHXAQU-RRFJBIMHSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001077553422 817203352 /nfs/dbraw/zinc/20/33/52/817203352.db2.gz KQTCCIONJHXAQU-RRFJBIMHSA-N 2 1 295.427 0.456 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681678 817240908 /nfs/dbraw/zinc/24/09/08/817240908.db2.gz FCDLGBQPYTWFJZ-TZMCWYRMSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031921014 817465533 /nfs/dbraw/zinc/46/55/33/817465533.db2.gz FIAIIHIDSRBROS-JSGCOSHPSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031921014 817465535 /nfs/dbraw/zinc/46/55/35/817465535.db2.gz FIAIIHIDSRBROS-JSGCOSHPSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221412 817732220 /nfs/dbraw/zinc/73/22/20/817732220.db2.gz QDBWUQHBRQUJLX-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221412 817732225 /nfs/dbraw/zinc/73/22/25/817732225.db2.gz QDBWUQHBRQUJLX-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033875706 818971868 /nfs/dbraw/zinc/97/18/68/818971868.db2.gz YTPOXNAOADTWED-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033875706 818971873 /nfs/dbraw/zinc/97/18/73/818971873.db2.gz YTPOXNAOADTWED-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C#N ZINC000702562872 819145720 /nfs/dbraw/zinc/14/57/20/819145720.db2.gz NVGGVPGJSLSDSU-OAHLLOKOSA-N 2 1 275.352 0.723 20 30 CCEDMP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C#N ZINC000702562872 819145725 /nfs/dbraw/zinc/14/57/25/819145725.db2.gz NVGGVPGJSLSDSU-OAHLLOKOSA-N 2 1 275.352 0.723 20 30 CCEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034524517 819229082 /nfs/dbraw/zinc/22/90/82/819229082.db2.gz HCMJWFRTHMJSBG-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034524517 819229089 /nfs/dbraw/zinc/22/90/89/819229089.db2.gz HCMJWFRTHMJSBG-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034524517 819229095 /nfs/dbraw/zinc/22/90/95/819229095.db2.gz HCMJWFRTHMJSBG-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001034611166 819261350 /nfs/dbraw/zinc/26/13/50/819261350.db2.gz IMRWULBNIMVKIW-IHRRRGAJSA-N 2 1 263.385 0.731 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCC1 ZINC001273173547 820059363 /nfs/dbraw/zinc/05/93/63/820059363.db2.gz UNASKPYTMPEJOZ-UHFFFAOYSA-N 2 1 295.427 0.913 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083888010 820091077 /nfs/dbraw/zinc/09/10/77/820091077.db2.gz WFHRQPFNNSSGEV-CABCVRRESA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083888010 820091088 /nfs/dbraw/zinc/09/10/88/820091088.db2.gz WFHRQPFNNSSGEV-CABCVRRESA-N 2 1 295.427 0.456 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001080449806 820573656 /nfs/dbraw/zinc/57/36/56/820573656.db2.gz ZWFPYRJJDXUUNJ-RRFJBIMHSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001080449806 820573661 /nfs/dbraw/zinc/57/36/61/820573661.db2.gz ZWFPYRJJDXUUNJ-RRFJBIMHSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001080449806 820573668 /nfs/dbraw/zinc/57/36/68/820573668.db2.gz ZWFPYRJJDXUUNJ-RRFJBIMHSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080782775 820629749 /nfs/dbraw/zinc/62/97/49/820629749.db2.gz AMUYQDYKROYBSK-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001080782775 820629755 /nfs/dbraw/zinc/62/97/55/820629755.db2.gz AMUYQDYKROYBSK-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080782775 820629761 /nfs/dbraw/zinc/62/97/61/820629761.db2.gz AMUYQDYKROYBSK-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082135054 820906188 /nfs/dbraw/zinc/90/61/88/820906188.db2.gz NBZQBILVXCAIFS-RRFJBIMHSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662387 821341679 /nfs/dbraw/zinc/34/16/79/821341679.db2.gz HYVKJAQQVHGBIL-BZUAXINKSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662387 821341689 /nfs/dbraw/zinc/34/16/89/821341689.db2.gz HYVKJAQQVHGBIL-BZUAXINKSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662387 821341697 /nfs/dbraw/zinc/34/16/97/821341697.db2.gz HYVKJAQQVHGBIL-BZUAXINKSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085093100 821492724 /nfs/dbraw/zinc/49/27/24/821492724.db2.gz GLKONVPOONVQIY-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085093100 821492731 /nfs/dbraw/zinc/49/27/31/821492731.db2.gz GLKONVPOONVQIY-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085093100 821492736 /nfs/dbraw/zinc/49/27/36/821492736.db2.gz GLKONVPOONVQIY-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001085393784 821678202 /nfs/dbraw/zinc/67/82/02/821678202.db2.gz KLXGENREHMQUKA-RRFJBIMHSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598338 821841647 /nfs/dbraw/zinc/84/16/47/821841647.db2.gz REIIKQRKYMLRKE-CVEARBPZSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085671520 821891428 /nfs/dbraw/zinc/89/14/28/821891428.db2.gz ZHXKBSLGCYICAJ-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085671520 821891433 /nfs/dbraw/zinc/89/14/33/821891433.db2.gz ZHXKBSLGCYICAJ-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671520 821891440 /nfs/dbraw/zinc/89/14/40/821891440.db2.gz ZHXKBSLGCYICAJ-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671520 821891453 /nfs/dbraw/zinc/89/14/53/821891453.db2.gz ZHXKBSLGCYICAJ-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCN1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001108213596 821983964 /nfs/dbraw/zinc/98/39/64/821983964.db2.gz PJNJHKOXUWAUFA-GOEBONIOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCN1CCO[C@](C)(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001108213596 821983969 /nfs/dbraw/zinc/98/39/69/821983969.db2.gz PJNJHKOXUWAUFA-GOEBONIOSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001086085557 822106502 /nfs/dbraw/zinc/10/65/02/822106502.db2.gz JHOHKKUZDBVSBE-CAOSSQGBSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001086278427 822185602 /nfs/dbraw/zinc/18/56/02/822185602.db2.gz WFTFCUUUMHOOQF-QLFBSQMISA-N 2 1 277.412 0.978 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100083081 822254558 /nfs/dbraw/zinc/25/45/58/822254558.db2.gz MVBCNNONSXBRSF-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129422597 837504703 /nfs/dbraw/zinc/50/47/03/837504703.db2.gz JZPHGCSLKRNMEZ-LBPRGKRZSA-N 2 1 260.341 0.490 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129423858 837504963 /nfs/dbraw/zinc/50/49/63/837504963.db2.gz XWAKHICFTKTFLL-ZDUSSCGKSA-N 2 1 292.383 0.669 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCCC1 ZINC001129770392 837557837 /nfs/dbraw/zinc/55/78/37/837557837.db2.gz FRCJTMLUCXLKQH-HNNXBMFYSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCCC1 ZINC001129770392 837557848 /nfs/dbraw/zinc/55/78/48/837557848.db2.gz FRCJTMLUCXLKQH-HNNXBMFYSA-N 2 1 277.412 0.980 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130192489 837719061 /nfs/dbraw/zinc/71/90/61/837719061.db2.gz NRPDMERPLFQCSB-CHWSQXEVSA-N 2 1 251.374 0.895 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183772435 844085102 /nfs/dbraw/zinc/08/51/02/844085102.db2.gz HSAXANJJGSIOIC-GFCCVEGCSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001108394072 836000801 /nfs/dbraw/zinc/00/08/01/836000801.db2.gz CXATWDPLYNHWJM-HOCLYGCPSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108394072 836000810 /nfs/dbraw/zinc/00/08/10/836000810.db2.gz CXATWDPLYNHWJM-HOCLYGCPSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394072 836000819 /nfs/dbraw/zinc/00/08/19/836000819.db2.gz CXATWDPLYNHWJM-HOCLYGCPSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394072 836000829 /nfs/dbraw/zinc/00/08/29/836000829.db2.gz CXATWDPLYNHWJM-HOCLYGCPSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169982705 836632023 /nfs/dbraw/zinc/63/20/23/836632023.db2.gz NQNNRJGDXFGEIH-UONOGXRCSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169982705 836632028 /nfs/dbraw/zinc/63/20/28/836632028.db2.gz NQNNRJGDXFGEIH-UONOGXRCSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109446493 836681336 /nfs/dbraw/zinc/68/13/36/836681336.db2.gz RKSRXLFMAMQTTF-RQJABVFESA-N 2 1 263.385 0.681 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109446493 836681339 /nfs/dbraw/zinc/68/13/39/836681339.db2.gz RKSRXLFMAMQTTF-RQJABVFESA-N 2 1 263.385 0.681 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090432117 836762229 /nfs/dbraw/zinc/76/22/29/836762229.db2.gz IJNRSKRZDDBHHV-KBPBESRZSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090432117 836762236 /nfs/dbraw/zinc/76/22/36/836762236.db2.gz IJNRSKRZDDBHHV-KBPBESRZSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090432118 836762934 /nfs/dbraw/zinc/76/29/34/836762934.db2.gz IJNRSKRZDDBHHV-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090432118 836762939 /nfs/dbraw/zinc/76/29/39/836762939.db2.gz IJNRSKRZDDBHHV-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184311176 844198893 /nfs/dbraw/zinc/19/88/93/844198893.db2.gz ZXHOSAYZJITKFI-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467613 837153632 /nfs/dbraw/zinc/15/36/32/837153632.db2.gz LNWPNGBFDWWWQO-UHFFFAOYSA-N 2 1 297.443 0.800 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273487897 844259891 /nfs/dbraw/zinc/25/98/91/844259891.db2.gz UUEBSRHIJUSVEC-INIZCTEOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130648248 837878911 /nfs/dbraw/zinc/87/89/11/837878911.db2.gz KVTXSSYVZLJOAC-UHFFFAOYSA-N 2 1 296.371 0.258 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277408 838352450 /nfs/dbraw/zinc/35/24/50/838352450.db2.gz GWGCPNCBPWRAHP-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001132736902 838481120 /nfs/dbraw/zinc/48/11/20/838481120.db2.gz FPOZQAQTYRTFJD-AWEZNQCLSA-N 2 1 265.401 0.838 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848711 838506692 /nfs/dbraw/zinc/50/66/92/838506692.db2.gz PMBZHDCTXZOGGU-CYBMUJFWSA-N 2 1 269.389 0.378 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133869808 838759780 /nfs/dbraw/zinc/75/97/80/838759780.db2.gz LQFOBMNUUSTCBJ-LBPRGKRZSA-N 2 1 260.341 0.093 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102866 839162399 /nfs/dbraw/zinc/16/23/99/839162399.db2.gz PMILORVGOXYNRL-LSDHHAIUSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001135975697 839489336 /nfs/dbraw/zinc/48/93/36/839489336.db2.gz ASYSGAFYZSALGG-STQMWFEESA-N 2 1 253.390 0.834 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090817221 839828208 /nfs/dbraw/zinc/82/82/08/839828208.db2.gz SBLLUMLJXUNAPF-KGLIPLIRSA-N 2 1 281.400 0.210 20 30 CCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001090971200 839934130 /nfs/dbraw/zinc/93/41/30/839934130.db2.gz SHGMJAYBBOYKTA-RUXDESIVSA-N 2 1 281.400 0.378 20 30 CCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001090971200 839934143 /nfs/dbraw/zinc/93/41/43/839934143.db2.gz SHGMJAYBBOYKTA-RUXDESIVSA-N 2 1 281.400 0.378 20 30 CCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001171308523 840608704 /nfs/dbraw/zinc/60/87/04/840608704.db2.gz TZEWUUCKIIISHO-CVEARBPZSA-N 2 1 289.423 0.982 20 30 CCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001171308523 840608709 /nfs/dbraw/zinc/60/87/09/840608709.db2.gz TZEWUUCKIIISHO-CVEARBPZSA-N 2 1 289.423 0.982 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216332 840765094 /nfs/dbraw/zinc/76/50/94/840765094.db2.gz NKMJXPTXDIWRSN-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148578133 840848159 /nfs/dbraw/zinc/84/81/59/840848159.db2.gz OJMRMBKVZWBOSM-UHFFFAOYSA-N 2 1 271.405 0.627 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092272574 841003012 /nfs/dbraw/zinc/00/30/12/841003012.db2.gz GGSUDSHOYRRBDH-FMKPAKJESA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272574 841003017 /nfs/dbraw/zinc/00/30/17/841003017.db2.gz GGSUDSHOYRRBDH-FMKPAKJESA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272574 841003023 /nfs/dbraw/zinc/00/30/23/841003023.db2.gz GGSUDSHOYRRBDH-FMKPAKJESA-N 2 1 277.412 0.904 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001095057756 842017409 /nfs/dbraw/zinc/01/74/09/842017409.db2.gz UDUXCTYJAXDHFF-ZNMIVQPWSA-N 2 1 286.379 0.794 20 30 CCEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001151049662 843551189 /nfs/dbraw/zinc/55/11/89/843551189.db2.gz VQJGFMUSMDOAEE-OAHLLOKOSA-N 2 1 286.379 0.716 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001183076056 843959178 /nfs/dbraw/zinc/95/91/78/843959178.db2.gz OSNOHFSPNBYSLX-AWEZNQCLSA-N 2 1 293.411 0.570 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106269 844645223 /nfs/dbraw/zinc/64/52/23/844645223.db2.gz DDEOSCZHTOTHMQ-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+](C)CCCN(C)C(=O)CC[N@H+](C)CC ZINC001273578090 845097962 /nfs/dbraw/zinc/09/79/62/845097962.db2.gz LHQWKDZHMBUMLZ-UHFFFAOYSA-N 2 1 253.390 0.742 20 30 CCEDMP C#CC[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)CC ZINC001273578090 845097964 /nfs/dbraw/zinc/09/79/64/845097964.db2.gz LHQWKDZHMBUMLZ-UHFFFAOYSA-N 2 1 253.390 0.742 20 30 CCEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189517261 845154130 /nfs/dbraw/zinc/15/41/30/845154130.db2.gz PBABBRGMNAOXJR-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517261 845154115 /nfs/dbraw/zinc/15/41/15/845154115.db2.gz PBABBRGMNAOXJR-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517261 845154120 /nfs/dbraw/zinc/15/41/20/845154120.db2.gz PBABBRGMNAOXJR-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189517261 845154126 /nfs/dbraw/zinc/15/41/26/845154126.db2.gz PBABBRGMNAOXJR-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189879328 845248937 /nfs/dbraw/zinc/24/89/37/845248937.db2.gz AISPIFCKMNHYKK-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192399152 845846358 /nfs/dbraw/zinc/84/63/58/845846358.db2.gz VOUTZQQVCGGTCQ-KBPBESRZSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194154691 846223962 /nfs/dbraw/zinc/22/39/62/846223962.db2.gz MRLPKLLLUNPGCN-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001194154691 846223970 /nfs/dbraw/zinc/22/39/70/846223970.db2.gz MRLPKLLLUNPGCN-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001194154691 846223976 /nfs/dbraw/zinc/22/39/76/846223976.db2.gz MRLPKLLLUNPGCN-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194154691 846223985 /nfs/dbraw/zinc/22/39/85/846223985.db2.gz MRLPKLLLUNPGCN-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194154691 846223992 /nfs/dbraw/zinc/22/39/92/846223992.db2.gz MRLPKLLLUNPGCN-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194155808 846225550 /nfs/dbraw/zinc/22/55/50/846225550.db2.gz VXMRUSFKOJSBOK-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001194155808 846225580 /nfs/dbraw/zinc/22/55/80/846225580.db2.gz VXMRUSFKOJSBOK-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194155808 846225595 /nfs/dbraw/zinc/22/55/95/846225595.db2.gz VXMRUSFKOJSBOK-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194155808 846225605 /nfs/dbraw/zinc/22/56/05/846225605.db2.gz VXMRUSFKOJSBOK-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203794823 846303072 /nfs/dbraw/zinc/30/30/72/846303072.db2.gz ZCMQHHBVQMOFBR-UONOGXRCSA-N 2 1 277.412 0.977 20 30 CCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671245 847152084 /nfs/dbraw/zinc/15/20/84/847152084.db2.gz DGPMVFYFLFJJMA-RRFJBIMHSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671245 847152090 /nfs/dbraw/zinc/15/20/90/847152090.db2.gz DGPMVFYFLFJJMA-RRFJBIMHSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCOC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001252473982 847979536 /nfs/dbraw/zinc/97/95/36/847979536.db2.gz UKVPGAXBNUPNGI-QLFBSQMISA-N 2 1 268.401 0.824 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252473982 847979541 /nfs/dbraw/zinc/97/95/41/847979541.db2.gz UKVPGAXBNUPNGI-QLFBSQMISA-N 2 1 268.401 0.824 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252473982 847979546 /nfs/dbraw/zinc/97/95/46/847979546.db2.gz UKVPGAXBNUPNGI-QLFBSQMISA-N 2 1 268.401 0.824 20 30 CCEDMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCC#N ZINC001274039681 848315127 /nfs/dbraw/zinc/31/51/27/848315127.db2.gz JXYZXHRHUKGZFI-ZIAGYGMSSA-N 2 1 278.400 0.917 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001274785909 848566713 /nfs/dbraw/zinc/56/67/13/848566713.db2.gz GLSGTVKSZKYDIF-CABCVRRESA-N 2 1 295.427 0.462 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001275720720 848799990 /nfs/dbraw/zinc/79/99/90/848799990.db2.gz LRZPIWQCDBSPFG-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001275720720 848799968 /nfs/dbraw/zinc/79/99/68/848799968.db2.gz LRZPIWQCDBSPFG-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001275720720 848799976 /nfs/dbraw/zinc/79/99/76/848799976.db2.gz LRZPIWQCDBSPFG-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001275720720 848799982 /nfs/dbraw/zinc/79/99/82/848799982.db2.gz LRZPIWQCDBSPFG-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCCC[NH+]1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001275975444 848878022 /nfs/dbraw/zinc/87/80/22/848878022.db2.gz DCWVPXNBDWZACE-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCCO)CC1 ZINC001276011479 848889532 /nfs/dbraw/zinc/88/95/32/848889532.db2.gz MKDHYRDHELLHPW-CQSZACIVSA-N 2 1 295.427 0.151 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110992359 849038466 /nfs/dbraw/zinc/03/84/66/849038466.db2.gz ZUCOMXSCMIJLLR-APIJFGDWSA-N 2 1 277.412 0.927 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114798257 849396597 /nfs/dbraw/zinc/39/65/97/849396597.db2.gz AIWUFHPPBOQHOX-ZOBORPQBSA-N 2 1 263.385 0.252 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001038628588 849723294 /nfs/dbraw/zinc/72/32/94/849723294.db2.gz RMRPPWZZZOODCI-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038628588 849723301 /nfs/dbraw/zinc/72/33/01/849723301.db2.gz RMRPPWZZZOODCI-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038628588 849723306 /nfs/dbraw/zinc/72/33/06/849723306.db2.gz RMRPPWZZZOODCI-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038810644 850023996 /nfs/dbraw/zinc/02/39/96/850023996.db2.gz QKFIQUGEWWPKBZ-AWEZNQCLSA-N 2 1 291.399 0.435 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038810644 850024002 /nfs/dbraw/zinc/02/40/02/850024002.db2.gz QKFIQUGEWWPKBZ-AWEZNQCLSA-N 2 1 291.399 0.435 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039026420 850127819 /nfs/dbraw/zinc/12/78/19/850127819.db2.gz GCIQIYPSDCXNMW-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039026420 850127820 /nfs/dbraw/zinc/12/78/20/850127820.db2.gz GCIQIYPSDCXNMW-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039026420 850127814 /nfs/dbraw/zinc/12/78/14/850127814.db2.gz GCIQIYPSDCXNMW-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC2CC2)CC1 ZINC001039042011 850135703 /nfs/dbraw/zinc/13/57/03/850135703.db2.gz LCJYXLCONKBEGK-INIZCTEOSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041832423 850510739 /nfs/dbraw/zinc/51/07/39/850510739.db2.gz YHEFALGQGPCYSD-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041832423 850510745 /nfs/dbraw/zinc/51/07/45/850510745.db2.gz YHEFALGQGPCYSD-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041832423 850510751 /nfs/dbraw/zinc/51/07/51/850510751.db2.gz YHEFALGQGPCYSD-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046830832 851626549 /nfs/dbraw/zinc/62/65/49/851626549.db2.gz BSIVAXGHPKDTII-ZFWWWQNUSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046830832 851626553 /nfs/dbraw/zinc/62/65/53/851626553.db2.gz BSIVAXGHPKDTII-ZFWWWQNUSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046830832 851626557 /nfs/dbraw/zinc/62/65/57/851626557.db2.gz BSIVAXGHPKDTII-ZFWWWQNUSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001047401167 851750720 /nfs/dbraw/zinc/75/07/20/851750720.db2.gz GTDCYEBTVKZIIM-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001047401167 851750724 /nfs/dbraw/zinc/75/07/24/851750724.db2.gz GTDCYEBTVKZIIM-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001047401167 851750731 /nfs/dbraw/zinc/75/07/31/851750731.db2.gz GTDCYEBTVKZIIM-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001047401167 851750735 /nfs/dbraw/zinc/75/07/35/851750735.db2.gz GTDCYEBTVKZIIM-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001047529040 851804405 /nfs/dbraw/zinc/80/44/05/851804405.db2.gz NTEQKKSQWGDERD-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001047529040 851804409 /nfs/dbraw/zinc/80/44/09/851804409.db2.gz NTEQKKSQWGDERD-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001047529040 851804414 /nfs/dbraw/zinc/80/44/14/851804414.db2.gz NTEQKKSQWGDERD-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047627924 851837323 /nfs/dbraw/zinc/83/73/23/851837323.db2.gz ABVFWYRBHIHYER-ILXRZTDVSA-N 2 1 295.427 0.408 20 30 CCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047627924 851837330 /nfs/dbraw/zinc/83/73/30/851837330.db2.gz ABVFWYRBHIHYER-ILXRZTDVSA-N 2 1 295.427 0.408 20 30 CCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047627924 851837333 /nfs/dbraw/zinc/83/73/33/851837333.db2.gz ABVFWYRBHIHYER-ILXRZTDVSA-N 2 1 295.427 0.408 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001049064534 852153482 /nfs/dbraw/zinc/15/34/82/852153482.db2.gz HKNSEXZCPAFOKA-MJBXVCDLSA-N 2 1 263.385 0.350 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596818 852318859 /nfs/dbraw/zinc/31/88/59/852318859.db2.gz WMHUKCZUJHZKMK-GJZGRUSLSA-N 2 1 286.379 0.890 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596818 852318867 /nfs/dbraw/zinc/31/88/67/852318867.db2.gz WMHUKCZUJHZKMK-GJZGRUSLSA-N 2 1 286.379 0.890 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050505 853303330 /nfs/dbraw/zinc/30/33/30/853303330.db2.gz DBVPXGSNZNQOLR-QKPAOTATSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050505 853303339 /nfs/dbraw/zinc/30/33/39/853303339.db2.gz DBVPXGSNZNQOLR-QKPAOTATSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050505 853303346 /nfs/dbraw/zinc/30/33/46/853303346.db2.gz DBVPXGSNZNQOLR-QKPAOTATSA-N 2 1 289.423 0.883 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050202728 853335313 /nfs/dbraw/zinc/33/53/13/853335313.db2.gz RSSYKEWDSVUWIY-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050202728 853335320 /nfs/dbraw/zinc/33/53/20/853335320.db2.gz RSSYKEWDSVUWIY-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050202728 853335325 /nfs/dbraw/zinc/33/53/25/853335325.db2.gz RSSYKEWDSVUWIY-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050203243 853336063 /nfs/dbraw/zinc/33/60/63/853336063.db2.gz ZAJUCDRYOOBILE-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050203243 853336071 /nfs/dbraw/zinc/33/60/71/853336071.db2.gz ZAJUCDRYOOBILE-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050203243 853336079 /nfs/dbraw/zinc/33/60/79/853336079.db2.gz ZAJUCDRYOOBILE-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052489351 853756981 /nfs/dbraw/zinc/75/69/81/853756981.db2.gz ONBDMKSGSJTKMZ-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052489351 853756987 /nfs/dbraw/zinc/75/69/87/853756987.db2.gz ONBDMKSGSJTKMZ-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489351 853756992 /nfs/dbraw/zinc/75/69/92/853756992.db2.gz ONBDMKSGSJTKMZ-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489351 853756998 /nfs/dbraw/zinc/75/69/98/853756998.db2.gz ONBDMKSGSJTKMZ-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001072916796 854494784 /nfs/dbraw/zinc/49/47/84/854494784.db2.gz VJFSYQWECACUBE-GJZGRUSLSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001072916796 854494792 /nfs/dbraw/zinc/49/47/92/854494792.db2.gz VJFSYQWECACUBE-GJZGRUSLSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001072916796 854494797 /nfs/dbraw/zinc/49/47/97/854494797.db2.gz VJFSYQWECACUBE-GJZGRUSLSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001074561552 854748117 /nfs/dbraw/zinc/74/81/17/854748117.db2.gz DKRWQTDRVFVCLB-RWMBFGLXSA-N 2 1 251.374 0.846 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001074686161 854766312 /nfs/dbraw/zinc/76/63/12/854766312.db2.gz SSFZUFYTVFHWII-IHRRRGAJSA-N 2 1 286.379 0.973 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099878970 855017800 /nfs/dbraw/zinc/01/78/00/855017800.db2.gz CEBKDRKXSHFHOG-HUUCEWRRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099878970 855017808 /nfs/dbraw/zinc/01/78/08/855017808.db2.gz CEBKDRKXSHFHOG-HUUCEWRRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099878970 855017811 /nfs/dbraw/zinc/01/78/11/855017811.db2.gz CEBKDRKXSHFHOG-HUUCEWRRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973705 855058423 /nfs/dbraw/zinc/05/84/23/855058423.db2.gz HPLJGRMXSLMXMH-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124737 855102411 /nfs/dbraw/zinc/10/24/11/855102411.db2.gz MOKJGYSKBWNZAQ-GJZGRUSLSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132687 855103993 /nfs/dbraw/zinc/10/39/93/855103993.db2.gz XMRPWWFXWXMQDQ-KBPBESRZSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132687 855103994 /nfs/dbraw/zinc/10/39/94/855103994.db2.gz XMRPWWFXWXMQDQ-KBPBESRZSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132687 855103997 /nfs/dbraw/zinc/10/39/97/855103997.db2.gz XMRPWWFXWXMQDQ-KBPBESRZSA-N 2 1 283.416 0.454 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001100678826 855207994 /nfs/dbraw/zinc/20/79/94/855207994.db2.gz YQOGJMFUMUYKLI-HSBZDZAISA-N 2 1 263.385 0.446 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001100873012 855232810 /nfs/dbraw/zinc/23/28/10/855232810.db2.gz RHGRRZSRKWAZHC-HSBZDZAISA-N 2 1 263.385 0.446 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001100922542 855239118 /nfs/dbraw/zinc/23/91/18/855239118.db2.gz JUCYHERNWDXNBM-DQPZFDDXSA-N 2 1 289.423 0.980 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102155715 855416379 /nfs/dbraw/zinc/41/63/79/855416379.db2.gz CNHKGEFFSKEHPM-TZMCWYRMSA-N 2 1 274.368 0.509 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102155715 855416375 /nfs/dbraw/zinc/41/63/75/855416375.db2.gz CNHKGEFFSKEHPM-TZMCWYRMSA-N 2 1 274.368 0.509 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366972 855431494 /nfs/dbraw/zinc/43/14/94/855431494.db2.gz WWYWMSURARGJMZ-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366972 855431498 /nfs/dbraw/zinc/43/14/98/855431498.db2.gz WWYWMSURARGJMZ-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366972 855431499 /nfs/dbraw/zinc/43/14/99/855431499.db2.gz WWYWMSURARGJMZ-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001115241063 855653645 /nfs/dbraw/zinc/65/36/45/855653645.db2.gz BDRYAMKZHJKPFH-BYNSBNAKSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115241063 855653647 /nfs/dbraw/zinc/65/36/47/855653647.db2.gz BDRYAMKZHJKPFH-BYNSBNAKSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115241063 855653650 /nfs/dbraw/zinc/65/36/50/855653650.db2.gz BDRYAMKZHJKPFH-BYNSBNAKSA-N 2 1 277.412 0.951 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001325596098 913483318 /nfs/dbraw/zinc/48/33/18/913483318.db2.gz NMLKJFHXERAJEY-OCCSQVGLSA-N 2 1 274.368 0.509 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001325865138 913614580 /nfs/dbraw/zinc/61/45/80/913614580.db2.gz MAIWPLBWLNZUBP-HOCLYGCPSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CC=C)CC1 ZINC001481018803 892064801 /nfs/dbraw/zinc/06/48/01/892064801.db2.gz HKSGQMSQCVAKKB-UHFFFAOYSA-N 2 1 277.412 0.956 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C/C=C/Cl ZINC001481242568 892420579 /nfs/dbraw/zinc/42/05/79/892420579.db2.gz OWCWEBKKWPOUGV-IYNGYCSASA-N 2 1 283.803 0.885 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C/C=C/Cl ZINC001481242568 892420586 /nfs/dbraw/zinc/42/05/86/892420586.db2.gz OWCWEBKKWPOUGV-IYNGYCSASA-N 2 1 283.803 0.885 20 30 CCEDMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001500358561 893786003 /nfs/dbraw/zinc/78/60/03/893786003.db2.gz UKWGZVSTYBDMNA-ZBFHGGJFSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001482321030 893852414 /nfs/dbraw/zinc/85/24/14/893852414.db2.gz YNSIDZCIMZOGDU-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001482737394 894554700 /nfs/dbraw/zinc/55/47/00/894554700.db2.gz LTKINIRPKMRWMT-CABCVRRESA-N 2 1 293.411 0.093 20 30 CCEDMP C#CC[NH2+]CCN(CC)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482950495 894729179 /nfs/dbraw/zinc/72/91/79/894729179.db2.gz UFRZJBDLUAMJIR-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC[C@@H](C)O ZINC001483236468 895280428 /nfs/dbraw/zinc/28/04/28/895280428.db2.gz HAVVUONXMFUZFK-ZNMIVQPWSA-N 2 1 295.427 0.339 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC[C@@H](C)O ZINC001483236468 895280437 /nfs/dbraw/zinc/28/04/37/895280437.db2.gz HAVVUONXMFUZFK-ZNMIVQPWSA-N 2 1 295.427 0.339 20 30 CCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001326507369 913992701 /nfs/dbraw/zinc/99/27/01/913992701.db2.gz CARPKHHASNMJFI-RBSFLKMASA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001326507369 913992711 /nfs/dbraw/zinc/99/27/11/913992711.db2.gz CARPKHHASNMJFI-RBSFLKMASA-N 2 1 293.411 0.215 20 30 CCEDMP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001483959385 896132902 /nfs/dbraw/zinc/13/29/02/896132902.db2.gz SGEGSVHHIATSBP-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484521433 896459481 /nfs/dbraw/zinc/45/94/81/896459481.db2.gz RLVJDWZDICTKCK-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001484842539 896620569 /nfs/dbraw/zinc/62/05/69/896620569.db2.gz UVVCILIKOPYMCZ-MRXNPFEDSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485303019 896944384 /nfs/dbraw/zinc/94/43/84/896944384.db2.gz OYGKDEDVULPBGJ-TZMCWYRMSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001485705769 897186748 /nfs/dbraw/zinc/18/67/48/897186748.db2.gz XWIACRUXBTYMGG-BIQWYFBQSA-N 2 1 277.412 0.977 20 30 CCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001485774531 897240139 /nfs/dbraw/zinc/24/01/39/897240139.db2.gz UGVQLJHHHLQZRJ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001485774531 897240154 /nfs/dbraw/zinc/24/01/54/897240154.db2.gz UGVQLJHHHLQZRJ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001485774531 897240170 /nfs/dbraw/zinc/24/01/70/897240170.db2.gz UGVQLJHHHLQZRJ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408710 897886138 /nfs/dbraw/zinc/88/61/38/897886138.db2.gz YZROIHXMHYWKSV-ZIAGYGMSSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408710 897886148 /nfs/dbraw/zinc/88/61/48/897886148.db2.gz YZROIHXMHYWKSV-ZIAGYGMSSA-N 2 1 293.411 0.309 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049213039 897895940 /nfs/dbraw/zinc/89/59/40/897895940.db2.gz IWCSICGRJASLDA-KFWWJZLASA-N 2 1 277.412 0.904 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213039 897895950 /nfs/dbraw/zinc/89/59/50/897895950.db2.gz IWCSICGRJASLDA-KFWWJZLASA-N 2 1 277.412 0.904 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213039 897895962 /nfs/dbraw/zinc/89/59/62/897895962.db2.gz IWCSICGRJASLDA-KFWWJZLASA-N 2 1 277.412 0.904 20 30 CCEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001485838641 898364271 /nfs/dbraw/zinc/36/42/71/898364271.db2.gz VRIJRBKOSBZQQU-HUUCEWRRSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001485838641 898364285 /nfs/dbraw/zinc/36/42/85/898364285.db2.gz VRIJRBKOSBZQQU-HUUCEWRRSA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001486184012 898701952 /nfs/dbraw/zinc/70/19/52/898701952.db2.gz PBYNZWDCZBSXAH-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001486184012 898701963 /nfs/dbraw/zinc/70/19/63/898701963.db2.gz PBYNZWDCZBSXAH-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC ZINC001327213686 914421158 /nfs/dbraw/zinc/42/11/58/914421158.db2.gz UHFREYODRRUMIN-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC ZINC001327213686 914421164 /nfs/dbraw/zinc/42/11/64/914421164.db2.gz UHFREYODRRUMIN-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC ZINC001327213686 914421170 /nfs/dbraw/zinc/42/11/70/914421170.db2.gz UHFREYODRRUMIN-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC ZINC001327213686 914421175 /nfs/dbraw/zinc/42/11/75/914421175.db2.gz UHFREYODRRUMIN-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC ZINC001327213686 914421180 /nfs/dbraw/zinc/42/11/80/914421180.db2.gz UHFREYODRRUMIN-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001490172652 900557452 /nfs/dbraw/zinc/55/74/52/900557452.db2.gz UCQVKXVCWNOPSB-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001490172652 900557460 /nfs/dbraw/zinc/55/74/60/900557460.db2.gz UCQVKXVCWNOPSB-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001490172652 900557471 /nfs/dbraw/zinc/55/74/71/900557471.db2.gz UCQVKXVCWNOPSB-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001490172652 900557477 /nfs/dbraw/zinc/55/74/77/900557477.db2.gz UCQVKXVCWNOPSB-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@H+](C)CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001319999841 900913780 /nfs/dbraw/zinc/91/37/80/900913780.db2.gz SLGJSVIHRBPXNY-UHFFFAOYSA-N 2 1 293.415 0.635 20 30 CCEDMP C#CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001282045696 904396215 /nfs/dbraw/zinc/39/62/15/904396215.db2.gz LAFSWLRYVYGDMU-LQULJDIASA-N 2 1 277.412 0.834 20 30 CCEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001283189969 904739384 /nfs/dbraw/zinc/73/93/84/904739384.db2.gz BTINEVNQRFWOFT-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001283755905 904996424 /nfs/dbraw/zinc/99/64/24/904996424.db2.gz KOYCMUFGQYLFAS-HUUCEWRRSA-N 2 1 297.443 0.892 20 30 CCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001284479721 905315568 /nfs/dbraw/zinc/31/55/68/905315568.db2.gz ZMHUYRAFPUNFMU-HUUCEWRRSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001491812111 907614473 /nfs/dbraw/zinc/61/44/73/907614473.db2.gz ISSHXXGNIJGGIS-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001316828903 908790598 /nfs/dbraw/zinc/79/05/98/908790598.db2.gz AHBGXBMCIATNIF-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001317310680 909133993 /nfs/dbraw/zinc/13/39/93/909133993.db2.gz WHEOAJNJEGEXJE-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001317310680 909134001 /nfs/dbraw/zinc/13/40/01/909134001.db2.gz WHEOAJNJEGEXJE-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001317801454 909504882 /nfs/dbraw/zinc/50/48/82/909504882.db2.gz PGSQRQKFGKRUAH-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001319131969 909999015 /nfs/dbraw/zinc/99/90/15/909999015.db2.gz FABLMQYBAIKLCN-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001319131969 909999030 /nfs/dbraw/zinc/99/90/30/909999030.db2.gz FABLMQYBAIKLCN-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001319268732 910065376 /nfs/dbraw/zinc/06/53/76/910065376.db2.gz FBZUQUYINBSOMI-HUUCEWRRSA-N 2 1 295.427 0.320 20 30 CCEDMP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001321418918 911293375 /nfs/dbraw/zinc/29/33/75/911293375.db2.gz LZMGUEPLNAXDEX-LMVHVUTASA-N 2 1 263.385 0.756 20 30 CCEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001322452774 911811896 /nfs/dbraw/zinc/81/18/96/911811896.db2.gz SXWRNKHVQWSCPJ-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001322452774 911811900 /nfs/dbraw/zinc/81/19/00/911811900.db2.gz SXWRNKHVQWSCPJ-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001329592220 916044432 /nfs/dbraw/zinc/04/44/32/916044432.db2.gz MCKGQMWKXXJHEM-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001329592220 916044443 /nfs/dbraw/zinc/04/44/43/916044443.db2.gz MCKGQMWKXXJHEM-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001329592220 916044462 /nfs/dbraw/zinc/04/44/62/916044462.db2.gz MCKGQMWKXXJHEM-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001330405257 916612112 /nfs/dbraw/zinc/61/21/12/916612112.db2.gz QOGRXIXBSQXUCD-UONOGXRCSA-N 2 1 292.383 0.583 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CCC ZINC001331610254 917450565 /nfs/dbraw/zinc/45/05/65/917450565.db2.gz BAWGSMYHIIFFMU-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C=CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001331740999 917567126 /nfs/dbraw/zinc/56/71/26/917567126.db2.gz SHWFJANJBMASAW-CYBMUJFWSA-N 2 1 297.443 0.892 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001332550248 918268411 /nfs/dbraw/zinc/26/84/11/918268411.db2.gz GFEOIOCTXBQMRR-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001332634498 918331473 /nfs/dbraw/zinc/33/14/73/918331473.db2.gz XGYGQIMGFCLHDL-CABCVRRESA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001332634498 918331489 /nfs/dbraw/zinc/33/14/89/918331489.db2.gz XGYGQIMGFCLHDL-CABCVRRESA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001332634498 918331505 /nfs/dbraw/zinc/33/15/05/918331505.db2.gz XGYGQIMGFCLHDL-CABCVRRESA-N 2 1 297.443 0.798 20 30 CCEDMP CC#CC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001333153202 918690212 /nfs/dbraw/zinc/69/02/12/918690212.db2.gz KIDXWWUIXFIURB-UHFFFAOYSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC001335986128 920544242 /nfs/dbraw/zinc/54/42/42/920544242.db2.gz KCVUIBVYKXDSSY-IAGOWNOFSA-N 2 1 294.439 0.976 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC001336785951 921007620 /nfs/dbraw/zinc/00/76/20/921007620.db2.gz WAYJWTAXINJXJJ-CQSZACIVSA-N 2 1 266.385 0.340 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC001340192810 922003575 /nfs/dbraw/zinc/00/35/75/922003575.db2.gz ZKDVLJKGUABIOT-ZDUSSCGKSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[NH2+]CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC001341662292 922611273 /nfs/dbraw/zinc/61/12/73/922611273.db2.gz KCKLWLAOSVVBEW-UHFFFAOYSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC001341665863 922615440 /nfs/dbraw/zinc/61/54/40/922615440.db2.gz RHPXNNZUMQWOSQ-AWEZNQCLSA-N 2 1 275.327 0.521 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001342157531 922839079 /nfs/dbraw/zinc/83/90/79/922839079.db2.gz WGHHQCCSUHJWAA-GFCCVEGCSA-N 2 1 288.823 0.162 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001342157531 922839092 /nfs/dbraw/zinc/83/90/92/922839092.db2.gz WGHHQCCSUHJWAA-GFCCVEGCSA-N 2 1 288.823 0.162 20 30 CCEDMP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1C[N@@H+](C)CCN1C ZINC001346229652 924121358 /nfs/dbraw/zinc/12/13/58/924121358.db2.gz VPJQHWIGFDVNNK-IHRRRGAJSA-N 2 1 295.431 0.148 20 30 CCEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]([NH3+])CCCC#N ZINC001348860965 924831058 /nfs/dbraw/zinc/83/10/58/924831058.db2.gz SHMKVDZWPGSGAI-JHJVBQTASA-N 2 1 266.389 0.806 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001426054464 928741096 /nfs/dbraw/zinc/74/10/96/928741096.db2.gz OUPVWXJOCWIHFP-GFCCVEGCSA-N 2 1 291.823 0.488 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])o1 ZINC000600769631 362058695 /nfs/dbraw/zinc/05/86/95/362058695.db2.gz PYFDFGRWQLEUTA-LBPRGKRZSA-N 2 1 290.367 0.971 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])o1 ZINC000600769631 362058698 /nfs/dbraw/zinc/05/86/98/362058698.db2.gz PYFDFGRWQLEUTA-LBPRGKRZSA-N 2 1 290.367 0.971 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000592955869 359995135 /nfs/dbraw/zinc/99/51/35/359995135.db2.gz PKPGMVJTFJBKLI-KGLIPLIRSA-N 2 1 294.399 0.331 20 30 CCEDMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594442421 360311464 /nfs/dbraw/zinc/31/14/64/360311464.db2.gz FVFKBMWCBXWLFH-CYBMUJFWSA-N 2 1 266.389 0.950 20 30 CCEDMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595944561 360722603 /nfs/dbraw/zinc/72/26/03/360722603.db2.gz NPDXJYIMMUMRSL-NEPJUHHUSA-N 2 1 252.362 0.608 20 30 CCEDMP C[NH+](C)CCC[N@H+](C)CCNc1cncc(C#N)n1 ZINC000596423732 360890277 /nfs/dbraw/zinc/89/02/77/360890277.db2.gz AWHGKCVJODJANP-UHFFFAOYSA-N 2 1 262.361 0.644 20 30 CCEDMP C[NH+](C)CCC[N@@H+](C)CCNc1cncc(C#N)n1 ZINC000596423732 360890278 /nfs/dbraw/zinc/89/02/78/360890278.db2.gz AWHGKCVJODJANP-UHFFFAOYSA-N 2 1 262.361 0.644 20 30 CCEDMP C[C@H]1C[N@@H+](CCOCCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000339059099 389123248 /nfs/dbraw/zinc/12/32/48/389123248.db2.gz FRCAXUUIXOPQTJ-HOTGVXAUSA-N 2 1 294.443 0.874 20 30 CCEDMP CN(C)C(=[NH+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N(C)C ZINC000360573287 389199886 /nfs/dbraw/zinc/19/98/86/389199886.db2.gz PZBLMYFIZKGIHH-VXGBXAGGSA-N 2 1 254.378 0.329 20 30 CCEDMP CC(C)[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000330713930 389252876 /nfs/dbraw/zinc/25/28/76/389252876.db2.gz ZMIHESUUJGWEJB-ZDUSSCGKSA-N 2 1 285.436 0.076 20 30 CCEDMP CC(C)[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000330713930 389252879 /nfs/dbraw/zinc/25/28/79/389252879.db2.gz ZMIHESUUJGWEJB-ZDUSSCGKSA-N 2 1 285.436 0.076 20 30 CCEDMP CC(C)[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000330713930 389252882 /nfs/dbraw/zinc/25/28/82/389252882.db2.gz ZMIHESUUJGWEJB-ZDUSSCGKSA-N 2 1 285.436 0.076 20 30 CCEDMP C[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261980031 389279900 /nfs/dbraw/zinc/27/99/00/389279900.db2.gz OQUWSLYFWOEKGF-IINYFYTJSA-N 2 1 290.415 0.866 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccco1 ZINC000267472246 389371255 /nfs/dbraw/zinc/37/12/55/389371255.db2.gz YCXKVYZHTBDHFG-WFASDCNBSA-N 2 1 294.399 0.876 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351474809 389585075 /nfs/dbraw/zinc/58/50/75/389585075.db2.gz HAJHSEINRXJXPU-YFKTTZPYSA-N 2 1 280.372 0.056 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351474809 389585080 /nfs/dbraw/zinc/58/50/80/389585080.db2.gz HAJHSEINRXJXPU-YFKTTZPYSA-N 2 1 280.372 0.056 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338399 389985498 /nfs/dbraw/zinc/98/54/98/389985498.db2.gz KVGHWIIJBSGZBJ-MJBXVCDLSA-N 2 1 265.401 0.999 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338396 389985664 /nfs/dbraw/zinc/98/56/64/389985664.db2.gz KVGHWIIJBSGZBJ-IHRRRGAJSA-N 2 1 265.401 0.999 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895344 390711635 /nfs/dbraw/zinc/71/16/35/390711635.db2.gz DKKKXUHCIHMAIT-CHWSQXEVSA-N 2 1 281.400 0.364 20 30 CCEDMP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528381500 390739081 /nfs/dbraw/zinc/73/90/81/390739081.db2.gz INXVYZAIUSRPMX-OAHLLOKOSA-N 2 1 295.427 0.820 20 30 CCEDMP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528381500 390739084 /nfs/dbraw/zinc/73/90/84/390739084.db2.gz INXVYZAIUSRPMX-OAHLLOKOSA-N 2 1 295.427 0.820 20 30 CCEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153808 414694419 /nfs/dbraw/zinc/69/44/19/414694419.db2.gz CIRMVPPZRJWPDY-HUUCEWRRSA-N 2 1 268.401 0.845 20 30 CCEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153808 414694420 /nfs/dbraw/zinc/69/44/20/414694420.db2.gz CIRMVPPZRJWPDY-HUUCEWRRSA-N 2 1 268.401 0.845 20 30 CCEDMP C=CC[C@@]1(C(=O)N[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000662691404 414741837 /nfs/dbraw/zinc/74/18/37/414741837.db2.gz HYZZGZLGZAQNMW-OCCSQVGLSA-N 2 1 251.374 0.895 20 30 CCEDMP C=CC[C@@]1(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662702027 414743367 /nfs/dbraw/zinc/74/33/67/414743367.db2.gz VGVIZWCZMLSOKM-HOCLYGCPSA-N 2 1 295.427 0.769 20 30 CCEDMP CN(C)C(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000170908261 261448477 /nfs/dbraw/zinc/44/84/77/261448477.db2.gz MNNSASXRQUYFSE-UHFFFAOYSA-N 2 1 276.384 0.895 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000491525496 261654284 /nfs/dbraw/zinc/65/42/84/261654284.db2.gz SPFKDHRLXUAIIA-UHFFFAOYSA-N 2 1 265.401 0.980 20 30 CCEDMP CNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272883272 263009606 /nfs/dbraw/zinc/00/96/06/263009606.db2.gz HTYUDXLHKUVKBZ-CYBMUJFWSA-N 2 1 262.357 0.287 20 30 CCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368615500 267190974 /nfs/dbraw/zinc/19/09/74/267190974.db2.gz QIFQGWLYDVRNTB-XQQFMLRXSA-N 2 1 251.374 0.751 20 30 CCEDMP C[NH+]=C(NCc1nccn1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262782344 330031013 /nfs/dbraw/zinc/03/10/13/330031013.db2.gz LQVRBVWZOKKCTC-LLVKDONJSA-N 2 1 276.388 0.322 20 30 CCEDMP C[NH+]=C(NCc1nccn1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262782344 330031014 /nfs/dbraw/zinc/03/10/14/330031014.db2.gz LQVRBVWZOKKCTC-LLVKDONJSA-N 2 1 276.388 0.322 20 30 CCEDMP C#CCNC(NC[C@]1([NH+](C)C)CCSC1)=[NH+]CC ZINC000262809242 330032934 /nfs/dbraw/zinc/03/29/34/330032934.db2.gz TWKIZRQHKNSNDS-CYBMUJFWSA-N 2 1 268.430 0.612 20 30 CCEDMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCOCC1 ZINC000262882156 330036025 /nfs/dbraw/zinc/03/60/25/330036025.db2.gz WCFSIZRCIQRHPB-CYBMUJFWSA-N 2 1 266.389 0.650 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000527545384 330261180 /nfs/dbraw/zinc/26/11/80/330261180.db2.gz WAYODQSALYSSJZ-TZMCWYRMSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000527545384 330261181 /nfs/dbraw/zinc/26/11/81/330261181.db2.gz WAYODQSALYSSJZ-TZMCWYRMSA-N 2 1 281.400 0.472 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000424134818 330268058 /nfs/dbraw/zinc/26/80/58/330268058.db2.gz NXNUKAYJURQVDT-YNEHKIRRSA-N 2 1 264.373 0.751 20 30 CCEDMP Cc1cccc(NCCNC(=O)[C@H]([NH3+])CCCC#N)[nH+]1 ZINC000424137469 330274830 /nfs/dbraw/zinc/27/48/30/330274830.db2.gz BYHUWPQUXSBQCE-GFCCVEGCSA-N 2 1 275.356 0.939 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424143220 330286912 /nfs/dbraw/zinc/28/69/12/330286912.db2.gz FLWYWUOXOVDDLP-OLZOCXBDSA-N 2 1 266.389 0.998 20 30 CCEDMP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CC[N@H+](C2CC2)C1 ZINC000424153583 330299959 /nfs/dbraw/zinc/29/99/59/330299959.db2.gz KIZQNOWIOJWMTC-QWHCGFSZSA-N 2 1 264.373 0.703 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000424158040 330305270 /nfs/dbraw/zinc/30/52/70/330305270.db2.gz QFCJNNZMYMYOPA-STQMWFEESA-N 2 1 264.373 0.704 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000424158040 330305271 /nfs/dbraw/zinc/30/52/71/330305271.db2.gz QFCJNNZMYMYOPA-STQMWFEESA-N 2 1 264.373 0.704 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000490656781 332100505 /nfs/dbraw/zinc/10/05/05/332100505.db2.gz MNLOSJCLQZATSS-UHFFFAOYSA-N 2 1 295.452 0.497 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000491327640 332191472 /nfs/dbraw/zinc/19/14/72/332191472.db2.gz XDMONXQDNOCUFN-CYBMUJFWSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491327640 332191473 /nfs/dbraw/zinc/19/14/73/332191473.db2.gz XDMONXQDNOCUFN-CYBMUJFWSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491327640 332191474 /nfs/dbraw/zinc/19/14/74/332191474.db2.gz XDMONXQDNOCUFN-CYBMUJFWSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000491636918 332257736 /nfs/dbraw/zinc/25/77/36/332257736.db2.gz VHMQHGYMKCPXIQ-GFCCVEGCSA-N 2 1 252.362 0.187 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000491642476 332261604 /nfs/dbraw/zinc/26/16/04/332261604.db2.gz BDYQIPGBCGAKTN-UHFFFAOYSA-N 2 1 278.400 0.551 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000491644781 332263007 /nfs/dbraw/zinc/26/30/07/332263007.db2.gz LOELNFZDJVWLHY-KBPBESRZSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000491644781 332263009 /nfs/dbraw/zinc/26/30/09/332263009.db2.gz LOELNFZDJVWLHY-KBPBESRZSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000491644781 332263011 /nfs/dbraw/zinc/26/30/11/332263011.db2.gz LOELNFZDJVWLHY-KBPBESRZSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000491679868 332283683 /nfs/dbraw/zinc/28/36/83/332283683.db2.gz YCUHEVQOGUGYEG-UHFFFAOYSA-N 2 1 280.416 0.712 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@H+]1CCC ZINC000491699664 332294511 /nfs/dbraw/zinc/29/45/11/332294511.db2.gz CJSNKLHUUPEOGV-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+]1CCC ZINC000491699664 332294512 /nfs/dbraw/zinc/29/45/12/332294512.db2.gz CJSNKLHUUPEOGV-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000491744746 332322702 /nfs/dbraw/zinc/32/27/02/332322702.db2.gz SMPHUBFGWFSHBV-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000491744746 332322703 /nfs/dbraw/zinc/32/27/03/332322703.db2.gz SMPHUBFGWFSHBV-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000491744746 332322705 /nfs/dbraw/zinc/32/27/05/332322705.db2.gz SMPHUBFGWFSHBV-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000491744752 332322721 /nfs/dbraw/zinc/32/27/21/332322721.db2.gz SMPHUBFGWFSHBV-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000491744752 332322723 /nfs/dbraw/zinc/32/27/23/332322723.db2.gz SMPHUBFGWFSHBV-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000491744752 332322725 /nfs/dbraw/zinc/32/27/25/332322725.db2.gz SMPHUBFGWFSHBV-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000491744896 332322745 /nfs/dbraw/zinc/32/27/45/332322745.db2.gz ZVSMIJVAJLLHNQ-UHFFFAOYSA-N 2 1 288.395 0.900 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CC(F)(F)F ZINC000307944053 333021274 /nfs/dbraw/zinc/02/12/74/333021274.db2.gz UZHUXBAWBVULBM-SNVBAGLBSA-N 2 1 252.280 0.844 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CC(F)(F)F ZINC000307944053 333021276 /nfs/dbraw/zinc/02/12/76/333021276.db2.gz UZHUXBAWBVULBM-SNVBAGLBSA-N 2 1 252.280 0.844 20 30 CCEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081292751 334183863 /nfs/dbraw/zinc/18/38/63/334183863.db2.gz QAMFGSDSSDZERQ-CYBMUJFWSA-N 2 1 282.388 0.011 20 30 CCEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081292751 334183864 /nfs/dbraw/zinc/18/38/64/334183864.db2.gz QAMFGSDSSDZERQ-CYBMUJFWSA-N 2 1 282.388 0.011 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)CC1 ZINC000334893687 526429861 /nfs/dbraw/zinc/42/98/61/526429861.db2.gz VQKIISHHASQZIB-OAHLLOKOSA-N 2 1 298.406 0.980 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC000729977601 581626640 /nfs/dbraw/zinc/62/66/40/581626640.db2.gz XAVWUPPIWYJISU-UHFFFAOYSA-N 2 1 295.427 0.865 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC)C[C@H]2C)CC1 ZINC000755603377 581648226 /nfs/dbraw/zinc/64/82/26/581648226.db2.gz QQJKVKJOIOQHQO-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000748434579 581975687 /nfs/dbraw/zinc/97/56/87/581975687.db2.gz GWIOSIQQVYXECW-ZFWWWQNUSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000748434579 581975691 /nfs/dbraw/zinc/97/56/91/581975691.db2.gz GWIOSIQQVYXECW-ZFWWWQNUSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000886574350 613068706 /nfs/dbraw/zinc/06/87/06/613068706.db2.gz BLBMMCBRLRSZAZ-UKRRQHHQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000932382589 613102669 /nfs/dbraw/zinc/10/26/69/613102669.db2.gz ALBYIRNZTACMCT-UHFFFAOYSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000932382589 613102670 /nfs/dbraw/zinc/10/26/70/613102670.db2.gz ALBYIRNZTACMCT-UHFFFAOYSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC1([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)CCC1 ZINC000933296800 612970683 /nfs/dbraw/zinc/97/06/83/612970683.db2.gz ONYQKOHAKIDECE-CYBMUJFWSA-N 2 1 254.374 0.461 20 30 CCEDMP C#CCC1([NH2+]C[C@@H](O)C[N@H+](C)CCOC)CCC1 ZINC000933296800 612970685 /nfs/dbraw/zinc/97/06/85/612970685.db2.gz ONYQKOHAKIDECE-CYBMUJFWSA-N 2 1 254.374 0.461 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000965913005 612954357 /nfs/dbraw/zinc/95/43/57/612954357.db2.gz XYBXTVFVUDMQFH-UHFFFAOYSA-N 2 1 286.379 0.842 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977597500 613031702 /nfs/dbraw/zinc/03/17/02/613031702.db2.gz XVKKHLVKERJJJS-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977597500 613031703 /nfs/dbraw/zinc/03/17/03/613031703.db2.gz XVKKHLVKERJJJS-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000961465789 613042750 /nfs/dbraw/zinc/04/27/50/613042750.db2.gz QEZWIUOGMYFQGG-FICVDOATSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000959975010 613043595 /nfs/dbraw/zinc/04/35/95/613043595.db2.gz ROZTYIMGSWZDIU-ZSAUSMIDSA-N 2 1 275.396 0.396 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959975010 613043596 /nfs/dbraw/zinc/04/35/96/613043596.db2.gz ROZTYIMGSWZDIU-ZSAUSMIDSA-N 2 1 275.396 0.396 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959975010 613043598 /nfs/dbraw/zinc/04/35/98/613043598.db2.gz ROZTYIMGSWZDIU-ZSAUSMIDSA-N 2 1 275.396 0.396 20 30 CCEDMP C#CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000843270772 613045037 /nfs/dbraw/zinc/04/50/37/613045037.db2.gz ZKTJPJJRMRXURV-KGLIPLIRSA-N 2 1 291.395 0.411 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000836344993 613076231 /nfs/dbraw/zinc/07/62/31/613076231.db2.gz FLJKCRNDAISSKT-CYBMUJFWSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000836344993 613076232 /nfs/dbraw/zinc/07/62/32/613076232.db2.gz FLJKCRNDAISSKT-CYBMUJFWSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000836344993 613076234 /nfs/dbraw/zinc/07/62/34/613076234.db2.gz FLJKCRNDAISSKT-CYBMUJFWSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000982086011 613150924 /nfs/dbraw/zinc/15/09/24/613150924.db2.gz BIGYTUFQQFFICT-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000982086011 613150927 /nfs/dbraw/zinc/15/09/27/613150927.db2.gz BIGYTUFQQFFICT-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000981210650 613154431 /nfs/dbraw/zinc/15/44/31/613154431.db2.gz SWBZRXICMZFVLW-CABCVRRESA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000981210650 613154433 /nfs/dbraw/zinc/15/44/33/613154433.db2.gz SWBZRXICMZFVLW-CABCVRRESA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981210650 613154435 /nfs/dbraw/zinc/15/44/35/613154435.db2.gz SWBZRXICMZFVLW-CABCVRRESA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981210650 613154437 /nfs/dbraw/zinc/15/44/37/613154437.db2.gz SWBZRXICMZFVLW-CABCVRRESA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000981210653 613155812 /nfs/dbraw/zinc/15/58/12/613155812.db2.gz SWBZRXICMZFVLW-LSDHHAIUSA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000981210653 613155814 /nfs/dbraw/zinc/15/58/14/613155814.db2.gz SWBZRXICMZFVLW-LSDHHAIUSA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981210653 613155816 /nfs/dbraw/zinc/15/58/16/613155816.db2.gz SWBZRXICMZFVLW-LSDHHAIUSA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981210653 613155818 /nfs/dbraw/zinc/15/58/18/613155818.db2.gz SWBZRXICMZFVLW-LSDHHAIUSA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000923575336 613165926 /nfs/dbraw/zinc/16/59/26/613165926.db2.gz NHEPFFDTPMGJOB-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000923575336 613165927 /nfs/dbraw/zinc/16/59/27/613165927.db2.gz NHEPFFDTPMGJOB-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000884204362 613185825 /nfs/dbraw/zinc/18/58/25/613185825.db2.gz UHVXXINEHBJNNS-GJZGRUSLSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000884204362 613185826 /nfs/dbraw/zinc/18/58/26/613185826.db2.gz UHVXXINEHBJNNS-GJZGRUSLSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000884204362 613185827 /nfs/dbraw/zinc/18/58/27/613185827.db2.gz UHVXXINEHBJNNS-GJZGRUSLSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000884204362 613185831 /nfs/dbraw/zinc/18/58/31/613185831.db2.gz UHVXXINEHBJNNS-GJZGRUSLSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000814165461 613197668 /nfs/dbraw/zinc/19/76/68/613197668.db2.gz UFRQFLHQVMKOQA-HOCLYGCPSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000814165461 613197669 /nfs/dbraw/zinc/19/76/69/613197669.db2.gz UFRQFLHQVMKOQA-HOCLYGCPSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000814165461 613197670 /nfs/dbraw/zinc/19/76/70/613197670.db2.gz UFRQFLHQVMKOQA-HOCLYGCPSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000814165461 613197672 /nfs/dbraw/zinc/19/76/72/613197672.db2.gz UFRQFLHQVMKOQA-HOCLYGCPSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000862791234 613199841 /nfs/dbraw/zinc/19/98/41/613199841.db2.gz CWDWTUDESQAUBO-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000862791234 613199842 /nfs/dbraw/zinc/19/98/42/613199842.db2.gz CWDWTUDESQAUBO-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000862791234 613199843 /nfs/dbraw/zinc/19/98/43/613199843.db2.gz CWDWTUDESQAUBO-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000862791234 613199845 /nfs/dbraw/zinc/19/98/45/613199845.db2.gz CWDWTUDESQAUBO-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CNC(NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1)=[NH+]C ZINC000864358436 613218698 /nfs/dbraw/zinc/21/86/98/613218698.db2.gz ZXUIYVVBHPQTQP-OAHLLOKOSA-N 2 1 290.411 0.991 20 30 CCEDMP CNC(NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1)=[NH+]C ZINC000864358436 613218701 /nfs/dbraw/zinc/21/87/01/613218701.db2.gz ZXUIYVVBHPQTQP-OAHLLOKOSA-N 2 1 290.411 0.991 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598135 613224681 /nfs/dbraw/zinc/22/46/81/613224681.db2.gz RVIPKIWBGLGZNH-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCNC(=O)C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879122491 613328023 /nfs/dbraw/zinc/32/80/23/613328023.db2.gz MPLCAHOZBZSWSS-UHFFFAOYSA-N 2 1 281.400 0.026 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960530896 613345297 /nfs/dbraw/zinc/34/52/97/613345297.db2.gz XSBTVCLAZDCUDR-QMIVOQANSA-N 2 1 293.411 0.328 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960530896 613345298 /nfs/dbraw/zinc/34/52/98/613345298.db2.gz XSBTVCLAZDCUDR-QMIVOQANSA-N 2 1 293.411 0.328 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960530896 613345299 /nfs/dbraw/zinc/34/52/99/613345299.db2.gz XSBTVCLAZDCUDR-QMIVOQANSA-N 2 1 293.411 0.328 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960530896 613345300 /nfs/dbraw/zinc/34/53/00/613345300.db2.gz XSBTVCLAZDCUDR-QMIVOQANSA-N 2 1 293.411 0.328 20 30 CCEDMP C=C(C)[C@H](CO)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000929980856 613362422 /nfs/dbraw/zinc/36/24/22/613362422.db2.gz LCLBBDMNUOLWSE-CABCVRRESA-N 2 1 267.417 0.635 20 30 CCEDMP C=C(C)[C@H](CO)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000929980856 613362423 /nfs/dbraw/zinc/36/24/23/613362423.db2.gz LCLBBDMNUOLWSE-CABCVRRESA-N 2 1 267.417 0.635 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000900603248 613363981 /nfs/dbraw/zinc/36/39/81/613363981.db2.gz MTBSNVIVZJNIIH-ZDUSSCGKSA-N 2 1 269.389 0.019 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000900578108 613364864 /nfs/dbraw/zinc/36/48/64/613364864.db2.gz JBCKDXDRAWSCHY-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000901141433 613365150 /nfs/dbraw/zinc/36/51/50/613365150.db2.gz RHPAXGSWDKZLGB-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000901141433 613365151 /nfs/dbraw/zinc/36/51/51/613365151.db2.gz RHPAXGSWDKZLGB-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874830358 613366177 /nfs/dbraw/zinc/36/61/77/613366177.db2.gz QWIIYTOJYUSQJQ-CHWSQXEVSA-N 2 1 251.374 0.799 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000911842998 613366931 /nfs/dbraw/zinc/36/69/31/613366931.db2.gz KTRJOCOSZHKYCI-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000876772952 613387788 /nfs/dbraw/zinc/38/77/88/613387788.db2.gz JWEIXPQFOXAYMR-GXSJLCMTSA-N 2 1 259.781 0.914 20 30 CCEDMP C=CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000950510233 613506989 /nfs/dbraw/zinc/50/69/89/613506989.db2.gz OFMAIUSRUDOVKL-UONOGXRCSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595022 613546735 /nfs/dbraw/zinc/54/67/35/613546735.db2.gz OGFCOGNIOPHWQJ-UONOGXRCSA-N 2 1 293.411 0.067 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944169379 613577556 /nfs/dbraw/zinc/57/75/56/613577556.db2.gz OQVSRZJLEWLVGE-HUUCEWRRSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960262527 613636873 /nfs/dbraw/zinc/63/68/73/613636873.db2.gz DARAHFFCWICAPC-KNCOVGOOSA-N 2 1 298.390 0.830 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960262527 613636875 /nfs/dbraw/zinc/63/68/75/613636875.db2.gz DARAHFFCWICAPC-KNCOVGOOSA-N 2 1 298.390 0.830 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269168 613704589 /nfs/dbraw/zinc/70/45/89/613704589.db2.gz KKDNFCGOTNCZRZ-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269168 613704590 /nfs/dbraw/zinc/70/45/90/613704590.db2.gz KKDNFCGOTNCZRZ-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000948269168 613704591 /nfs/dbraw/zinc/70/45/91/613704591.db2.gz KKDNFCGOTNCZRZ-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269168 613704593 /nfs/dbraw/zinc/70/45/93/613704593.db2.gz KKDNFCGOTNCZRZ-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940649629 613746284 /nfs/dbraw/zinc/74/62/84/613746284.db2.gz PRAJMABHUUFLDW-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940649629 613746287 /nfs/dbraw/zinc/74/62/87/613746287.db2.gz PRAJMABHUUFLDW-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940649629 613746288 /nfs/dbraw/zinc/74/62/88/613746288.db2.gz PRAJMABHUUFLDW-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940649629 613746291 /nfs/dbraw/zinc/74/62/91/613746291.db2.gz PRAJMABHUUFLDW-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704484 613845836 /nfs/dbraw/zinc/84/58/36/613845836.db2.gz VDMBKTXGSJJWMP-CQSZACIVSA-N 2 1 253.390 0.986 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704484 613845837 /nfs/dbraw/zinc/84/58/37/613845837.db2.gz VDMBKTXGSJJWMP-CQSZACIVSA-N 2 1 253.390 0.986 20 30 CCEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925635071 613885949 /nfs/dbraw/zinc/88/59/49/613885949.db2.gz OBLBZJJITRBDPT-WDEREUQCSA-N 2 1 258.387 0.447 20 30 CCEDMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)c1ccccc1 ZINC000834493604 614904428 /nfs/dbraw/zinc/90/44/28/614904428.db2.gz FTFHBGIYHAJBKC-ZNMIVQPWSA-N 2 1 286.379 0.907 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N1CCCCC1 ZINC000104169028 615131125 /nfs/dbraw/zinc/13/11/25/615131125.db2.gz OYWHIPQXAABXAC-CYBMUJFWSA-N 2 1 295.431 0.388 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000913522508 615860084 /nfs/dbraw/zinc/86/00/84/615860084.db2.gz MQSDYFUOPNZQTQ-HNNXBMFYSA-N 2 1 283.391 0.880 20 30 CCEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)CC#N ZINC000930060005 615980916 /nfs/dbraw/zinc/98/09/16/615980916.db2.gz IVMKAFUDBQDVMP-AAVRWANBSA-N 2 1 267.373 0.444 20 30 CCEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)CC#N ZINC000930060005 615980918 /nfs/dbraw/zinc/98/09/18/615980918.db2.gz IVMKAFUDBQDVMP-AAVRWANBSA-N 2 1 267.373 0.444 20 30 CCEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)CC#N ZINC000930060010 615981213 /nfs/dbraw/zinc/98/12/13/615981213.db2.gz IVMKAFUDBQDVMP-SYQHCUMBSA-N 2 1 267.373 0.444 20 30 CCEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)CC#N ZINC000930060010 615981215 /nfs/dbraw/zinc/98/12/15/615981215.db2.gz IVMKAFUDBQDVMP-SYQHCUMBSA-N 2 1 267.373 0.444 20 30 CCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864702 616345763 /nfs/dbraw/zinc/34/57/63/616345763.db2.gz FEZWLQNQQJJURK-OAHLLOKOSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026139701 625340931 /nfs/dbraw/zinc/34/09/31/625340931.db2.gz LBBQZUOJOVUTGP-ZVDSWSACSA-N 2 1 289.423 0.786 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001026148941 625343372 /nfs/dbraw/zinc/34/33/72/625343372.db2.gz GRFFTFYHVVPXQC-LFPSSSAGSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]12 ZINC001026283289 625387600 /nfs/dbraw/zinc/38/76/00/625387600.db2.gz FXDLFDDMEFADKJ-FVQBIDKESA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001026592907 625477160 /nfs/dbraw/zinc/47/71/60/625477160.db2.gz STXOZUCINPZXNR-WLYUNCDWSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001022716400 622693394 /nfs/dbraw/zinc/69/33/94/622693394.db2.gz WTSUMMCSJGBUGQ-UPJWGTAASA-N 2 1 251.374 0.751 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023744200 623125750 /nfs/dbraw/zinc/12/57/50/623125750.db2.gz KNWHZJYJPWLECB-KBPBESRZSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023744200 623125756 /nfs/dbraw/zinc/12/57/56/623125756.db2.gz KNWHZJYJPWLECB-KBPBESRZSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023744200 623125762 /nfs/dbraw/zinc/12/57/62/623125762.db2.gz KNWHZJYJPWLECB-KBPBESRZSA-N 2 1 265.401 0.952 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cncn1C ZINC000290736188 623184387 /nfs/dbraw/zinc/18/43/87/623184387.db2.gz WPGIIPYAUZXLPE-LLVKDONJSA-N 2 1 264.377 0.309 20 30 CCEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001024797486 623445561 /nfs/dbraw/zinc/44/55/61/623445561.db2.gz OLBHKUWSARPBHE-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001024797486 623445564 /nfs/dbraw/zinc/44/55/64/623445564.db2.gz OLBHKUWSARPBHE-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001024797486 623445568 /nfs/dbraw/zinc/44/55/68/623445568.db2.gz OLBHKUWSARPBHE-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001022076913 624871020 /nfs/dbraw/zinc/87/10/20/624871020.db2.gz FDTBHMGSMHAJCE-BYNSBNAKSA-N 2 1 275.396 0.731 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001022166553 624890200 /nfs/dbraw/zinc/89/02/00/624890200.db2.gz ZCVLVXTYTGBANQ-HZSPNIEDSA-N 2 1 263.385 0.731 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001022220415 624894443 /nfs/dbraw/zinc/89/44/43/624894443.db2.gz BULWLCVOOCDOEU-XQQFMLRXSA-N 2 1 267.348 0.290 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001022220415 624894449 /nfs/dbraw/zinc/89/44/49/624894449.db2.gz BULWLCVOOCDOEU-XQQFMLRXSA-N 2 1 267.348 0.290 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001022278196 624907982 /nfs/dbraw/zinc/90/79/82/624907982.db2.gz HLIXXNIZMDQJIW-BARDWOONSA-N 2 1 275.396 0.873 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027332203 625834937 /nfs/dbraw/zinc/83/49/37/625834937.db2.gz MYBHKWIRVAFBQL-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027332203 625834942 /nfs/dbraw/zinc/83/49/42/625834942.db2.gz MYBHKWIRVAFBQL-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027332203 625834945 /nfs/dbraw/zinc/83/49/45/625834945.db2.gz MYBHKWIRVAFBQL-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615788 630804497 /nfs/dbraw/zinc/80/44/97/630804497.db2.gz ZWGHYXIYUQLYNR-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615788 630804499 /nfs/dbraw/zinc/80/44/99/630804499.db2.gz ZWGHYXIYUQLYNR-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001027792216 630921180 /nfs/dbraw/zinc/92/11/80/630921180.db2.gz LWHBISOSKNCGAH-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792216 630921181 /nfs/dbraw/zinc/92/11/81/630921181.db2.gz LWHBISOSKNCGAH-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792216 630921184 /nfs/dbraw/zinc/92/11/84/630921184.db2.gz LWHBISOSKNCGAH-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP Cc1[nH+]ccn1CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261684140 631439752 /nfs/dbraw/zinc/43/97/52/631439752.db2.gz AGGDQECQENLBCE-LLVKDONJSA-N 2 1 251.334 0.275 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000985653296 632610765 /nfs/dbraw/zinc/61/07/65/632610765.db2.gz KZICBUNMVWEXPR-HIFRSBDPSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000985653296 632610773 /nfs/dbraw/zinc/61/07/73/632610773.db2.gz KZICBUNMVWEXPR-HIFRSBDPSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000985653296 632610782 /nfs/dbraw/zinc/61/07/82/632610782.db2.gz KZICBUNMVWEXPR-HIFRSBDPSA-N 2 1 277.412 0.740 20 30 CCEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000985796120 632643908 /nfs/dbraw/zinc/64/39/08/632643908.db2.gz HHHQHJCGFYQZSM-HNNXBMFYSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000985796120 632643912 /nfs/dbraw/zinc/64/39/12/632643912.db2.gz HHHQHJCGFYQZSM-HNNXBMFYSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000985796120 632643917 /nfs/dbraw/zinc/64/39/17/632643917.db2.gz HHHQHJCGFYQZSM-HNNXBMFYSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000985796120 632643921 /nfs/dbraw/zinc/64/39/21/632643921.db2.gz HHHQHJCGFYQZSM-HNNXBMFYSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989562127 633329481 /nfs/dbraw/zinc/32/94/81/633329481.db2.gz NBBNLIAXZGLDBK-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009512139 650146172 /nfs/dbraw/zinc/14/61/72/650146172.db2.gz ASCIZBSIHIULQT-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009512139 650146173 /nfs/dbraw/zinc/14/61/73/650146173.db2.gz ASCIZBSIHIULQT-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009512139 650146174 /nfs/dbraw/zinc/14/61/74/650146174.db2.gz ASCIZBSIHIULQT-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010429855 650226089 /nfs/dbraw/zinc/22/60/89/650226089.db2.gz WXBGWVQKGJHWKI-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010429855 650226092 /nfs/dbraw/zinc/22/60/92/650226092.db2.gz WXBGWVQKGJHWKI-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010429855 650226095 /nfs/dbraw/zinc/22/60/95/650226095.db2.gz WXBGWVQKGJHWKI-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010429855 650226097 /nfs/dbraw/zinc/22/60/97/650226097.db2.gz WXBGWVQKGJHWKI-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(C)n1 ZINC000170909395 637105532 /nfs/dbraw/zinc/10/55/32/637105532.db2.gz LEVKPMYNGHPTFO-ZDUSSCGKSA-N 2 1 276.388 0.674 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC000992415483 637398666 /nfs/dbraw/zinc/39/86/66/637398666.db2.gz ARNLHWBCFOVULM-GDBMZVCRSA-N 2 1 286.379 0.709 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994248443 637892746 /nfs/dbraw/zinc/89/27/46/637892746.db2.gz FFOFRMJJLNRKAK-ZIAGYGMSSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994248443 637892751 /nfs/dbraw/zinc/89/27/51/637892751.db2.gz FFOFRMJJLNRKAK-ZIAGYGMSSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CCN1CCC[C@@H](NC(=O)Cc2[nH]cnc2C)[C@@H]1C ZINC000994299312 637918761 /nfs/dbraw/zinc/91/87/61/637918761.db2.gz VRJVZSRXAVXPFV-QWHCGFSZSA-N 2 1 274.368 0.863 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996604131 638823997 /nfs/dbraw/zinc/82/39/97/638823997.db2.gz UIJYCJRMYAAZMN-TZMCWYRMSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000996620444 638824786 /nfs/dbraw/zinc/82/47/86/638824786.db2.gz NROBYNGTOIUICZ-GJZGRUSLSA-N 2 1 293.411 0.616 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000996617552 638824834 /nfs/dbraw/zinc/82/48/34/638824834.db2.gz BQTKWSFQLDUULG-LSDHHAIUSA-N 2 1 291.395 0.063 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC000996648368 638826550 /nfs/dbraw/zinc/82/65/50/638826550.db2.gz RMVXUKUIVKRDFG-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC000996648368 638826551 /nfs/dbraw/zinc/82/65/51/638826551.db2.gz RMVXUKUIVKRDFG-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998798006 638942609 /nfs/dbraw/zinc/94/26/09/638942609.db2.gz XGYKDCPJRLMJCP-BLYZHGLHSA-N 2 1 263.385 0.539 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCF)CC1 ZINC001001493059 639307471 /nfs/dbraw/zinc/30/74/71/639307471.db2.gz VEEGKEMVZGCIJK-HNNXBMFYSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCF)CC1 ZINC001001493059 639307476 /nfs/dbraw/zinc/30/74/76/639307476.db2.gz VEEGKEMVZGCIJK-HNNXBMFYSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006296543 640219259 /nfs/dbraw/zinc/21/92/59/640219259.db2.gz ZIUDXPRTOYPROI-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015598577 650587780 /nfs/dbraw/zinc/58/77/80/650587780.db2.gz ASGWFFZEMCWMCK-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015598577 650587781 /nfs/dbraw/zinc/58/77/81/650587781.db2.gz ASGWFFZEMCWMCK-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015598577 650587782 /nfs/dbraw/zinc/58/77/82/650587782.db2.gz ASGWFFZEMCWMCK-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015598577 650587784 /nfs/dbraw/zinc/58/77/84/650587784.db2.gz ASGWFFZEMCWMCK-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015614713 650592422 /nfs/dbraw/zinc/59/24/22/650592422.db2.gz DNLYGBHDXUBSLY-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015614713 650592425 /nfs/dbraw/zinc/59/24/25/650592425.db2.gz DNLYGBHDXUBSLY-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001015614713 650592427 /nfs/dbraw/zinc/59/24/27/650592427.db2.gz DNLYGBHDXUBSLY-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016001527 650672221 /nfs/dbraw/zinc/67/22/21/650672221.db2.gz KWOVJDPPAFFFRN-CYBMUJFWSA-N 2 1 263.385 0.849 20 30 CCEDMP N#Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000843062726 642985371 /nfs/dbraw/zinc/98/53/71/642985371.db2.gz ROWWSMBQGBWYQD-HZPDHXFCSA-N 2 1 289.379 0.638 20 30 CCEDMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000848460670 643643325 /nfs/dbraw/zinc/64/33/25/643643325.db2.gz MPZMOUFOOYNLKH-STQMWFEESA-N 2 1 266.389 0.998 20 30 CCEDMP C[C@@H]1C[C@@H](N(C)C(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1C ZINC000852870433 644034143 /nfs/dbraw/zinc/03/41/43/644034143.db2.gz OGLGDLJMKZZDLJ-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001019380745 650968026 /nfs/dbraw/zinc/96/80/26/650968026.db2.gz LHGDASQYEKTBFS-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP N#Cc1ccc(NCC[NH2+]C[C@H](O)C[NH+]2CCCC2)nc1 ZINC000863550303 645106887 /nfs/dbraw/zinc/10/68/87/645106887.db2.gz TZPCQJPPCICHTM-AWEZNQCLSA-N 2 1 289.383 0.411 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001019571241 650989480 /nfs/dbraw/zinc/98/94/80/650989480.db2.gz SNAAVTDRCWAKEC-AWEZNQCLSA-N 2 1 295.346 0.705 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001019800436 651006163 /nfs/dbraw/zinc/00/61/63/651006163.db2.gz KAMITXARRFMERU-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001019800436 651006171 /nfs/dbraw/zinc/00/61/71/651006171.db2.gz KAMITXARRFMERU-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000303717763 649823915 /nfs/dbraw/zinc/82/39/15/649823915.db2.gz UMBHXROCOSGCCA-CQSZACIVSA-N 2 1 297.447 0.097 20 30 CCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303717763 649823917 /nfs/dbraw/zinc/82/39/17/649823917.db2.gz UMBHXROCOSGCCA-CQSZACIVSA-N 3 1 297.447 0.097 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303717763 649823919 /nfs/dbraw/zinc/82/39/19/649823919.db2.gz UMBHXROCOSGCCA-CQSZACIVSA-N 3 1 297.447 0.097 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[NH+](C2CC2)C1 ZINC000303872526 649825941 /nfs/dbraw/zinc/82/59/41/649825941.db2.gz CAQMJZTXVLOYBU-UKRRQHHQSA-N 3 1 293.459 0.859 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000303872526 649825943 /nfs/dbraw/zinc/82/59/43/649825943.db2.gz CAQMJZTXVLOYBU-UKRRQHHQSA-N 3 1 293.459 0.859 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000303872526 649825944 /nfs/dbraw/zinc/82/59/44/649825944.db2.gz CAQMJZTXVLOYBU-UKRRQHHQSA-N 3 1 293.459 0.859 20 30 CCEDMP C=CCSCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303977968 649827644 /nfs/dbraw/zinc/82/76/44/649827644.db2.gz LUNLJSQWORRPEO-UHFFFAOYSA-N 2 1 286.445 0.532 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266322661 790504245 /nfs/dbraw/zinc/50/42/45/790504245.db2.gz LGHKGCXCZHDLNA-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266322661 790504253 /nfs/dbraw/zinc/50/42/53/790504253.db2.gz LGHKGCXCZHDLNA-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266346832 790557246 /nfs/dbraw/zinc/55/72/46/790557246.db2.gz CVQQJYVZPDJCDT-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP CC#CC[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266346832 790557250 /nfs/dbraw/zinc/55/72/50/790557250.db2.gz CVQQJYVZPDJCDT-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP CC#CC[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266346832 790557255 /nfs/dbraw/zinc/55/72/55/790557255.db2.gz CVQQJYVZPDJCDT-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP COCC#CC[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001266362474 790590783 /nfs/dbraw/zinc/59/07/83/790590783.db2.gz JOLWXBWDAWXOOD-UHFFFAOYSA-N 2 1 295.427 0.560 20 30 CCEDMP C#CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266398843 790636207 /nfs/dbraw/zinc/63/62/07/790636207.db2.gz FFHRWIIOKMCHCL-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266398843 790636210 /nfs/dbraw/zinc/63/62/10/790636210.db2.gz FFHRWIIOKMCHCL-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266398843 790636213 /nfs/dbraw/zinc/63/62/13/790636213.db2.gz FFHRWIIOKMCHCL-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC#CC)CCC ZINC001266562570 790935056 /nfs/dbraw/zinc/93/50/56/790935056.db2.gz HBJCWIIOMAXTAW-INIZCTEOSA-N 2 1 289.423 0.936 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC#CC)CCC ZINC001266562570 790935062 /nfs/dbraw/zinc/93/50/62/790935062.db2.gz HBJCWIIOMAXTAW-INIZCTEOSA-N 2 1 289.423 0.936 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC#CC)CCC ZINC001266562570 790935065 /nfs/dbraw/zinc/93/50/65/790935065.db2.gz HBJCWIIOMAXTAW-INIZCTEOSA-N 2 1 289.423 0.936 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC#CC)CCC ZINC001266562570 790935074 /nfs/dbraw/zinc/93/50/74/790935074.db2.gz HBJCWIIOMAXTAW-INIZCTEOSA-N 2 1 289.423 0.936 20 30 CCEDMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001266659249 791091711 /nfs/dbraw/zinc/09/17/11/791091711.db2.gz BQWNIIDTEJPUBA-LLVKDONJSA-N 2 1 259.781 0.881 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571763 814924350 /nfs/dbraw/zinc/92/43/50/814924350.db2.gz MPGZMRZBVUHTBU-BMFZPTHFSA-N 2 1 289.423 0.931 20 30 CCEDMP C=CCOC[C@H](O)CNC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245985122 807106500 /nfs/dbraw/zinc/10/65/00/807106500.db2.gz KWIHUIGRUJXIOL-ZIAGYGMSSA-N 2 1 283.416 0.014 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC=C ZINC001267132704 791579208 /nfs/dbraw/zinc/57/92/08/791579208.db2.gz RKUKSJXTHIYGDT-KBPBESRZSA-N 2 1 263.385 0.754 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC=C ZINC001267132704 791579214 /nfs/dbraw/zinc/57/92/14/791579214.db2.gz RKUKSJXTHIYGDT-KBPBESRZSA-N 2 1 263.385 0.754 20 30 CCEDMP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267195751 791655815 /nfs/dbraw/zinc/65/58/15/791655815.db2.gz MIEZABZZROMYIQ-AWEZNQCLSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149894651 800306276 /nfs/dbraw/zinc/30/62/76/800306276.db2.gz BJUZJJFBIAWSBC-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149894651 800306280 /nfs/dbraw/zinc/30/62/80/800306280.db2.gz BJUZJJFBIAWSBC-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890465 801254773 /nfs/dbraw/zinc/25/47/73/801254773.db2.gz LWZGGDXYPXNHRY-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890465 801254777 /nfs/dbraw/zinc/25/47/77/801254777.db2.gz LWZGGDXYPXNHRY-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890465 801254782 /nfs/dbraw/zinc/25/47/82/801254782.db2.gz LWZGGDXYPXNHRY-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157887125 801510246 /nfs/dbraw/zinc/51/02/46/801510246.db2.gz RACSGGLNXUEQFC-HNNXBMFYSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160273218 801925713 /nfs/dbraw/zinc/92/57/13/801925713.db2.gz JLJTUCGIYRSLTH-CQSZACIVSA-N 2 1 265.401 0.980 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160274497 801926486 /nfs/dbraw/zinc/92/64/86/801926486.db2.gz UMRJYOUCQZJPLX-CQSZACIVSA-N 2 1 265.401 0.980 20 30 CCEDMP N#Cc1c[nH]c2nc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)ncc12 ZINC001160513521 801956336 /nfs/dbraw/zinc/95/63/36/801956336.db2.gz OTIAKFLDYQMVAW-OAHLLOKOSA-N 2 1 297.366 0.665 20 30 CCEDMP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(C)ncc1C#N ZINC001163126333 802487464 /nfs/dbraw/zinc/48/74/64/802487464.db2.gz QWRWDMMCUQSAGE-UHFFFAOYSA-N 2 1 275.360 0.357 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165711981 802862676 /nfs/dbraw/zinc/86/26/76/802862676.db2.gz ZLYUCTBPOUQLIJ-ZIAGYGMSSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165711981 802862681 /nfs/dbraw/zinc/86/26/81/802862681.db2.gz ZLYUCTBPOUQLIJ-ZIAGYGMSSA-N 2 1 293.411 0.215 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166677712 802936871 /nfs/dbraw/zinc/93/68/71/802936871.db2.gz LSEIYMCMGIGTCN-ZDUSSCGKSA-N 2 1 251.374 0.447 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537076 812828863 /nfs/dbraw/zinc/82/88/63/812828863.db2.gz GTYZYEWKZCSWJU-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537076 812828873 /nfs/dbraw/zinc/82/88/73/812828873.db2.gz GTYZYEWKZCSWJU-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537076 812828883 /nfs/dbraw/zinc/82/88/83/812828883.db2.gz GTYZYEWKZCSWJU-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204875793 803107888 /nfs/dbraw/zinc/10/78/88/803107888.db2.gz DUMKXRKJXOPFAX-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204875793 803107892 /nfs/dbraw/zinc/10/78/92/803107892.db2.gz DUMKXRKJXOPFAX-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001206927624 803308021 /nfs/dbraw/zinc/30/80/21/803308021.db2.gz HWNVXAWKZDIGOE-AWEZNQCLSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001208352703 803508628 /nfs/dbraw/zinc/50/86/28/803508628.db2.gz LPSAYYRLEGVIAR-HOTGVXAUSA-N 2 1 287.407 0.688 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001208352703 803508630 /nfs/dbraw/zinc/50/86/30/803508630.db2.gz LPSAYYRLEGVIAR-HOTGVXAUSA-N 2 1 287.407 0.688 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001209640872 803619515 /nfs/dbraw/zinc/61/95/15/803619515.db2.gz DTPKZCGFZRFMCC-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213457896 803695477 /nfs/dbraw/zinc/69/54/77/803695477.db2.gz GKQBAFFAWCUCLJ-HZSPNIEDSA-N 2 1 281.400 0.165 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213457896 803695480 /nfs/dbraw/zinc/69/54/80/803695480.db2.gz GKQBAFFAWCUCLJ-HZSPNIEDSA-N 2 1 281.400 0.165 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213756658 803702762 /nfs/dbraw/zinc/70/27/62/803702762.db2.gz ZZJGZCSJPAREKW-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213756658 803702764 /nfs/dbraw/zinc/70/27/64/803702764.db2.gz ZZJGZCSJPAREKW-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213756658 803702766 /nfs/dbraw/zinc/70/27/66/803702766.db2.gz ZZJGZCSJPAREKW-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213756658 803702768 /nfs/dbraw/zinc/70/27/68/803702768.db2.gz ZZJGZCSJPAREKW-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001276705567 803704890 /nfs/dbraw/zinc/70/48/90/803704890.db2.gz ZBAHGTXOQIGHQJ-CHWSQXEVSA-N 2 1 251.374 0.609 20 30 CCEDMP C[N@@H+](C[C@H](O)COc1ccccc1C#N)C1CC([NH3+])C1 ZINC000402198833 803817078 /nfs/dbraw/zinc/81/70/78/803817078.db2.gz GJYUHIQTWXLVAW-RUXDESIVSA-N 2 1 275.352 0.719 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752383 803853176 /nfs/dbraw/zinc/85/31/76/803853176.db2.gz MCTXFDKPOBBIFB-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219118205 804208930 /nfs/dbraw/zinc/20/89/30/804208930.db2.gz KOJZCRCEQUUXBT-HNNXBMFYSA-N 2 1 272.352 0.385 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219536657 804339868 /nfs/dbraw/zinc/33/98/68/804339868.db2.gz DMUAETSRENRNKI-BCQZVRRWSA-N 2 1 271.320 0.424 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219825715 804430485 /nfs/dbraw/zinc/43/04/85/804430485.db2.gz IEAGYJIOMXJRRJ-MJBXVCDLSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219825715 804430488 /nfs/dbraw/zinc/43/04/88/804430488.db2.gz IEAGYJIOMXJRRJ-MJBXVCDLSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219825715 804430492 /nfs/dbraw/zinc/43/04/92/804430492.db2.gz IEAGYJIOMXJRRJ-MJBXVCDLSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219825715 804430498 /nfs/dbraw/zinc/43/04/98/804430498.db2.gz IEAGYJIOMXJRRJ-MJBXVCDLSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269256 804557145 /nfs/dbraw/zinc/55/71/45/804557145.db2.gz UPYAMTMTGKSRBI-CABCVRRESA-N 2 1 295.427 0.456 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001220332797 804577087 /nfs/dbraw/zinc/57/70/87/804577087.db2.gz PRUDBLGHHOQELZ-JSGCOSHPSA-N 2 1 251.374 0.574 20 30 CCEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220828867 804677526 /nfs/dbraw/zinc/67/75/26/804677526.db2.gz GGEWAPXENLMVPS-ZNMIVQPWSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220828867 804677529 /nfs/dbraw/zinc/67/75/29/804677529.db2.gz GGEWAPXENLMVPS-ZNMIVQPWSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220828867 804677534 /nfs/dbraw/zinc/67/75/34/804677534.db2.gz GGEWAPXENLMVPS-ZNMIVQPWSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081465 804727981 /nfs/dbraw/zinc/72/79/81/804727981.db2.gz NGRDJLTZGORCNM-CABCVRRESA-N 2 1 295.427 0.600 20 30 CCEDMP C#CC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001272178305 815038282 /nfs/dbraw/zinc/03/82/82/815038282.db2.gz GRMQTPJEFGISQJ-KBPBESRZSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001272178305 815038287 /nfs/dbraw/zinc/03/82/87/815038287.db2.gz GRMQTPJEFGISQJ-KBPBESRZSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771872 804843478 /nfs/dbraw/zinc/84/34/78/804843478.db2.gz INWCFTGNNZVFHO-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771872 804843485 /nfs/dbraw/zinc/84/34/85/804843485.db2.gz INWCFTGNNZVFHO-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCOC[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001251854588 807721841 /nfs/dbraw/zinc/72/18/41/807721841.db2.gz HNXMDZDCEPAWCU-ZIAGYGMSSA-N 2 1 252.358 0.025 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001251854588 807721848 /nfs/dbraw/zinc/72/18/48/807721848.db2.gz HNXMDZDCEPAWCU-ZIAGYGMSSA-N 2 1 252.358 0.025 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001251854588 807721853 /nfs/dbraw/zinc/72/18/53/807721853.db2.gz HNXMDZDCEPAWCU-ZIAGYGMSSA-N 2 1 252.358 0.025 20 30 CCEDMP C#CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001251906591 807743941 /nfs/dbraw/zinc/74/39/41/807743941.db2.gz HUDMWTMUGMGZIP-RRFJBIMHSA-N 2 1 268.401 0.706 20 30 CCEDMP C=CCOC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001252483298 807888560 /nfs/dbraw/zinc/88/85/60/807888560.db2.gz SEIJKBAZKUVVOK-ZIAGYGMSSA-N 2 1 256.390 0.871 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)CC[N@H+](C)CCC)CCOCC1 ZINC001278728570 808077016 /nfs/dbraw/zinc/07/70/16/808077016.db2.gz QRTGHELOPACTIW-UHFFFAOYSA-N 2 1 295.427 0.607 20 30 CCEDMP C[N@H+]1CCCN(CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254642479 808269089 /nfs/dbraw/zinc/26/90/89/808269089.db2.gz HXWWPSNKZKAGKJ-KBPBESRZSA-N 2 1 250.390 0.906 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001278816344 808282621 /nfs/dbraw/zinc/28/26/21/808282621.db2.gz QFQZCBBIECZKKT-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001278816344 808282626 /nfs/dbraw/zinc/28/26/26/808282626.db2.gz QFQZCBBIECZKKT-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001278816344 808282631 /nfs/dbraw/zinc/28/26/31/808282631.db2.gz QFQZCBBIECZKKT-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001278865493 808357959 /nfs/dbraw/zinc/35/79/59/808357959.db2.gz ZMNPNZIHGVVMSU-CABCVRRESA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001278865493 808357967 /nfs/dbraw/zinc/35/79/67/808357967.db2.gz ZMNPNZIHGVVMSU-CABCVRRESA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001278865493 808357977 /nfs/dbraw/zinc/35/79/77/808357977.db2.gz ZMNPNZIHGVVMSU-CABCVRRESA-N 2 1 297.443 0.798 20 30 CCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001264078366 809628788 /nfs/dbraw/zinc/62/87/88/809628788.db2.gz IWAZZOVILKDXQB-OAHLLOKOSA-N 2 1 295.427 0.247 20 30 CCEDMP COCC#CC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265032426 809697363 /nfs/dbraw/zinc/69/73/63/809697363.db2.gz VJNUCAKFSJPKMN-OAHLLOKOSA-N 2 1 297.443 0.661 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001265318960 809756671 /nfs/dbraw/zinc/75/66/71/809756671.db2.gz GGEZMYSDKNVUGR-CQSZACIVSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001265318960 809756674 /nfs/dbraw/zinc/75/66/74/809756674.db2.gz GGEZMYSDKNVUGR-CQSZACIVSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001265318960 809756678 /nfs/dbraw/zinc/75/66/78/809756678.db2.gz GGEZMYSDKNVUGR-CQSZACIVSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265318960 809756680 /nfs/dbraw/zinc/75/66/80/809756680.db2.gz GGEZMYSDKNVUGR-CQSZACIVSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001265370322 809766771 /nfs/dbraw/zinc/76/67/71/809766771.db2.gz OUHQNAFYIZTKPU-TZMCWYRMSA-N 2 1 263.385 0.446 20 30 CCEDMP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001265812882 809860492 /nfs/dbraw/zinc/86/04/92/809860492.db2.gz GHFQQKKRTULSJA-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001265936293 809898498 /nfs/dbraw/zinc/89/84/98/809898498.db2.gz LUBQFUGNPJCEAR-AWEZNQCLSA-N 2 1 281.400 0.475 20 30 CCEDMP CC#CC[N@H+](CC)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266029909 809921569 /nfs/dbraw/zinc/92/15/69/809921569.db2.gz BFORMVLNQATEQA-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[N@@H+](CC)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266029909 809921573 /nfs/dbraw/zinc/92/15/73/809921573.db2.gz BFORMVLNQATEQA-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[NH+](CC)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266029909 809921577 /nfs/dbraw/zinc/92/15/77/809921577.db2.gz BFORMVLNQATEQA-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[NH+](CC)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266029909 809921580 /nfs/dbraw/zinc/92/15/80/809921580.db2.gz BFORMVLNQATEQA-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001279307415 809975243 /nfs/dbraw/zinc/97/52/43/809975243.db2.gz HMFZTSFKKSECJH-UHFFFAOYSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038269788 811119340 /nfs/dbraw/zinc/11/93/40/811119340.db2.gz QJIKLJHFAMAZNO-LSDHHAIUSA-N 2 1 275.396 0.542 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001077236370 815468134 /nfs/dbraw/zinc/46/81/34/815468134.db2.gz JURQPFPFLCEYQE-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077236370 815468138 /nfs/dbraw/zinc/46/81/38/815468138.db2.gz JURQPFPFLCEYQE-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001077236370 815468143 /nfs/dbraw/zinc/46/81/43/815468143.db2.gz JURQPFPFLCEYQE-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077236370 815468148 /nfs/dbraw/zinc/46/81/48/815468148.db2.gz JURQPFPFLCEYQE-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077236370 815468150 /nfs/dbraw/zinc/46/81/50/815468150.db2.gz JURQPFPFLCEYQE-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001268323798 812486614 /nfs/dbraw/zinc/48/66/14/812486614.db2.gz KEVYWYHUEJOVRM-ZDUSSCGKSA-N 2 1 294.399 0.649 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028263317 812528869 /nfs/dbraw/zinc/52/88/69/812528869.db2.gz OMGPFEDZLVAABA-CYBMUJFWSA-N 2 1 263.385 0.849 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028312037 812610626 /nfs/dbraw/zinc/61/06/26/812610626.db2.gz AQLLWOYAZGZAHP-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028312037 812610630 /nfs/dbraw/zinc/61/06/30/812610630.db2.gz AQLLWOYAZGZAHP-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028312037 812610634 /nfs/dbraw/zinc/61/06/34/812610634.db2.gz AQLLWOYAZGZAHP-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001268500981 812713299 /nfs/dbraw/zinc/71/32/99/812713299.db2.gz TVKSMYVEBSOLRU-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268500981 812713301 /nfs/dbraw/zinc/71/33/01/812713301.db2.gz TVKSMYVEBSOLRU-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028545368 812831993 /nfs/dbraw/zinc/83/19/93/812831993.db2.gz PBEYPECOTFFGJN-UKRRQHHQSA-N 2 1 275.396 0.400 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001028600919 812956230 /nfs/dbraw/zinc/95/62/30/812956230.db2.gz FSUULZAVBZRAQX-HOTGVXAUSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001028600919 812956232 /nfs/dbraw/zinc/95/62/32/812956232.db2.gz FSUULZAVBZRAQX-HOTGVXAUSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001028600919 812956235 /nfs/dbraw/zinc/95/62/35/812956235.db2.gz FSUULZAVBZRAQX-HOTGVXAUSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001028600919 812956237 /nfs/dbraw/zinc/95/62/37/812956237.db2.gz FSUULZAVBZRAQX-HOTGVXAUSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001268674795 812995224 /nfs/dbraw/zinc/99/52/24/812995224.db2.gz ZQRJFEAFMDGGRR-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268674647 812996035 /nfs/dbraw/zinc/99/60/35/812996035.db2.gz RAYOQVQJJAMPGG-CHWSQXEVSA-N 2 1 269.389 0.235 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028630010 813005667 /nfs/dbraw/zinc/00/56/67/813005667.db2.gz WNSOKWKNDNNNDQ-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028630010 813005675 /nfs/dbraw/zinc/00/56/75/813005675.db2.gz WNSOKWKNDNNNDQ-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028630010 813005684 /nfs/dbraw/zinc/00/56/84/813005684.db2.gz WNSOKWKNDNNNDQ-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028630010 813005694 /nfs/dbraw/zinc/00/56/94/813005694.db2.gz WNSOKWKNDNNNDQ-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001269619062 813449337 /nfs/dbraw/zinc/44/93/37/813449337.db2.gz JKYVVELIBXXLPW-XPKDYRNWSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028778719 813490432 /nfs/dbraw/zinc/49/04/32/813490432.db2.gz JTPGDBUAUQVVJS-AWEZNQCLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127065521 815620943 /nfs/dbraw/zinc/62/09/43/815620943.db2.gz AICUSKFAIVSUSR-ZDUSSCGKSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCC)C2)CC1 ZINC001031435225 817053928 /nfs/dbraw/zinc/05/39/28/817053928.db2.gz UNNSORUHDVETEU-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031584318 817164907 /nfs/dbraw/zinc/16/49/07/817164907.db2.gz BPXRBTWYVOWRHM-ZDUSSCGKSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031667090 817229798 /nfs/dbraw/zinc/22/97/98/817229798.db2.gz XMFYYSUBNCYTCG-OAHLLOKOSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681577 817240215 /nfs/dbraw/zinc/24/02/15/817240215.db2.gz ZAELMHAWNNAADY-TZMCWYRMSA-N 2 1 263.385 0.398 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681577 817240220 /nfs/dbraw/zinc/24/02/20/817240220.db2.gz ZAELMHAWNNAADY-TZMCWYRMSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031767132 817350809 /nfs/dbraw/zinc/35/08/09/817350809.db2.gz RWSJXLSFKNSADG-HUUCEWRRSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031767132 817350820 /nfs/dbraw/zinc/35/08/20/817350820.db2.gz RWSJXLSFKNSADG-HUUCEWRRSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032044466 817576566 /nfs/dbraw/zinc/57/65/66/817576566.db2.gz RXIFQNOWSRSXCX-CABCVRRESA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032044466 817576572 /nfs/dbraw/zinc/57/65/72/817576572.db2.gz RXIFQNOWSRSXCX-CABCVRRESA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001273017940 818430975 /nfs/dbraw/zinc/43/09/75/818430975.db2.gz FGRNXPZAHASHFW-QWHCGFSZSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033091141 818507682 /nfs/dbraw/zinc/50/76/82/818507682.db2.gz HNOYBBMDDUYJEH-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033091141 818507687 /nfs/dbraw/zinc/50/76/87/818507687.db2.gz HNOYBBMDDUYJEH-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033091141 818507691 /nfs/dbraw/zinc/50/76/91/818507691.db2.gz HNOYBBMDDUYJEH-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033831711 818962157 /nfs/dbraw/zinc/96/21/57/818962157.db2.gz XJLHPEJLWKDIOQ-CVEARBPZSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034485166 819220552 /nfs/dbraw/zinc/22/05/52/819220552.db2.gz COCVFQYMHSIUTC-CQSZACIVSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079707903 820455939 /nfs/dbraw/zinc/45/59/39/820455939.db2.gz YJVFRPDOCOAABP-VNQPRFMTSA-N 2 1 289.423 0.788 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001080138352 820517659 /nfs/dbraw/zinc/51/76/59/820517659.db2.gz GETQNOHXMCZRER-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001080138352 820517667 /nfs/dbraw/zinc/51/76/67/820517667.db2.gz GETQNOHXMCZRER-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001080977190 820660804 /nfs/dbraw/zinc/66/08/04/820660804.db2.gz ZZDWNTZOOWCJPG-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001080977190 820660809 /nfs/dbraw/zinc/66/08/09/820660809.db2.gz ZZDWNTZOOWCJPG-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080977190 820660815 /nfs/dbraw/zinc/66/08/15/820660815.db2.gz ZZDWNTZOOWCJPG-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080977190 820660818 /nfs/dbraw/zinc/66/08/18/820660818.db2.gz ZZDWNTZOOWCJPG-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082919878 821060945 /nfs/dbraw/zinc/06/09/45/821060945.db2.gz IRVKWDGMWBRAMY-HZSPNIEDSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053809 821189383 /nfs/dbraw/zinc/18/93/83/821189383.db2.gz LUCPXCIYGUMVNH-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053809 821189388 /nfs/dbraw/zinc/18/93/88/821189388.db2.gz LUCPXCIYGUMVNH-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053809 821189392 /nfs/dbraw/zinc/18/93/92/821189392.db2.gz LUCPXCIYGUMVNH-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084231419 821246646 /nfs/dbraw/zinc/24/66/46/821246646.db2.gz ABWKWUIPDMRNRJ-RBSFLKMASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084231419 821246651 /nfs/dbraw/zinc/24/66/51/821246651.db2.gz ABWKWUIPDMRNRJ-RBSFLKMASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084231419 821246657 /nfs/dbraw/zinc/24/66/57/821246657.db2.gz ABWKWUIPDMRNRJ-RBSFLKMASA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355382 821278882 /nfs/dbraw/zinc/27/88/82/821278882.db2.gz VIRFHXLUOAJGEV-KLHDSHLOSA-N 2 1 289.423 0.883 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355382 821278888 /nfs/dbraw/zinc/27/88/88/821278888.db2.gz VIRFHXLUOAJGEV-KLHDSHLOSA-N 2 1 289.423 0.883 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355382 821278894 /nfs/dbraw/zinc/27/88/94/821278894.db2.gz VIRFHXLUOAJGEV-KLHDSHLOSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001085149573 821517185 /nfs/dbraw/zinc/51/71/85/821517185.db2.gz XPDYUBIBXGODKB-MGPQQGTHSA-N 2 1 263.385 0.731 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085428520 821683128 /nfs/dbraw/zinc/68/31/28/821683128.db2.gz GAJQVQSXJZASPI-RBSFLKMASA-N 2 1 295.427 0.910 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085428520 821683132 /nfs/dbraw/zinc/68/31/32/821683132.db2.gz GAJQVQSXJZASPI-RBSFLKMASA-N 2 1 295.427 0.910 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085518327 821763838 /nfs/dbraw/zinc/76/38/38/821763838.db2.gz OZQOUNPWUYFCOF-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001085518327 821763840 /nfs/dbraw/zinc/76/38/40/821763840.db2.gz OZQOUNPWUYFCOF-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001085518327 821763844 /nfs/dbraw/zinc/76/38/44/821763844.db2.gz OZQOUNPWUYFCOF-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531149 821773067 /nfs/dbraw/zinc/77/30/67/821773067.db2.gz NAJDNTQCQUWIES-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531149 821773070 /nfs/dbraw/zinc/77/30/70/821773070.db2.gz NAJDNTQCQUWIES-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531149 821773074 /nfs/dbraw/zinc/77/30/74/821773074.db2.gz NAJDNTQCQUWIES-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531149 821773081 /nfs/dbraw/zinc/77/30/81/821773081.db2.gz NAJDNTQCQUWIES-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927680 822019377 /nfs/dbraw/zinc/01/93/77/822019377.db2.gz DOUUBBKRDKUBLP-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086106934 822115281 /nfs/dbraw/zinc/11/52/81/822115281.db2.gz DLYXHVTXGWSBDL-HZSPNIEDSA-N 2 1 286.379 0.878 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086370870 822229613 /nfs/dbraw/zinc/22/96/13/822229613.db2.gz CRRYQMXBRGKJGV-AAVRWANBSA-N 2 1 265.401 0.997 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccns1 ZINC001129771305 837559469 /nfs/dbraw/zinc/55/94/69/837559469.db2.gz VDKQIRCFNURAAG-ZDUSSCGKSA-N 2 1 292.408 0.447 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccns1 ZINC001129771305 837559476 /nfs/dbraw/zinc/55/94/76/837559476.db2.gz VDKQIRCFNURAAG-ZDUSSCGKSA-N 2 1 292.408 0.447 20 30 CCEDMP CC#CCN1CCO[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001108420915 836046448 /nfs/dbraw/zinc/04/64/48/836046448.db2.gz CGBUWXHHZLCHSS-INIZCTEOSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363474 836524766 /nfs/dbraw/zinc/52/47/66/836524766.db2.gz GRGWTDBYPBIWJS-CQSZACIVSA-N 2 1 281.400 0.522 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864861 836740042 /nfs/dbraw/zinc/74/00/42/836740042.db2.gz YHBANFPONKYELX-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864861 836740035 /nfs/dbraw/zinc/74/00/35/836740035.db2.gz YHBANFPONKYELX-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001132738064 838480943 /nfs/dbraw/zinc/48/09/43/838480943.db2.gz VATXHLQZWPYGAQ-ZDUSSCGKSA-N 2 1 251.374 0.447 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132977340 838528678 /nfs/dbraw/zinc/52/86/78/838528678.db2.gz LCIYWPORVUMSLH-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001133870609 838750602 /nfs/dbraw/zinc/75/06/02/838750602.db2.gz UXNQXLBFLFJXMB-DOTOQJQBSA-N 2 1 299.418 0.942 20 30 CCEDMP C#CC[NH2+]CCNC(=O)C[N@H+](C)CCCCCC ZINC001135437452 839249518 /nfs/dbraw/zinc/24/95/18/839249518.db2.gz UISVAYHRBXBQSF-UHFFFAOYSA-N 2 1 253.390 0.838 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090811632 839829781 /nfs/dbraw/zinc/82/97/81/839829781.db2.gz CRUBYAKWIRSYLJ-GJZGRUSLSA-N 2 1 295.427 0.600 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2)[C@H](O)C1 ZINC001090845833 839851205 /nfs/dbraw/zinc/85/12/05/839851205.db2.gz AQLGVAGRYJWRTO-UONOGXRCSA-N 2 1 292.383 0.401 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC001144218906 839978724 /nfs/dbraw/zinc/97/87/24/839978724.db2.gz CJJDEJYANYORPV-UHFFFAOYSA-N 2 1 296.459 0.494 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001091025950 839993408 /nfs/dbraw/zinc/99/34/08/839993408.db2.gz AXMVIOLUIJOUJW-YMAMQOFZSA-N 2 1 277.412 0.977 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565097 840315328 /nfs/dbraw/zinc/31/53/28/840315328.db2.gz DUDCMDPBEWNFNJ-YCPHGPKFSA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565097 840315340 /nfs/dbraw/zinc/31/53/40/840315340.db2.gz DUDCMDPBEWNFNJ-YCPHGPKFSA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565097 840315351 /nfs/dbraw/zinc/31/53/51/840315351.db2.gz DUDCMDPBEWNFNJ-YCPHGPKFSA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565097 840315362 /nfs/dbraw/zinc/31/53/62/840315362.db2.gz DUDCMDPBEWNFNJ-YCPHGPKFSA-N 2 1 293.411 0.283 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148161598 840752734 /nfs/dbraw/zinc/75/27/34/840752734.db2.gz WVLTXROZHDBMLR-UHFFFAOYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133980 841153526 /nfs/dbraw/zinc/15/35/26/841153526.db2.gz SBANIYFHRBRLMH-HUUCEWRRSA-N 2 1 289.423 0.790 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3ccnc3)CC[C@@H]21 ZINC001036786307 841217338 /nfs/dbraw/zinc/21/73/38/841217338.db2.gz SQTIWKXMHGGCIW-CABCVRRESA-N 2 1 286.379 0.829 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036869941 841431631 /nfs/dbraw/zinc/43/16/31/841431631.db2.gz MQULHGCGZZUKCW-HUUCEWRRSA-N 2 1 287.407 0.638 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149850077 841515336 /nfs/dbraw/zinc/51/53/36/841515336.db2.gz YLXKFCRBNHKVPM-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149850077 841515345 /nfs/dbraw/zinc/51/53/45/841515345.db2.gz YLXKFCRBNHKVPM-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149850077 841515350 /nfs/dbraw/zinc/51/53/50/841515350.db2.gz YLXKFCRBNHKVPM-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896370 841662936 /nfs/dbraw/zinc/66/29/36/841662936.db2.gz NWIILBRLXPXMIG-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896370 841662940 /nfs/dbraw/zinc/66/29/40/841662940.db2.gz NWIILBRLXPXMIG-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC#CCOC ZINC001171763236 841761707 /nfs/dbraw/zinc/76/17/07/841761707.db2.gz WEDVTNTVNUWSIY-UHFFFAOYSA-N 2 1 269.389 0.074 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001094964082 841979718 /nfs/dbraw/zinc/97/97/18/841979718.db2.gz KUZHYDOPTANTGO-KKUMJFAQSA-N 2 1 286.379 0.794 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1C)C2 ZINC001095242684 842123151 /nfs/dbraw/zinc/12/31/51/842123151.db2.gz YQESYDHIVISLHQ-CBBWQLFWSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001095242684 842123154 /nfs/dbraw/zinc/12/31/54/842123154.db2.gz YQESYDHIVISLHQ-CBBWQLFWSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001095242684 842123158 /nfs/dbraw/zinc/12/31/58/842123158.db2.gz YQESYDHIVISLHQ-CBBWQLFWSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001095242684 842123162 /nfs/dbraw/zinc/12/31/62/842123162.db2.gz YQESYDHIVISLHQ-CBBWQLFWSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001095242684 842123164 /nfs/dbraw/zinc/12/31/64/842123164.db2.gz YQESYDHIVISLHQ-CBBWQLFWSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176986741 842478171 /nfs/dbraw/zinc/47/81/71/842478171.db2.gz UYEHWLLIYIKIQX-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181672691 843573611 /nfs/dbraw/zinc/57/36/11/843573611.db2.gz AVTRQNSESQOZIN-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182684321 843895878 /nfs/dbraw/zinc/89/58/78/843895878.db2.gz OEYCSVNSRUMWBD-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001188361142 844883853 /nfs/dbraw/zinc/88/38/53/844883853.db2.gz DZJKLPBTRWMBGW-MRXNPFEDSA-N 2 1 285.391 0.942 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001188361142 844883861 /nfs/dbraw/zinc/88/38/61/844883861.db2.gz DZJKLPBTRWMBGW-MRXNPFEDSA-N 2 1 285.391 0.942 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189035477 845027761 /nfs/dbraw/zinc/02/77/61/845027761.db2.gz ZKUVVDLIDONUCD-QWHCGFSZSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517258 845154169 /nfs/dbraw/zinc/15/41/69/845154169.db2.gz PBABBRGMNAOXJR-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517258 845154175 /nfs/dbraw/zinc/15/41/75/845154175.db2.gz PBABBRGMNAOXJR-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189517258 845154183 /nfs/dbraw/zinc/15/41/83/845154183.db2.gz PBABBRGMNAOXJR-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189517258 845154189 /nfs/dbraw/zinc/15/41/89/845154189.db2.gz PBABBRGMNAOXJR-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190351078 845392325 /nfs/dbraw/zinc/39/23/25/845392325.db2.gz PYIKEGPDDZQJQR-UONOGXRCSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351078 845392334 /nfs/dbraw/zinc/39/23/34/845392334.db2.gz PYIKEGPDDZQJQR-UONOGXRCSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351078 845392343 /nfs/dbraw/zinc/39/23/43/845392343.db2.gz PYIKEGPDDZQJQR-UONOGXRCSA-N 2 1 263.385 0.493 20 30 CCEDMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC#CCOC)C1 ZINC001192969693 845957123 /nfs/dbraw/zinc/95/71/23/845957123.db2.gz MWOWGRDMUNFMFY-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193461121 846081006 /nfs/dbraw/zinc/08/10/06/846081006.db2.gz FIHCDDRBSFJGQV-ZDUSSCGKSA-N 2 1 269.389 0.283 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193782388 846152359 /nfs/dbraw/zinc/15/23/59/846152359.db2.gz YGRWSLLYWBSVKH-KFWWJZLASA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193782220 846152444 /nfs/dbraw/zinc/15/24/44/846152444.db2.gz UWMFGHYYVHUOTN-MCIONIFRSA-N 2 1 281.400 0.064 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193782220 846152445 /nfs/dbraw/zinc/15/24/45/846152445.db2.gz UWMFGHYYVHUOTN-MCIONIFRSA-N 2 1 281.400 0.064 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194244721 846248285 /nfs/dbraw/zinc/24/82/85/846248285.db2.gz XMPXIICBKKAVTP-CHWSQXEVSA-N 2 1 283.416 0.454 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194294773 846268252 /nfs/dbraw/zinc/26/82/52/846268252.db2.gz MXVLQTHCHWSNIS-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194294773 846268263 /nfs/dbraw/zinc/26/82/63/846268263.db2.gz MXVLQTHCHWSNIS-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194294773 846268276 /nfs/dbraw/zinc/26/82/76/846268276.db2.gz MXVLQTHCHWSNIS-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001195267147 846487842 /nfs/dbraw/zinc/48/78/42/846487842.db2.gz FFNGGPCRQCMIHC-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001195267147 846487848 /nfs/dbraw/zinc/48/78/48/846487848.db2.gz FFNGGPCRQCMIHC-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196268573 846716319 /nfs/dbraw/zinc/71/63/19/846716319.db2.gz WDPGQIKUGAUNEC-HZSPNIEDSA-N 2 1 283.416 0.454 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001197907732 847006583 /nfs/dbraw/zinc/00/65/83/847006583.db2.gz KTVMWXVJGUCQSJ-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001197907732 847006587 /nfs/dbraw/zinc/00/65/87/847006587.db2.gz KTVMWXVJGUCQSJ-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001197907732 847006590 /nfs/dbraw/zinc/00/65/90/847006590.db2.gz KTVMWXVJGUCQSJ-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001197907732 847006591 /nfs/dbraw/zinc/00/65/91/847006591.db2.gz KTVMWXVJGUCQSJ-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023845 847203368 /nfs/dbraw/zinc/20/33/68/847203368.db2.gz QBMCBGDVMLHCCH-ZIAGYGMSSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023845 847203373 /nfs/dbraw/zinc/20/33/73/847203373.db2.gz QBMCBGDVMLHCCH-ZIAGYGMSSA-N 2 1 281.400 0.210 20 30 CCEDMP C#CCN1CC[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273827341 847613084 /nfs/dbraw/zinc/61/30/84/847613084.db2.gz QISQBDBTUWBYQA-INIZCTEOSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CCN1CC[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273827341 847613089 /nfs/dbraw/zinc/61/30/89/847613089.db2.gz QISQBDBTUWBYQA-INIZCTEOSA-N 2 1 275.396 0.638 20 30 CCEDMP C=C[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273882498 847728507 /nfs/dbraw/zinc/72/85/07/847728507.db2.gz ZPAZQUCLHDFHPM-ZBFHGGJFSA-N 2 1 295.427 0.552 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114361440 848026159 /nfs/dbraw/zinc/02/61/59/848026159.db2.gz NPBGKGAFGIXBBI-BARDWOONSA-N 2 1 295.402 0.736 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114409081 848050338 /nfs/dbraw/zinc/05/03/38/848050338.db2.gz GDRKYCUIZZGCIX-CBBWQLFWSA-N 2 1 275.396 0.396 20 30 CCEDMP C#CC[NH2+]C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001275369290 848701312 /nfs/dbraw/zinc/70/13/12/848701312.db2.gz WQRGYNUCRVPPIB-LBPRGKRZSA-N 2 1 262.357 0.699 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3cncc3C1)C2 ZINC001095639529 849003307 /nfs/dbraw/zinc/00/33/07/849003307.db2.gz HMOXRYKIGGYECI-VDERGJSUSA-N 2 1 298.390 0.800 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3cncc3C1)C2 ZINC001095639529 849003309 /nfs/dbraw/zinc/00/33/09/849003309.db2.gz HMOXRYKIGGYECI-VDERGJSUSA-N 2 1 298.390 0.800 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001114496675 849225682 /nfs/dbraw/zinc/22/56/82/849225682.db2.gz QTLAVQNRYYPQNU-QLPKVWCKSA-N 2 1 298.390 0.588 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114841423 849424313 /nfs/dbraw/zinc/42/43/13/849424313.db2.gz VVTYWCAOXNOCPK-NHAGDIPZSA-N 2 1 277.412 0.644 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CC(C)(C)C ZINC001114841423 849424311 /nfs/dbraw/zinc/42/43/11/849424311.db2.gz VVTYWCAOXNOCPK-NHAGDIPZSA-N 2 1 277.412 0.644 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114841423 849424316 /nfs/dbraw/zinc/42/43/16/849424316.db2.gz VVTYWCAOXNOCPK-NHAGDIPZSA-N 2 1 277.412 0.644 20 30 CCEDMP C=C[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001253581429 849551660 /nfs/dbraw/zinc/55/16/60/849551660.db2.gz CFYYKHAXNJJPIU-CQSZACIVSA-N 2 1 281.400 0.195 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCCF)CC1 ZINC001039041447 850137828 /nfs/dbraw/zinc/13/78/28/850137828.db2.gz CTHFNEBNJRWOKJ-OAHLLOKOSA-N 2 1 295.402 0.882 20 30 CCEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041170001 850390449 /nfs/dbraw/zinc/39/04/49/850390449.db2.gz MMXBDTQSOVSYQR-GDBMZVCRSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041170001 850390462 /nfs/dbraw/zinc/39/04/62/850390462.db2.gz MMXBDTQSOVSYQR-GDBMZVCRSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041170001 850390469 /nfs/dbraw/zinc/39/04/69/850390469.db2.gz MMXBDTQSOVSYQR-GDBMZVCRSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041170001 850390482 /nfs/dbraw/zinc/39/04/82/850390482.db2.gz MMXBDTQSOVSYQR-GDBMZVCRSA-N 2 1 293.411 0.427 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041356914 850436749 /nfs/dbraw/zinc/43/67/49/850436749.db2.gz DEAQIUITHBJZMF-WBVHZDCISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785597 850502465 /nfs/dbraw/zinc/50/24/65/850502465.db2.gz JBDYNEWUFWKMIB-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785597 850502467 /nfs/dbraw/zinc/50/24/67/850502467.db2.gz JBDYNEWUFWKMIB-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785597 850502468 /nfs/dbraw/zinc/50/24/68/850502468.db2.gz JBDYNEWUFWKMIB-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041832569 850510460 /nfs/dbraw/zinc/51/04/60/850510460.db2.gz BTKWIECMHAGNIC-INIZCTEOSA-N 2 1 275.396 0.640 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042356908 850620372 /nfs/dbraw/zinc/62/03/72/850620372.db2.gz UYHZEWYFNAQVIE-CABCVRRESA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042356908 850620376 /nfs/dbraw/zinc/62/03/76/850620376.db2.gz UYHZEWYFNAQVIE-CABCVRRESA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001044684868 851143098 /nfs/dbraw/zinc/14/30/98/851143098.db2.gz LSJJRBYPLATZSM-JSGCOSHPSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001044782748 851157438 /nfs/dbraw/zinc/15/74/38/851157438.db2.gz ZXKBDBCFPVKTTQ-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001045557178 851279404 /nfs/dbraw/zinc/27/94/04/851279404.db2.gz XGMMPSLQZSYZOS-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046926618 851646335 /nfs/dbraw/zinc/64/63/35/851646335.db2.gz UPEBJMVCFRGSJH-CHWSQXEVSA-N 2 1 299.365 0.787 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046926618 851646340 /nfs/dbraw/zinc/64/63/40/851646340.db2.gz UPEBJMVCFRGSJH-CHWSQXEVSA-N 2 1 299.365 0.787 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046926618 851646345 /nfs/dbraw/zinc/64/63/45/851646345.db2.gz UPEBJMVCFRGSJH-CHWSQXEVSA-N 2 1 299.365 0.787 20 30 CCEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046926618 851646354 /nfs/dbraw/zinc/64/63/54/851646354.db2.gz UPEBJMVCFRGSJH-CHWSQXEVSA-N 2 1 299.365 0.787 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001096344322 851945113 /nfs/dbraw/zinc/94/51/13/851945113.db2.gz KBAUPXZBCQKICM-KBXIAJHMSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001096344322 851945124 /nfs/dbraw/zinc/94/51/24/851945124.db2.gz KBAUPXZBCQKICM-KBXIAJHMSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001096344322 851945135 /nfs/dbraw/zinc/94/51/35/851945135.db2.gz KBAUPXZBCQKICM-KBXIAJHMSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048871143 852088735 /nfs/dbraw/zinc/08/87/35/852088735.db2.gz JNEQXANXOAQFNT-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871143 852088745 /nfs/dbraw/zinc/08/87/45/852088745.db2.gz JNEQXANXOAQFNT-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871143 852088753 /nfs/dbraw/zinc/08/87/53/852088753.db2.gz JNEQXANXOAQFNT-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001048888613 852100559 /nfs/dbraw/zinc/10/05/59/852100559.db2.gz SBEZNZLTQHEPCJ-QLFBSQMISA-N 2 1 277.412 0.740 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049057178 852150543 /nfs/dbraw/zinc/15/05/43/852150543.db2.gz BBNNLCXARGGOTM-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049057178 852150547 /nfs/dbraw/zinc/15/05/47/852150547.db2.gz BBNNLCXARGGOTM-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049057178 852150552 /nfs/dbraw/zinc/15/05/52/852150552.db2.gz BBNNLCXARGGOTM-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049173410 852182931 /nfs/dbraw/zinc/18/29/31/852182931.db2.gz WSMPIEZSOZBGMI-OKILXGFUSA-N 2 1 273.380 0.106 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072552565 854414568 /nfs/dbraw/zinc/41/45/68/854414568.db2.gz QRXNAYKSYSZBQV-ZDUSSCGKSA-N 2 1 263.385 0.801 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072552565 854414564 /nfs/dbraw/zinc/41/45/64/854414564.db2.gz QRXNAYKSYSZBQV-ZDUSSCGKSA-N 2 1 263.385 0.801 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072552565 854414570 /nfs/dbraw/zinc/41/45/70/854414570.db2.gz QRXNAYKSYSZBQV-ZDUSSCGKSA-N 2 1 263.385 0.801 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001072858842 854482232 /nfs/dbraw/zinc/48/22/32/854482232.db2.gz KOVHABJIWKNYJR-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001072858842 854482240 /nfs/dbraw/zinc/48/22/40/854482240.db2.gz KOVHABJIWKNYJR-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001072858842 854482247 /nfs/dbraw/zinc/48/22/47/854482247.db2.gz KOVHABJIWKNYJR-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073611240 854614186 /nfs/dbraw/zinc/61/41/86/854614186.db2.gz RMUOOEZVKNTMES-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073611240 854614190 /nfs/dbraw/zinc/61/41/90/854614190.db2.gz RMUOOEZVKNTMES-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611240 854614196 /nfs/dbraw/zinc/61/41/96/854614196.db2.gz RMUOOEZVKNTMES-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611240 854614204 /nfs/dbraw/zinc/61/42/04/854614204.db2.gz RMUOOEZVKNTMES-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971475 855056851 /nfs/dbraw/zinc/05/68/51/855056851.db2.gz IRPHSRDUVHNLSA-CHWSQXEVSA-N 2 1 281.400 0.066 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100411658 855163640 /nfs/dbraw/zinc/16/36/40/855163640.db2.gz LEQHFIBHBRGHNI-UHFFFAOYSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100980939 855251586 /nfs/dbraw/zinc/25/15/86/855251586.db2.gz NJRXRNBFGAKOCC-MOKVOYLWSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600948 855448997 /nfs/dbraw/zinc/44/89/97/855448997.db2.gz DNCWKIKTUCZARJ-ZIAGYGMSSA-N 2 1 265.401 0.644 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600948 855449001 /nfs/dbraw/zinc/44/90/01/855449001.db2.gz DNCWKIKTUCZARJ-ZIAGYGMSSA-N 2 1 265.401 0.644 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600948 855449005 /nfs/dbraw/zinc/44/90/05/855449005.db2.gz DNCWKIKTUCZARJ-ZIAGYGMSSA-N 2 1 265.401 0.644 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864583 855602057 /nfs/dbraw/zinc/60/20/57/855602057.db2.gz XKSGKWUJMLYYMZ-HOCLYGCPSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001323325497 912266987 /nfs/dbraw/zinc/26/69/87/912266987.db2.gz UVLWTCBTNWPBCU-ZDUSSCGKSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001323325497 912267003 /nfs/dbraw/zinc/26/70/03/912267003.db2.gz UVLWTCBTNWPBCU-ZDUSSCGKSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001282875735 891514245 /nfs/dbraw/zinc/51/42/45/891514245.db2.gz KYYMKHOSODIHGJ-QKDCVEJESA-N 2 1 289.423 0.788 20 30 CCEDMP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001481813001 893179232 /nfs/dbraw/zinc/17/92/32/893179232.db2.gz BSTWUYZFHNWXIF-JHJVBQTASA-N 2 1 253.390 0.997 20 30 CCEDMP C=CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482282766 893764702 /nfs/dbraw/zinc/76/47/02/893764702.db2.gz FLSHPAJMXWHYCU-RRFJBIMHSA-N 2 1 297.443 0.966 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001482298493 893801334 /nfs/dbraw/zinc/80/13/34/893801334.db2.gz TUTGVSTURLIITD-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001482298493 893801359 /nfs/dbraw/zinc/80/13/59/893801359.db2.gz TUTGVSTURLIITD-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483319066 895442787 /nfs/dbraw/zinc/44/27/87/895442787.db2.gz HBUYRRCGRCWOSV-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483319066 895442792 /nfs/dbraw/zinc/44/27/92/895442792.db2.gz HBUYRRCGRCWOSV-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483319066 895442797 /nfs/dbraw/zinc/44/27/97/895442797.db2.gz HBUYRRCGRCWOSV-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001483382781 895524963 /nfs/dbraw/zinc/52/49/63/895524963.db2.gz DBHUMLFBSADDAZ-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483382781 895524972 /nfs/dbraw/zinc/52/49/72/895524972.db2.gz DBHUMLFBSADDAZ-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483382781 895524986 /nfs/dbraw/zinc/52/49/86/895524986.db2.gz DBHUMLFBSADDAZ-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001484155493 896211363 /nfs/dbraw/zinc/21/13/63/896211363.db2.gz VMZRBHWJSHXPOJ-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001484155493 896211380 /nfs/dbraw/zinc/21/13/80/896211380.db2.gz VMZRBHWJSHXPOJ-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001484155493 896211395 /nfs/dbraw/zinc/21/13/95/896211395.db2.gz VMZRBHWJSHXPOJ-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001484155493 896211409 /nfs/dbraw/zinc/21/14/09/896211409.db2.gz VMZRBHWJSHXPOJ-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001484236850 896272467 /nfs/dbraw/zinc/27/24/67/896272467.db2.gz SHSMHLYGGPJGED-HOCLYGCPSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001484445684 896416245 /nfs/dbraw/zinc/41/62/45/896416245.db2.gz ITOXPWHQMJLIJC-INIZCTEOSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001484445684 896416251 /nfs/dbraw/zinc/41/62/51/896416251.db2.gz ITOXPWHQMJLIJC-INIZCTEOSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001484445684 896416257 /nfs/dbraw/zinc/41/62/57/896416257.db2.gz ITOXPWHQMJLIJC-INIZCTEOSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001484765529 896593269 /nfs/dbraw/zinc/59/32/69/896593269.db2.gz IOBHHFNPDRMHRY-ZDUSSCGKSA-N 2 1 253.390 0.740 20 30 CCEDMP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485464374 897057242 /nfs/dbraw/zinc/05/72/42/897057242.db2.gz VDVKNPGRBTUCNO-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485464374 897057257 /nfs/dbraw/zinc/05/72/57/897057257.db2.gz VDVKNPGRBTUCNO-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001485533357 897112945 /nfs/dbraw/zinc/11/29/45/897112945.db2.gz PXYUOACJPRWASJ-ZDUSSCGKSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733600 898032199 /nfs/dbraw/zinc/03/21/99/898032199.db2.gz CEYJQBLABMZOSD-KBPBESRZSA-N 2 1 273.380 0.391 20 30 CCEDMP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485877764 898484750 /nfs/dbraw/zinc/48/47/50/898484750.db2.gz OHYLHZXWEZZYFS-MGPQQGTHSA-N 2 1 265.401 0.786 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001486304148 898767414 /nfs/dbraw/zinc/76/74/14/898767414.db2.gz ZJBRJBMWTUTJOX-ZDUSSCGKSA-N 2 1 294.399 0.601 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001486309044 898771653 /nfs/dbraw/zinc/77/16/53/898771653.db2.gz DIVQGMIXEZQQPF-ZDUSSCGKSA-N 2 1 285.432 0.559 20 30 CCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001327187665 914408753 /nfs/dbraw/zinc/40/87/53/914408753.db2.gz GHQXBCJVCZTHHT-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CCC ZINC001488684051 900341790 /nfs/dbraw/zinc/34/17/90/900341790.db2.gz RYDCIHPVNQABCR-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CCN1CC[C@@H]1CN(C)C(=O)C[N@H+](C)CCC ZINC001488684051 900341759 /nfs/dbraw/zinc/34/17/59/900341759.db2.gz RYDCIHPVNQABCR-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)CCC ZINC001488684051 900341766 /nfs/dbraw/zinc/34/17/66/900341766.db2.gz RYDCIHPVNQABCR-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CCC ZINC001488684051 900341781 /nfs/dbraw/zinc/34/17/81/900341781.db2.gz RYDCIHPVNQABCR-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C=CC[NH2+][C@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001490725549 900703810 /nfs/dbraw/zinc/70/38/10/900703810.db2.gz ZBJYBUUEMNITCH-CQSZACIVSA-N 2 1 281.400 0.379 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064551 903832228 /nfs/dbraw/zinc/83/22/28/903832228.db2.gz OXXZUUOQKCVUNR-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969713 903847548 /nfs/dbraw/zinc/84/75/48/903847548.db2.gz XMPNIGWRYPILKK-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001316623258 904652915 /nfs/dbraw/zinc/65/29/15/904652915.db2.gz TYNWSIOILGACIR-OKILXGFUSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001283071717 904690779 /nfs/dbraw/zinc/69/07/79/904690779.db2.gz NSDHLTVSKUKLHJ-IHRRRGAJSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001283187843 904738203 /nfs/dbraw/zinc/73/82/03/904738203.db2.gz AMCKUAYNMYURGO-GJZGRUSLSA-N 2 1 275.396 0.592 20 30 CCEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001283187843 904738213 /nfs/dbraw/zinc/73/82/13/904738213.db2.gz AMCKUAYNMYURGO-GJZGRUSLSA-N 2 1 275.396 0.592 20 30 CCEDMP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001283755907 904997694 /nfs/dbraw/zinc/99/76/94/904997694.db2.gz KOYCMUFGQYLFAS-LSDHHAIUSA-N 2 1 297.443 0.892 20 30 CCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001283796211 905018000 /nfs/dbraw/zinc/01/80/00/905018000.db2.gz HXLVSLSBTRHLTE-HUUCEWRRSA-N 2 1 295.427 0.198 20 30 CCEDMP C#CCC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001284276945 905228307 /nfs/dbraw/zinc/22/83/07/905228307.db2.gz QSDOFURQUDUDNG-KGLIPLIRSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001284276945 905228324 /nfs/dbraw/zinc/22/83/24/905228324.db2.gz QSDOFURQUDUDNG-KGLIPLIRSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001492044946 907682762 /nfs/dbraw/zinc/68/27/62/907682762.db2.gz YFBULSNQIFDUGR-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001316744162 908564284 /nfs/dbraw/zinc/56/42/84/908564284.db2.gz MFDNIWKXRKYDDZ-CABCVRRESA-N 2 1 295.427 0.552 20 30 CCEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001316744162 908564301 /nfs/dbraw/zinc/56/43/01/908564301.db2.gz MFDNIWKXRKYDDZ-CABCVRRESA-N 2 1 295.427 0.552 20 30 CCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001316744162 908564316 /nfs/dbraw/zinc/56/43/16/908564316.db2.gz MFDNIWKXRKYDDZ-CABCVRRESA-N 2 1 295.427 0.552 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=O)NCC#CC[NH+](C)C ZINC001313439512 908668004 /nfs/dbraw/zinc/66/80/04/908668004.db2.gz XWEFJVBPEJGHPN-ZDUSSCGKSA-N 2 1 266.389 0.335 20 30 CCEDMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001316865547 908810053 /nfs/dbraw/zinc/81/00/53/908810053.db2.gz LZTDFPKKEOCFMW-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001316865547 908810066 /nfs/dbraw/zinc/81/00/66/908810066.db2.gz LZTDFPKKEOCFMW-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001316865547 908810079 /nfs/dbraw/zinc/81/00/79/908810079.db2.gz LZTDFPKKEOCFMW-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317152047 909019208 /nfs/dbraw/zinc/01/92/08/909019208.db2.gz CHALKABBQQXLTQ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317445544 909213744 /nfs/dbraw/zinc/21/37/44/909213744.db2.gz AKFNEAFDCNASSC-AWEZNQCLSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[N@@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317491324 909260920 /nfs/dbraw/zinc/26/09/20/909260920.db2.gz UUQVQDAVNQGVCW-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317491324 909260930 /nfs/dbraw/zinc/26/09/30/909260930.db2.gz UUQVQDAVNQGVCW-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317491324 909260939 /nfs/dbraw/zinc/26/09/39/909260939.db2.gz UUQVQDAVNQGVCW-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317529562 909295998 /nfs/dbraw/zinc/29/59/98/909295998.db2.gz YKPGEVJAQVHFSV-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317529562 909296013 /nfs/dbraw/zinc/29/60/13/909296013.db2.gz YKPGEVJAQVHFSV-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317529562 909296023 /nfs/dbraw/zinc/29/60/23/909296023.db2.gz YKPGEVJAQVHFSV-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001317677482 909463783 /nfs/dbraw/zinc/46/37/83/909463783.db2.gz PDMRZPYSJUUFSX-ZFWWWQNUSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001317677482 909463793 /nfs/dbraw/zinc/46/37/93/909463793.db2.gz PDMRZPYSJUUFSX-ZFWWWQNUSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@@H](CC)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001318594683 909833517 /nfs/dbraw/zinc/83/35/17/909833517.db2.gz JOEXFZKOFQCWCT-STQMWFEESA-N 2 1 253.390 0.999 20 30 CCEDMP C#CC[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001319198380 910033778 /nfs/dbraw/zinc/03/37/78/910033778.db2.gz VAJHJJOJUILBJC-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001329441911 915917966 /nfs/dbraw/zinc/91/79/66/915917966.db2.gz POHHZPMMEMMZAK-MGPQQGTHSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001329441911 915917986 /nfs/dbraw/zinc/91/79/86/915917986.db2.gz POHHZPMMEMMZAK-MGPQQGTHSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001329441911 915918007 /nfs/dbraw/zinc/91/80/07/915918007.db2.gz POHHZPMMEMMZAK-MGPQQGTHSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001330445104 916635070 /nfs/dbraw/zinc/63/50/70/916635070.db2.gz JMVUXQJQKBHLOU-KGLIPLIRSA-N 2 1 281.400 0.165 20 30 CCEDMP C#CC[N@@H+](C)CCOCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001331161267 917138010 /nfs/dbraw/zinc/13/80/10/917138010.db2.gz OFHSKLNUWBZXQE-AWEZNQCLSA-N 2 1 281.400 0.026 20 30 CCEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001331630019 917462442 /nfs/dbraw/zinc/46/24/42/917462442.db2.gz FPZVZMKDQNBQGT-NSHDSACASA-N 2 1 250.346 0.814 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001335686402 920367842 /nfs/dbraw/zinc/36/78/42/920367842.db2.gz BLRLLKJMMJPRDO-UHFFFAOYSA-N 2 1 278.400 0.511 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)c2cnc(C[NH3+])s2)CC1 ZINC001353535284 925864711 /nfs/dbraw/zinc/86/47/11/925864711.db2.gz QBTHYYDQLLILHU-UHFFFAOYSA-N 2 1 280.397 0.982 20 30 CCEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001448875858 931014457 /nfs/dbraw/zinc/01/44/57/931014457.db2.gz YOEIULVKCBWJMN-LSDHHAIUSA-N 2 1 294.443 0.341 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001450063737 931227319 /nfs/dbraw/zinc/22/73/19/931227319.db2.gz HREHQGDNPXDUNJ-ZDUSSCGKSA-N 2 1 269.389 0.067 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000073436868 348952188 /nfs/dbraw/zinc/95/21/88/348952188.db2.gz HOBHBHWDIOORBS-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000073436868 348952192 /nfs/dbraw/zinc/95/21/92/348952192.db2.gz HOBHBHWDIOORBS-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000075007489 349016986 /nfs/dbraw/zinc/01/69/86/349016986.db2.gz KRNJPZAZZYPFDW-UHFFFAOYSA-N 2 1 296.415 0.449 20 30 CCEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC#N)CC1 ZINC000145098735 350465192 /nfs/dbraw/zinc/46/51/92/350465192.db2.gz KUEGORWMOXVBGC-UHFFFAOYSA-N 2 1 259.313 0.686 20 30 CCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173614983 351047359 /nfs/dbraw/zinc/04/73/59/351047359.db2.gz OGKMKDGNHDCAEE-GFCCVEGCSA-N 2 1 251.374 0.587 20 30 CCEDMP C=C[C@@H](C(=O)OC)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603232005 363013981 /nfs/dbraw/zinc/01/39/81/363013981.db2.gz BYDWNAXIWMJHSJ-ZDUSSCGKSA-N 2 1 293.371 0.144 20 30 CCEDMP C=CCOCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000591154830 359563752 /nfs/dbraw/zinc/56/37/52/359563752.db2.gz TYVABCHNXKBTDR-UHFFFAOYSA-N 2 1 290.367 0.975 20 30 CCEDMP COCC#CC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000611194796 363679194 /nfs/dbraw/zinc/67/91/94/363679194.db2.gz NJYPCIZBAYEBIO-MRXNPFEDSA-N 2 1 279.428 0.737 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593735728 360144161 /nfs/dbraw/zinc/14/41/61/360144161.db2.gz ZQLPFFHCTOPYMO-XUJVJEKNSA-N 2 1 294.399 0.448 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593735728 360144165 /nfs/dbraw/zinc/14/41/65/360144165.db2.gz ZQLPFFHCTOPYMO-XUJVJEKNSA-N 2 1 294.399 0.448 20 30 CCEDMP COCC[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594436673 360306294 /nfs/dbraw/zinc/30/62/94/360306294.db2.gz PNJMHSQLGMRHBZ-AWEZNQCLSA-N 2 1 296.415 0.578 20 30 CCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)CC#N ZINC000597942791 361286872 /nfs/dbraw/zinc/28/68/72/361286872.db2.gz OZTKPUZJCDLQHJ-STQMWFEESA-N 2 1 268.405 0.924 20 30 CCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)CC#N ZINC000597942791 361286874 /nfs/dbraw/zinc/28/68/74/361286874.db2.gz OZTKPUZJCDLQHJ-STQMWFEESA-N 2 1 268.405 0.924 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000491764397 262015754 /nfs/dbraw/zinc/01/57/54/262015754.db2.gz AGTBVVDHOJRPLN-ZDUSSCGKSA-N 2 1 266.389 0.322 20 30 CCEDMP C[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000037887426 388849243 /nfs/dbraw/zinc/84/92/43/388849243.db2.gz JTZWCERJFCEVAK-HNNXBMFYSA-N 2 1 289.379 0.982 20 30 CCEDMP C=C(C)CNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000104191959 389080406 /nfs/dbraw/zinc/08/04/06/389080406.db2.gz LWBAWOWZDOZQKW-CYBMUJFWSA-N 2 1 295.431 0.410 20 30 CCEDMP CC1CCN(C(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303385371 389080835 /nfs/dbraw/zinc/08/08/35/389080835.db2.gz VNJSDTGHYXKAQG-UHFFFAOYSA-N 2 1 268.405 0.755 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000328135672 389127256 /nfs/dbraw/zinc/12/72/56/389127256.db2.gz YAHOHVHHAOMMBG-OAHLLOKOSA-N 2 1 276.380 0.971 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000328135672 389127259 /nfs/dbraw/zinc/12/72/59/389127259.db2.gz YAHOHVHHAOMMBG-OAHLLOKOSA-N 2 1 276.380 0.971 20 30 CCEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000328723653 389134303 /nfs/dbraw/zinc/13/43/03/389134303.db2.gz AOMZSVOXQZYDIE-HUUCEWRRSA-N 2 1 293.411 0.838 20 30 CCEDMP O[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000339782859 389139888 /nfs/dbraw/zinc/13/98/88/389139888.db2.gz ZRYWDIGFXOTBDE-HZPDHXFCSA-N 2 1 280.412 0.683 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125364957 389165503 /nfs/dbraw/zinc/16/55/03/389165503.db2.gz FTLFIQYNOSALSY-TUAOUCFPSA-N 2 1 280.372 0.057 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125364957 389165504 /nfs/dbraw/zinc/16/55/04/389165504.db2.gz FTLFIQYNOSALSY-TUAOUCFPSA-N 2 1 280.372 0.057 20 30 CCEDMP CN1CC[NH+]=C1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000262475826 389287279 /nfs/dbraw/zinc/28/72/79/389287279.db2.gz BWXVRSUNYZMOIG-GXTWGEPZSA-N 2 1 290.415 0.694 20 30 CCEDMP C#CCNC(NC[C@@]1([NH+](C)C)CCSC1)=[NH+]C ZINC000262778763 389294914 /nfs/dbraw/zinc/29/49/14/389294914.db2.gz KRILGJQKAUJQBV-LBPRGKRZSA-N 2 1 254.403 0.222 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccnc1 ZINC000264101970 389307078 /nfs/dbraw/zinc/30/70/78/389307078.db2.gz MVONLOJFBWXUEO-UHFFFAOYSA-N 2 1 277.372 0.208 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cc(C)cn1 ZINC000267432924 389371265 /nfs/dbraw/zinc/37/12/65/389371265.db2.gz MYIVMEFTLSFXMZ-ZDUSSCGKSA-N 2 1 278.404 0.580 20 30 CCEDMP COc1cc(CNC[C@H]2C[NH2+]CCO2)ccc1C#N ZINC000415090372 389657051 /nfs/dbraw/zinc/65/70/51/389657051.db2.gz AINASELTSBQCGH-CYBMUJFWSA-N 2 1 261.325 0.645 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352451116 389813009 /nfs/dbraw/zinc/81/30/09/389813009.db2.gz VIKXOODXOWIEJV-UHFFFAOYSA-N 2 1 282.363 0.478 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)C1CCN(CC)CC1 ZINC000491513300 390114306 /nfs/dbraw/zinc/11/43/06/390114306.db2.gz BKEFTHYXVQXMIV-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCNC(=O)CC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000491513300 390114307 /nfs/dbraw/zinc/11/43/07/390114307.db2.gz BKEFTHYXVQXMIV-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000491513300 390114308 /nfs/dbraw/zinc/11/43/08/390114308.db2.gz BKEFTHYXVQXMIV-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000491643020 390115446 /nfs/dbraw/zinc/11/54/46/390115446.db2.gz CZLSWVBJFLYWMT-CQSZACIVSA-N 2 1 266.389 0.322 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000491643019 390115483 /nfs/dbraw/zinc/11/54/83/390115483.db2.gz CZLSWVBJFLYWMT-AWEZNQCLSA-N 2 1 266.389 0.322 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000520814276 390589800 /nfs/dbraw/zinc/58/98/00/390589800.db2.gz MXZQLQDRQWHIBZ-KBPBESRZSA-N 2 1 293.411 0.461 20 30 CCEDMP C[C@H](O)C[NH+](CC#CC[N@H+](C[C@H](C)O)C1CC1)C1CC1 ZINC000653901987 412363581 /nfs/dbraw/zinc/36/35/81/412363581.db2.gz HWMBFBJAYINYHT-KBPBESRZSA-N 2 1 280.412 0.680 20 30 CCEDMP C=CC[C@@]1(C(=O)NCC[N@H+](C)C2CC2)CCC[NH2+]1 ZINC000662696892 414742797 /nfs/dbraw/zinc/74/27/97/414742797.db2.gz YGBAUKIMYCHESV-AWEZNQCLSA-N 2 1 251.374 0.895 20 30 CCEDMP C[C@@H]1C[NH+](CC#CC[N@H+]2CC[C@H](O)[C@H](C)C2)CC[C@H]1O ZINC000342119819 263389682 /nfs/dbraw/zinc/38/96/82/263389682.db2.gz CZCLYBUTMYOSGQ-FPCVCCKLSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1C[N@H+](CC#CC[NH+]2CC[C@H](O)[C@H](C)C2)CC[C@H]1O ZINC000342119819 263389684 /nfs/dbraw/zinc/38/96/84/263389684.db2.gz CZCLYBUTMYOSGQ-FPCVCCKLSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1C[N@@H+](CC#CC[NH+]2CC[C@H](O)[C@H](C)C2)CC[C@H]1O ZINC000342119819 263389687 /nfs/dbraw/zinc/38/96/87/263389687.db2.gz CZCLYBUTMYOSGQ-FPCVCCKLSA-N 2 1 280.412 0.395 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCCCn1cc[nH+]c1C ZINC000296325124 275380298 /nfs/dbraw/zinc/38/02/98/275380298.db2.gz LYACBAKBLZYEFC-UHFFFAOYSA-N 2 1 291.399 0.836 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCCn1cc[nH+]c1C ZINC000296325124 275380301 /nfs/dbraw/zinc/38/03/01/275380301.db2.gz LYACBAKBLZYEFC-UHFFFAOYSA-N 2 1 291.399 0.836 20 30 CCEDMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000332729559 290174886 /nfs/dbraw/zinc/17/48/86/290174886.db2.gz VDJVSIOPNKGTSQ-BFHYXJOUSA-N 2 1 278.400 0.950 20 30 CCEDMP C[NH+]=C(NCc1nccn1C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261752374 328140963 /nfs/dbraw/zinc/14/09/63/328140963.db2.gz LZDLHDSTVDXAGH-AAEUAGOBSA-N 2 1 290.415 0.568 20 30 CCEDMP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262302371 330005075 /nfs/dbraw/zinc/00/50/75/330005075.db2.gz OAKHVSXGWSNPHV-LBPRGKRZSA-N 2 1 295.431 0.255 20 30 CCEDMP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262302371 330005076 /nfs/dbraw/zinc/00/50/76/330005076.db2.gz OAKHVSXGWSNPHV-LBPRGKRZSA-N 2 1 295.431 0.255 20 30 CCEDMP C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262769415 330030342 /nfs/dbraw/zinc/03/03/42/330030342.db2.gz HKLFZCKLPCZCDK-GFCCVEGCSA-N 2 1 280.416 0.693 20 30 CCEDMP C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262769415 330030344 /nfs/dbraw/zinc/03/03/44/330030344.db2.gz HKLFZCKLPCZCDK-GFCCVEGCSA-N 2 1 280.416 0.693 20 30 CCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424141605 330283328 /nfs/dbraw/zinc/28/33/28/330283328.db2.gz GQWDAMQXAHYJGJ-RAIGVLPGSA-N 2 1 264.373 0.606 20 30 CCEDMP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1CCOC ZINC000424145367 330290304 /nfs/dbraw/zinc/29/03/04/330290304.db2.gz NKZPFKDCLHJNBA-KBPBESRZSA-N 2 1 296.415 0.577 20 30 CCEDMP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1CCOC ZINC000424145367 330290305 /nfs/dbraw/zinc/29/03/05/330290305.db2.gz NKZPFKDCLHJNBA-KBPBESRZSA-N 2 1 296.415 0.577 20 30 CCEDMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424172823 330312874 /nfs/dbraw/zinc/31/28/74/330312874.db2.gz KTIXQTJDFRNTKB-CHWSQXEVSA-N 2 1 266.389 0.806 20 30 CCEDMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424172823 330312875 /nfs/dbraw/zinc/31/28/75/330312875.db2.gz KTIXQTJDFRNTKB-CHWSQXEVSA-N 2 1 266.389 0.806 20 30 CCEDMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424173955 330313685 /nfs/dbraw/zinc/31/36/85/330313685.db2.gz MMQKUHCLRDOIEP-PWSUYJOCSA-N 2 1 256.325 0.168 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000491166892 332160312 /nfs/dbraw/zinc/16/03/12/332160312.db2.gz VCCKCWVLKGZDGC-OAHLLOKOSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000491166892 332160313 /nfs/dbraw/zinc/16/03/13/332160313.db2.gz VCCKCWVLKGZDGC-OAHLLOKOSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000491166892 332160314 /nfs/dbraw/zinc/16/03/14/332160314.db2.gz VCCKCWVLKGZDGC-OAHLLOKOSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CC[N@H+](C)CCCNS(=O)(=O)CC[NH+](CC)CC ZINC000491200518 332164300 /nfs/dbraw/zinc/16/43/00/332164300.db2.gz AGLFGGMHALMWED-UHFFFAOYSA-N 2 1 289.445 0.203 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC)C2)CC1 ZINC000491265899 332177090 /nfs/dbraw/zinc/17/70/90/332177090.db2.gz NDZDIVVWPIKULO-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000491473161 332217503 /nfs/dbraw/zinc/21/75/03/332217503.db2.gz BGUJHXAAZGECDR-HNNXBMFYSA-N 2 1 294.443 0.971 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000491473161 332217504 /nfs/dbraw/zinc/21/75/04/332217504.db2.gz BGUJHXAAZGECDR-HNNXBMFYSA-N 2 1 294.443 0.971 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000491473161 332217505 /nfs/dbraw/zinc/21/75/05/332217505.db2.gz BGUJHXAAZGECDR-HNNXBMFYSA-N 2 1 294.443 0.971 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000491711198 332302714 /nfs/dbraw/zinc/30/27/14/332302714.db2.gz ZZQAJBSWLCPUHG-LBPRGKRZSA-N 2 1 254.378 0.191 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000491728388 332311047 /nfs/dbraw/zinc/31/10/47/332311047.db2.gz MHHFHHPGLLMFSH-GJZGRUSLSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000491728388 332311049 /nfs/dbraw/zinc/31/10/49/332311049.db2.gz MHHFHHPGLLMFSH-GJZGRUSLSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000491728388 332311050 /nfs/dbraw/zinc/31/10/50/332311050.db2.gz MHHFHHPGLLMFSH-GJZGRUSLSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000491738718 332318502 /nfs/dbraw/zinc/31/85/02/332318502.db2.gz CNEHQHURPYJMSE-GASCZTMLSA-N 2 1 292.427 0.583 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000491763819 332332700 /nfs/dbraw/zinc/33/27/00/332332700.db2.gz ACZXNAVDMFQVBK-CYBMUJFWSA-N 2 1 268.405 0.614 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000491767384 332334986 /nfs/dbraw/zinc/33/49/86/332334986.db2.gz IVCZXEHEJHFWEE-AWEZNQCLSA-N 2 1 265.332 0.799 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000491767384 332334987 /nfs/dbraw/zinc/33/49/87/332334987.db2.gz IVCZXEHEJHFWEE-AWEZNQCLSA-N 2 1 265.332 0.799 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@@H+](CC)CC2CCC2)CC1 ZINC000491794278 332354046 /nfs/dbraw/zinc/35/40/46/332354046.db2.gz PTLVBBHMODJNFG-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000730282637 581690744 /nfs/dbraw/zinc/69/07/44/581690744.db2.gz NNFYHKVUKAHOBQ-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000730282637 581690745 /nfs/dbraw/zinc/69/07/45/581690745.db2.gz NNFYHKVUKAHOBQ-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000730281696 581691193 /nfs/dbraw/zinc/69/11/93/581691193.db2.gz SOATZUNWFOAFEW-KFWWJZLASA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000730281696 581691197 /nfs/dbraw/zinc/69/11/97/581691197.db2.gz SOATZUNWFOAFEW-KFWWJZLASA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000730281696 581691206 /nfs/dbraw/zinc/69/12/06/581691206.db2.gz SOATZUNWFOAFEW-KFWWJZLASA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000730281696 581691212 /nfs/dbraw/zinc/69/12/12/581691212.db2.gz SOATZUNWFOAFEW-KFWWJZLASA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741721216 581760671 /nfs/dbraw/zinc/76/06/71/581760671.db2.gz HIYBOXQEWNTHRV-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741721216 581760673 /nfs/dbraw/zinc/76/06/73/581760673.db2.gz HIYBOXQEWNTHRV-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000741721216 581760676 /nfs/dbraw/zinc/76/06/76/581760676.db2.gz HIYBOXQEWNTHRV-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000741721216 581760677 /nfs/dbraw/zinc/76/06/77/581760677.db2.gz HIYBOXQEWNTHRV-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000963177074 612955813 /nfs/dbraw/zinc/95/58/13/612955813.db2.gz HHMJMDMDOILWLJ-NRXISQOPSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000963177074 612955815 /nfs/dbraw/zinc/95/58/15/612955815.db2.gz HHMJMDMDOILWLJ-NRXISQOPSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000841910457 613074572 /nfs/dbraw/zinc/07/45/72/613074572.db2.gz RFUWFVPUYXNONW-KGLIPLIRSA-N 2 1 280.416 0.710 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000872209649 613079053 /nfs/dbraw/zinc/07/90/53/613079053.db2.gz YMBYCFOKJOFVOZ-HUUCEWRRSA-N 2 1 268.401 0.443 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000872209649 613079054 /nfs/dbraw/zinc/07/90/54/613079054.db2.gz YMBYCFOKJOFVOZ-HUUCEWRRSA-N 2 1 268.401 0.443 20 30 CCEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902370998 613885862 /nfs/dbraw/zinc/88/58/62/613885862.db2.gz QGYCYYNOMUCNRN-GFCCVEGCSA-N 2 1 274.430 0.955 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000965841659 612954151 /nfs/dbraw/zinc/95/41/51/612954151.db2.gz JRECOSOFUSMBDW-DPGVGJJJSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000969723357 612963571 /nfs/dbraw/zinc/96/35/71/612963571.db2.gz VXITXWUUDMDOJW-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000931344600 613009335 /nfs/dbraw/zinc/00/93/35/613009335.db2.gz PFUSLSXMBWFZRX-UHFFFAOYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCN2C)C(C)(C)C1 ZINC000972860303 613038120 /nfs/dbraw/zinc/03/81/20/613038120.db2.gz PORVCVRIVVRTCF-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000972860303 613038121 /nfs/dbraw/zinc/03/81/21/613038121.db2.gz PORVCVRIVVRTCF-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972860303 613038124 /nfs/dbraw/zinc/03/81/24/613038124.db2.gz PORVCVRIVVRTCF-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972860303 613038126 /nfs/dbraw/zinc/03/81/26/613038126.db2.gz PORVCVRIVVRTCF-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000886364072 613046810 /nfs/dbraw/zinc/04/68/10/613046810.db2.gz NWYJIYZCQYRXLM-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000886364072 613046812 /nfs/dbraw/zinc/04/68/12/613046812.db2.gz NWYJIYZCQYRXLM-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000823187429 613073275 /nfs/dbraw/zinc/07/32/75/613073275.db2.gz FKNCSIRMSJXLPB-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000823187429 613073277 /nfs/dbraw/zinc/07/32/77/613073277.db2.gz FKNCSIRMSJXLPB-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000823187429 613073278 /nfs/dbraw/zinc/07/32/78/613073278.db2.gz FKNCSIRMSJXLPB-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000841910399 613076900 /nfs/dbraw/zinc/07/69/00/613076900.db2.gz POFWPYKBUYQXRX-ZDUSSCGKSA-N 2 1 266.389 0.383 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000894863357 613079024 /nfs/dbraw/zinc/07/90/24/613079024.db2.gz AGICSPCLUWHYOG-KGLIPLIRSA-N 2 1 254.374 0.583 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000894863357 613079025 /nfs/dbraw/zinc/07/90/25/613079025.db2.gz AGICSPCLUWHYOG-KGLIPLIRSA-N 2 1 254.374 0.583 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971551417 613092946 /nfs/dbraw/zinc/09/29/46/613092946.db2.gz JCKQXYQDDRCWIW-GJZGRUSLSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000928654713 613135945 /nfs/dbraw/zinc/13/59/45/613135945.db2.gz AOTKUFGEVUBMTE-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000923568705 613173142 /nfs/dbraw/zinc/17/31/42/613173142.db2.gz JIQZXQLOQMJBCL-KGLIPLIRSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000923568705 613173143 /nfs/dbraw/zinc/17/31/43/613173143.db2.gz JIQZXQLOQMJBCL-KGLIPLIRSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000884206254 613185893 /nfs/dbraw/zinc/18/58/93/613185893.db2.gz QDCMWDHMBUHVCD-KBPBESRZSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000884206254 613185894 /nfs/dbraw/zinc/18/58/94/613185894.db2.gz QDCMWDHMBUHVCD-KBPBESRZSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000884206254 613185895 /nfs/dbraw/zinc/18/58/95/613185895.db2.gz QDCMWDHMBUHVCD-KBPBESRZSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000884206254 613185896 /nfs/dbraw/zinc/18/58/96/613185896.db2.gz QDCMWDHMBUHVCD-KBPBESRZSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848293557 613199475 /nfs/dbraw/zinc/19/94/75/613199475.db2.gz QNFPRDXVPXJOAH-MJBXVCDLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848293557 613199476 /nfs/dbraw/zinc/19/94/76/613199476.db2.gz QNFPRDXVPXJOAH-MJBXVCDLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C[NH+](C)C)OCC ZINC000831708139 613200230 /nfs/dbraw/zinc/20/02/30/613200230.db2.gz PVMIDQMRCMRZHN-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C[NH+](C)C)OCC ZINC000831708139 613200233 /nfs/dbraw/zinc/20/02/33/613200233.db2.gz PVMIDQMRCMRZHN-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968191323 613213369 /nfs/dbraw/zinc/21/33/69/613213369.db2.gz MICNXEDRGYPPSB-HIFRSBDPSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968191323 613213371 /nfs/dbraw/zinc/21/33/71/613213371.db2.gz MICNXEDRGYPPSB-HIFRSBDPSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944151531 613223819 /nfs/dbraw/zinc/22/38/19/613223819.db2.gz ABPHDYFEEUTISA-UONOGXRCSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944965658 613228190 /nfs/dbraw/zinc/22/81/90/613228190.db2.gz TWTWOXUCOBKXBO-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944965658 613228192 /nfs/dbraw/zinc/22/81/92/613228192.db2.gz TWTWOXUCOBKXBO-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048327 613280278 /nfs/dbraw/zinc/28/02/78/613280278.db2.gz HDAMOHUVWAVKAV-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048327 613280279 /nfs/dbraw/zinc/28/02/79/613280279.db2.gz HDAMOHUVWAVKAV-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048327 613280280 /nfs/dbraw/zinc/28/02/80/613280280.db2.gz HDAMOHUVWAVKAV-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048327 613280281 /nfs/dbraw/zinc/28/02/81/613280281.db2.gz HDAMOHUVWAVKAV-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000961598539 613316568 /nfs/dbraw/zinc/31/65/68/613316568.db2.gz OJMUYDRUMTYVFB-BTFPBAQTSA-N 2 1 275.396 0.396 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000961598539 613316569 /nfs/dbraw/zinc/31/65/69/613316569.db2.gz OJMUYDRUMTYVFB-BTFPBAQTSA-N 2 1 275.396 0.396 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000961598539 613316571 /nfs/dbraw/zinc/31/65/71/613316571.db2.gz OJMUYDRUMTYVFB-BTFPBAQTSA-N 2 1 275.396 0.396 20 30 CCEDMP C#CCNC(=O)CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931315686 613325873 /nfs/dbraw/zinc/32/58/73/613325873.db2.gz ZGMROHVFDRBRKA-GASCZTMLSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCNC(=O)CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931315686 613325875 /nfs/dbraw/zinc/32/58/75/613325875.db2.gz ZGMROHVFDRBRKA-GASCZTMLSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931315686 613325876 /nfs/dbraw/zinc/32/58/76/613325876.db2.gz ZGMROHVFDRBRKA-GASCZTMLSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931315686 613325878 /nfs/dbraw/zinc/32/58/78/613325878.db2.gz ZGMROHVFDRBRKA-GASCZTMLSA-N 2 1 263.385 0.400 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000908534770 613363723 /nfs/dbraw/zinc/36/37/23/613363723.db2.gz UCRFHDHEKYJVIO-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000907452755 613365146 /nfs/dbraw/zinc/36/51/46/613365146.db2.gz QMAGJADAGUYBAV-HNNXBMFYSA-N 2 1 296.459 0.637 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000900623796 613365417 /nfs/dbraw/zinc/36/54/17/613365417.db2.gz LOLFVBSPSXWVPE-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000876843849 613389380 /nfs/dbraw/zinc/38/93/80/613389380.db2.gz YDJITDPLFFRXNB-QWRGUYRKSA-N 2 1 297.790 0.363 20 30 CCEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923333810 613585993 /nfs/dbraw/zinc/58/59/93/613585993.db2.gz SWBFBHPHKGWRDA-ZIAGYGMSSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000971784929 613633495 /nfs/dbraw/zinc/63/34/95/613633495.db2.gz NXEUPHNPOLRHSH-HZSPNIEDSA-N 2 1 281.400 0.424 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000971784929 613633498 /nfs/dbraw/zinc/63/34/98/613633498.db2.gz NXEUPHNPOLRHSH-HZSPNIEDSA-N 2 1 281.400 0.424 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971784929 613633501 /nfs/dbraw/zinc/63/35/01/613633501.db2.gz NXEUPHNPOLRHSH-HZSPNIEDSA-N 2 1 281.400 0.424 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971784929 613633503 /nfs/dbraw/zinc/63/35/03/613633503.db2.gz NXEUPHNPOLRHSH-HZSPNIEDSA-N 2 1 281.400 0.424 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970869940 613663368 /nfs/dbraw/zinc/66/33/68/613663368.db2.gz RXJMJMLCPQLKSR-NEPJUHHUSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000960584632 613839775 /nfs/dbraw/zinc/83/97/75/613839775.db2.gz ZBIJXDBPRRTQME-RQJABVFESA-N 2 1 263.385 0.703 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC000960584632 613839776 /nfs/dbraw/zinc/83/97/76/613839776.db2.gz ZBIJXDBPRRTQME-RQJABVFESA-N 2 1 263.385 0.703 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC000960584632 613839777 /nfs/dbraw/zinc/83/97/77/613839777.db2.gz ZBIJXDBPRRTQME-RQJABVFESA-N 2 1 263.385 0.703 20 30 CCEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000963176195 613859561 /nfs/dbraw/zinc/85/95/61/613859561.db2.gz BDJZYMFYRLRDIW-YMAMQOFZSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000963176195 613859563 /nfs/dbraw/zinc/85/95/63/613859563.db2.gz BDJZYMFYRLRDIW-YMAMQOFZSA-N 2 1 295.427 0.862 20 30 CCEDMP CC[N@H+]1CCCC[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864707 615115486 /nfs/dbraw/zinc/11/54/86/615115486.db2.gz FKIZQEJZJIVRHX-HNNXBMFYSA-N 2 1 277.412 0.980 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000104155045 615131213 /nfs/dbraw/zinc/13/12/13/615131213.db2.gz KDSYUNUDXYPHCU-GFCCVEGCSA-N 3 1 269.437 0.715 20 30 CCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)N(C)C ZINC000104155045 615131214 /nfs/dbraw/zinc/13/12/14/615131214.db2.gz KDSYUNUDXYPHCU-GFCCVEGCSA-N 2 1 269.437 0.715 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)N(C)C ZINC000104155045 615131216 /nfs/dbraw/zinc/13/12/16/615131216.db2.gz KDSYUNUDXYPHCU-GFCCVEGCSA-N 2 1 269.437 0.715 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852854401 615132166 /nfs/dbraw/zinc/13/21/66/615132166.db2.gz HIBLDMUKVQWRSS-CQSZACIVSA-N 2 1 263.385 0.590 20 30 CCEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])NCC(C)C)CC1 ZINC000104174661 615159970 /nfs/dbraw/zinc/15/99/70/615159970.db2.gz ATEYIGOZOJYFBE-CQSZACIVSA-N 2 1 283.464 0.820 20 30 CCEDMP CCO[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C[NH+](C)C ZINC000905575113 615483943 /nfs/dbraw/zinc/48/39/43/615483943.db2.gz HCPUFJDOJLYUMB-CHWSQXEVSA-N 2 1 271.405 0.843 20 30 CCEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001026605467 625480310 /nfs/dbraw/zinc/48/03/10/625480310.db2.gz PYDVGMCENBZQLE-HSBZDZAISA-N 2 1 263.385 0.588 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000083102186 623090835 /nfs/dbraw/zinc/09/08/35/623090835.db2.gz ROKJIVBGYLXXFM-QWHCGFSZSA-N 2 1 279.432 0.340 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000083102186 623090841 /nfs/dbraw/zinc/09/08/41/623090841.db2.gz ROKJIVBGYLXXFM-QWHCGFSZSA-N 3 1 279.432 0.340 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000083102186 623090850 /nfs/dbraw/zinc/09/08/50/623090850.db2.gz ROKJIVBGYLXXFM-QWHCGFSZSA-N 3 1 279.432 0.340 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083102186 623090858 /nfs/dbraw/zinc/09/08/58/623090858.db2.gz ROKJIVBGYLXXFM-QWHCGFSZSA-N 3 1 279.432 0.340 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083102186 623090861 /nfs/dbraw/zinc/09/08/61/623090861.db2.gz ROKJIVBGYLXXFM-QWHCGFSZSA-N 3 1 279.432 0.340 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC)C1 ZINC001026894266 625654835 /nfs/dbraw/zinc/65/48/35/625654835.db2.gz YYFILDMYAWYEAU-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC)C1 ZINC001026894266 625654855 /nfs/dbraw/zinc/65/48/55/625654855.db2.gz YYFILDMYAWYEAU-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1CCOC)NC1CC1 ZINC000171612930 623821020 /nfs/dbraw/zinc/82/10/20/623821020.db2.gz KISWHIZHIBQKQR-LBPRGKRZSA-N 2 1 254.378 0.425 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001020720931 624586327 /nfs/dbraw/zinc/58/63/27/624586327.db2.gz GZTSTCXVFXRTMH-TUVASFSCSA-N 2 1 275.396 0.873 20 30 CCEDMP CCCNC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000303889980 632492966 /nfs/dbraw/zinc/49/29/66/632492966.db2.gz PTURYPKEGQOWHA-LBPRGKRZSA-N 2 1 255.410 0.184 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nc(C)no1 ZINC000303989821 632503530 /nfs/dbraw/zinc/50/35/30/632503530.db2.gz XXQULIYOCOQCTF-LLVKDONJSA-N 2 1 280.376 0.309 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007343398 650074558 /nfs/dbraw/zinc/07/45/58/650074558.db2.gz AJCAMONFRQJHGU-HUUCEWRRSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007343398 650074560 /nfs/dbraw/zinc/07/45/60/650074560.db2.gz AJCAMONFRQJHGU-HUUCEWRRSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001009597831 650150702 /nfs/dbraw/zinc/15/07/02/650150702.db2.gz YCEMOBYRYJWHMD-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001009597831 650150704 /nfs/dbraw/zinc/15/07/04/650150704.db2.gz YCEMOBYRYJWHMD-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009597831 650150706 /nfs/dbraw/zinc/15/07/06/650150706.db2.gz YCEMOBYRYJWHMD-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009597831 650150708 /nfs/dbraw/zinc/15/07/08/650150708.db2.gz YCEMOBYRYJWHMD-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995551893 638776100 /nfs/dbraw/zinc/77/61/00/638776100.db2.gz OTZQTBPRXBEUPL-OLZOCXBDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000996933931 638844892 /nfs/dbraw/zinc/84/48/92/638844892.db2.gz YYEAAGNKVNNVED-HNNXBMFYSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000996933931 638844895 /nfs/dbraw/zinc/84/48/95/638844895.db2.gz YYEAAGNKVNNVED-HNNXBMFYSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997008930 638848233 /nfs/dbraw/zinc/84/82/33/638848233.db2.gz NFWCVHFKEYNQNB-GXTWGEPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999681315 638990241 /nfs/dbraw/zinc/99/02/41/638990241.db2.gz DGHPHYWNRXXTOB-HSBZDZAISA-N 2 1 263.385 0.540 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000458771 639090966 /nfs/dbraw/zinc/09/09/66/639090966.db2.gz BVJJGENJCLCPER-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000469499 639096816 /nfs/dbraw/zinc/09/68/16/639096816.db2.gz XZCBGDWQIBFHBL-AWEZNQCLSA-N 2 1 281.400 0.475 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001000920356 639194645 /nfs/dbraw/zinc/19/46/45/639194645.db2.gz UKBWQIGNZGLBOW-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001000921414 639195130 /nfs/dbraw/zinc/19/51/30/639195130.db2.gz VMBYSBVSSJBBHG-CYBMUJFWSA-N 2 1 260.341 0.405 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001000973445 639203428 /nfs/dbraw/zinc/20/34/28/639203428.db2.gz WDDQELYURSRIJB-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001000973445 639203434 /nfs/dbraw/zinc/20/34/34/639203434.db2.gz WDDQELYURSRIJB-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002118719 639369124 /nfs/dbraw/zinc/36/91/24/639369124.db2.gz SASDJQBRAKMLCL-CQSZACIVSA-N 2 1 265.401 0.952 20 30 CCEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002533686 639425492 /nfs/dbraw/zinc/42/54/92/639425492.db2.gz MHGDPTAWUHCXOX-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002533686 639425499 /nfs/dbraw/zinc/42/54/99/639425499.db2.gz MHGDPTAWUHCXOX-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001004161069 639704374 /nfs/dbraw/zinc/70/43/74/639704374.db2.gz PZODTMZQSUOHQF-UHFFFAOYSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015091756 650527605 /nfs/dbraw/zinc/52/76/05/650527605.db2.gz YGFVDBBWOXIGKD-AWEZNQCLSA-N 2 1 275.396 0.829 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015275050 650548433 /nfs/dbraw/zinc/54/84/33/650548433.db2.gz VSLWWXYAALGVGG-ZDUSSCGKSA-N 2 1 268.320 0.772 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015275050 650548435 /nfs/dbraw/zinc/54/84/35/650548435.db2.gz VSLWWXYAALGVGG-ZDUSSCGKSA-N 2 1 268.320 0.772 20 30 CCEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000923412405 640127806 /nfs/dbraw/zinc/12/78/06/640127806.db2.gz VSZBSWYLJMTBEF-YUELXQCFSA-N 2 1 289.379 0.825 20 30 CCEDMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000831971317 642424369 /nfs/dbraw/zinc/42/43/69/642424369.db2.gz VFJAXYZLGSDJAH-VXGBXAGGSA-N 2 1 252.362 0.608 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016930013 650772203 /nfs/dbraw/zinc/77/22/03/650772203.db2.gz HXAYFVWFXMIYTH-GJZGRUSLSA-N 2 1 289.423 0.932 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000852860292 644028831 /nfs/dbraw/zinc/02/88/31/644028831.db2.gz OXRBTFBSDZJCRG-GJZGRUSLSA-N 2 1 275.396 0.732 20 30 CCEDMP C[C@H]1CC[N@@H+](CCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852869244 644033524 /nfs/dbraw/zinc/03/35/24/644033524.db2.gz AAZDRMPCQDYJHV-ZDUSSCGKSA-N 2 1 263.385 0.447 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001019652830 650996000 /nfs/dbraw/zinc/99/60/00/650996000.db2.gz XRQZTBYCEPMKAY-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020178647 651046888 /nfs/dbraw/zinc/04/68/88/651046888.db2.gz AMVCMXUCLYYNIJ-XDQVBPFNSA-N 2 1 279.384 0.272 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001020149842 651044574 /nfs/dbraw/zinc/04/45/74/651044574.db2.gz FDTBHMGSMHAJCE-AJNGGQMLSA-N 2 1 275.396 0.731 20 30 CCEDMP CS[C@@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000130711256 647475441 /nfs/dbraw/zinc/47/54/41/647475441.db2.gz KUEZXXCGMRTQFA-NSHDSACASA-N 2 1 274.434 0.365 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303771603 649824359 /nfs/dbraw/zinc/82/43/59/649824359.db2.gz CSVOIETUNRGRRO-STQMWFEESA-N 2 1 286.420 0.282 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCCOC ZINC000303868668 649826026 /nfs/dbraw/zinc/82/60/26/649826026.db2.gz DKNFAUKXFGYBJA-LBPRGKRZSA-N 2 1 272.393 0.038 20 30 CCEDMP CN(C)C(=[NH+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)N(C)C ZINC000303973136 649827470 /nfs/dbraw/zinc/82/74/70/649827470.db2.gz GREAOOWHSGJAGY-GFCCVEGCSA-N 2 1 283.420 0.053 20 30 CCEDMP Cc1ncsc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303986704 649827752 /nfs/dbraw/zinc/82/77/52/649827752.db2.gz UQVXRSDYUZEUEI-UHFFFAOYSA-N 2 1 297.428 0.578 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCOC ZINC000303987302 649827940 /nfs/dbraw/zinc/82/79/40/649827940.db2.gz VHMHGXOYFMIPEV-ZDUSSCGKSA-N 2 1 286.420 0.428 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCO[C@H]1CCOC1 ZINC000305015465 649840597 /nfs/dbraw/zinc/84/05/97/649840597.db2.gz LUNZYHYXKXCEOP-KBPBESRZSA-N 2 1 298.431 0.571 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266323033 790504040 /nfs/dbraw/zinc/50/40/40/790504040.db2.gz SWDPVBXZOGRSJE-LBPRGKRZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266323033 790504046 /nfs/dbraw/zinc/50/40/46/790504046.db2.gz SWDPVBXZOGRSJE-LBPRGKRZSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266398844 790636628 /nfs/dbraw/zinc/63/66/28/790636628.db2.gz FFHRWIIOKMCHCL-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266398844 790636631 /nfs/dbraw/zinc/63/66/31/790636631.db2.gz FFHRWIIOKMCHCL-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001266398844 790636633 /nfs/dbraw/zinc/63/66/33/790636633.db2.gz FFHRWIIOKMCHCL-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001167232859 790725304 /nfs/dbraw/zinc/72/53/04/790725304.db2.gz SEONFTRZNOWBDY-CQSZACIVSA-N 2 1 277.412 0.838 20 30 CCEDMP N#Cc1cnc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cn1 ZINC001210261587 790842616 /nfs/dbraw/zinc/84/26/16/790842616.db2.gz CCSDCIIJWHLBHP-UHFFFAOYSA-N 2 1 281.323 0.896 20 30 CCEDMP C#CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001266619293 791044805 /nfs/dbraw/zinc/04/48/05/791044805.db2.gz HHMNQCHZYONKLD-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001266619293 791044814 /nfs/dbraw/zinc/04/48/14/791044814.db2.gz HHMNQCHZYONKLD-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001266619293 791044825 /nfs/dbraw/zinc/04/48/25/791044825.db2.gz HHMNQCHZYONKLD-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001266995795 791429567 /nfs/dbraw/zinc/42/95/67/791429567.db2.gz YZLKUUPGVIKXBY-LLVKDONJSA-N 2 1 250.346 0.862 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267011683 791441251 /nfs/dbraw/zinc/44/12/51/791441251.db2.gz BGNOLYROQOHBCZ-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246022936 807121545 /nfs/dbraw/zinc/12/15/45/807121545.db2.gz RACFIZQQWLRHNI-QWHCGFSZSA-N 2 1 260.353 0.703 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267255185 793252189 /nfs/dbraw/zinc/25/21/89/793252189.db2.gz BSUVIOIZBBLQPG-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH+](CC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267255185 793252198 /nfs/dbraw/zinc/25/21/98/793252198.db2.gz BSUVIOIZBBLQPG-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH+](CC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267255185 793252208 /nfs/dbraw/zinc/25/22/08/793252208.db2.gz BSUVIOIZBBLQPG-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP N#Cc1ccccc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234982220 806325070 /nfs/dbraw/zinc/32/50/70/806325070.db2.gz NNZMTRAHKUJYKH-HNNXBMFYSA-N 2 1 256.353 0.696 20 30 CCEDMP N#Cc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)nc1 ZINC001234991054 806338020 /nfs/dbraw/zinc/33/80/20/806338020.db2.gz VYWFSLUGPGLYEM-CQSZACIVSA-N 2 1 257.341 0.091 20 30 CCEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001277938982 806410837 /nfs/dbraw/zinc/41/08/37/806410837.db2.gz XPBXYKHQBQKMLI-OCCSQVGLSA-N 2 1 288.395 0.824 20 30 CCEDMP CN(C)C(=O)C[N@@H+]1CC[C@H]2C[NH+](CCC#N)C[C@H]2CC1 ZINC001277938967 806410871 /nfs/dbraw/zinc/41/08/71/806410871.db2.gz KMOMJBIDFVHICF-OKILXGFUSA-N 2 1 278.400 0.632 20 30 CCEDMP CN(C)C(=O)C[NH+]1CC[C@H]2C[N@@H+](CCC#N)C[C@H]2CC1 ZINC001277938967 806410875 /nfs/dbraw/zinc/41/08/75/806410875.db2.gz KMOMJBIDFVHICF-OKILXGFUSA-N 2 1 278.400 0.632 20 30 CCEDMP CN(C)C(=O)C[NH+]1CC[C@H]2C[N@H+](CCC#N)C[C@H]2CC1 ZINC001277938967 806410877 /nfs/dbraw/zinc/41/08/77/806410877.db2.gz KMOMJBIDFVHICF-OKILXGFUSA-N 2 1 278.400 0.632 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001122447469 799237548 /nfs/dbraw/zinc/23/75/48/799237548.db2.gz FPQTXWPBYFYBIX-IHRRRGAJSA-N 2 1 282.432 0.421 20 30 CCEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125226436 799667030 /nfs/dbraw/zinc/66/70/30/799667030.db2.gz BTVHLNQFLBAJIH-CQSZACIVSA-N 2 1 285.432 0.993 20 30 CCEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125226436 799667034 /nfs/dbraw/zinc/66/70/34/799667034.db2.gz BTVHLNQFLBAJIH-CQSZACIVSA-N 2 1 285.432 0.993 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150192694 800323416 /nfs/dbraw/zinc/32/34/16/800323416.db2.gz JDGKTZSJYNTIGL-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150225774 800324531 /nfs/dbraw/zinc/32/45/31/800324531.db2.gz UTFBSURUXPQWJD-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152392540 800516864 /nfs/dbraw/zinc/51/68/64/800516864.db2.gz OXGCIUDSRXPICI-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152551340 800536558 /nfs/dbraw/zinc/53/65/58/800536558.db2.gz OPLGECWHBDYZPV-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152551340 800536562 /nfs/dbraw/zinc/53/65/62/800536562.db2.gz OPLGECWHBDYZPV-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152551340 800536566 /nfs/dbraw/zinc/53/65/66/800536566.db2.gz OPLGECWHBDYZPV-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152551340 800536570 /nfs/dbraw/zinc/53/65/70/800536570.db2.gz OPLGECWHBDYZPV-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC#C ZINC001153891114 800686947 /nfs/dbraw/zinc/68/69/47/800686947.db2.gz MBURNLHYRFWQTG-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001153891114 800686955 /nfs/dbraw/zinc/68/69/55/800686955.db2.gz MBURNLHYRFWQTG-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001153891114 800686959 /nfs/dbraw/zinc/68/69/59/800686959.db2.gz MBURNLHYRFWQTG-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001153891114 800686962 /nfs/dbraw/zinc/68/69/62/800686962.db2.gz MBURNLHYRFWQTG-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890463 801254227 /nfs/dbraw/zinc/25/42/27/801254227.db2.gz LWZGGDXYPXNHRY-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890463 801254233 /nfs/dbraw/zinc/25/42/33/801254233.db2.gz LWZGGDXYPXNHRY-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890463 801254235 /nfs/dbraw/zinc/25/42/35/801254235.db2.gz LWZGGDXYPXNHRY-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001159925746 801890234 /nfs/dbraw/zinc/89/02/34/801890234.db2.gz TVMMWBJOVYPKOM-CYBMUJFWSA-N 2 1 274.368 0.880 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCF ZINC001160198127 801917972 /nfs/dbraw/zinc/91/79/72/801917972.db2.gz SVGQRCICESJWLD-ZDUSSCGKSA-N 2 1 269.364 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCF ZINC001160198127 801917976 /nfs/dbraw/zinc/91/79/76/801917976.db2.gz SVGQRCICESJWLD-ZDUSSCGKSA-N 2 1 269.364 0.540 20 30 CCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160850555 802031250 /nfs/dbraw/zinc/03/12/50/802031250.db2.gz BJQFSTURSPIMAI-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160850555 802031252 /nfs/dbraw/zinc/03/12/52/802031252.db2.gz BJQFSTURSPIMAI-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203576284 803035672 /nfs/dbraw/zinc/03/56/72/803035672.db2.gz BTBUNIVKQGHHOU-ZIAGYGMSSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204883505 803108917 /nfs/dbraw/zinc/10/89/17/803108917.db2.gz RMWDDXHORKOMFM-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204883505 803108921 /nfs/dbraw/zinc/10/89/21/803108921.db2.gz RMWDDXHORKOMFM-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCN(CC[N@H+]1CCCC[C@@](O)(C[NH3+])C1)C(=O)OCC ZINC001205664094 803153190 /nfs/dbraw/zinc/15/31/90/803153190.db2.gz LKWDWBSAZIFOGR-OAHLLOKOSA-N 2 1 299.415 0.807 20 30 CCEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207735085 803443817 /nfs/dbraw/zinc/44/38/17/803443817.db2.gz VNNMXWBVKLIWNS-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207735085 803443818 /nfs/dbraw/zinc/44/38/18/803443818.db2.gz VNNMXWBVKLIWNS-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342118 803690657 /nfs/dbraw/zinc/69/06/57/803690657.db2.gz HRBOVMXFWIDRKE-ZIAGYGMSSA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342118 803690660 /nfs/dbraw/zinc/69/06/60/803690660.db2.gz HRBOVMXFWIDRKE-ZIAGYGMSSA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346235 803691912 /nfs/dbraw/zinc/69/19/12/803691912.db2.gz DHSKMFKSUCSTPJ-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346235 803691918 /nfs/dbraw/zinc/69/19/18/803691918.db2.gz DHSKMFKSUCSTPJ-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938636 803829189 /nfs/dbraw/zinc/82/91/89/803829189.db2.gz IAQIBCXZNGCXID-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C ZINC001216584885 803847296 /nfs/dbraw/zinc/84/72/96/803847296.db2.gz OHVIMWMJLGPDCL-INMHGKMJSA-N 2 1 289.423 0.932 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804399 804426342 /nfs/dbraw/zinc/42/63/42/804426342.db2.gz UWMFGHYYVHUOTN-HZSPNIEDSA-N 2 1 281.400 0.064 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804399 804426344 /nfs/dbraw/zinc/42/63/44/804426344.db2.gz UWMFGHYYVHUOTN-HZSPNIEDSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001219879155 804437808 /nfs/dbraw/zinc/43/78/08/804437808.db2.gz DCKRAWDNGXGZJT-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001219879155 804437810 /nfs/dbraw/zinc/43/78/10/804437810.db2.gz DCKRAWDNGXGZJT-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879155 804437814 /nfs/dbraw/zinc/43/78/14/804437814.db2.gz DCKRAWDNGXGZJT-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879155 804437817 /nfs/dbraw/zinc/43/78/17/804437817.db2.gz DCKRAWDNGXGZJT-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220010949 804471133 /nfs/dbraw/zinc/47/11/33/804471133.db2.gz JDLAVCSBTBQIAS-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220010949 804471135 /nfs/dbraw/zinc/47/11/35/804471135.db2.gz JDLAVCSBTBQIAS-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001221406788 804798383 /nfs/dbraw/zinc/79/83/83/804798383.db2.gz IKLIORMLIFHRGY-OBJOEFQTSA-N 2 1 251.374 0.572 20 30 CCEDMP C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001272172226 815036971 /nfs/dbraw/zinc/03/69/71/815036971.db2.gz MBYNPFVBCCZWDL-ZDUSSCGKSA-N 2 1 253.390 0.904 20 30 CCEDMP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001272172226 815036977 /nfs/dbraw/zinc/03/69/77/815036977.db2.gz MBYNPFVBCCZWDL-ZDUSSCGKSA-N 2 1 253.390 0.904 20 30 CCEDMP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001272172226 815036983 /nfs/dbraw/zinc/03/69/83/815036983.db2.gz MBYNPFVBCCZWDL-ZDUSSCGKSA-N 2 1 253.390 0.904 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791468 804845024 /nfs/dbraw/zinc/84/50/24/804845024.db2.gz MTIOABCSCNRXLA-HUUCEWRRSA-N 2 1 295.427 0.673 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223706059 804986967 /nfs/dbraw/zinc/98/69/67/804986967.db2.gz JYPNGBSKVPYNRG-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001225228641 805114709 /nfs/dbraw/zinc/11/47/09/805114709.db2.gz SHWNFZDQXRTLJU-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001075942197 815070526 /nfs/dbraw/zinc/07/05/26/815070526.db2.gz ZMSFEAUIPYROHT-RRFJBIMHSA-N 2 1 277.412 0.883 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)COCC ZINC001246005610 807112923 /nfs/dbraw/zinc/11/29/23/807112923.db2.gz ZUDYAOYVJNKXJW-STQMWFEESA-N 2 1 288.388 0.200 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246029271 807125446 /nfs/dbraw/zinc/12/54/46/807125446.db2.gz LMYCLNYTDJQDOB-MELADBBJSA-N 2 1 256.390 0.857 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168320786 815094611 /nfs/dbraw/zinc/09/46/11/815094611.db2.gz PELZVGJGZMYOSK-UHFFFAOYSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC2(C[NH2+]C2)C1 ZINC001246305083 807215595 /nfs/dbraw/zinc/21/55/95/807215595.db2.gz GPXCORMRRNAXET-KBPBESRZSA-N 3 1 295.427 0.945 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466093 815108028 /nfs/dbraw/zinc/10/80/28/815108028.db2.gz FXSRTOGWNZZKLD-KFWWJZLASA-N 2 1 293.411 0.066 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001088750446 815129015 /nfs/dbraw/zinc/12/90/15/815129015.db2.gz NOTOOVGJAFDWGA-KGLIPLIRSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001088750446 815129017 /nfs/dbraw/zinc/12/90/17/815129017.db2.gz NOTOOVGJAFDWGA-KGLIPLIRSA-N 2 1 274.368 0.794 20 30 CCEDMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NCC#CC[NH+](C)C ZINC001251708617 807697169 /nfs/dbraw/zinc/69/71/69/807697169.db2.gz URZNOFYRYXRGHI-HNNXBMFYSA-N 2 1 294.443 0.923 20 30 CCEDMP [NH2+]=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC001252945101 807988782 /nfs/dbraw/zinc/98/87/82/807988782.db2.gz XSKAMMIUHSPWEJ-MRXNPFEDSA-N 2 1 299.378 0.752 20 30 CCEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC001254677156 808273555 /nfs/dbraw/zinc/27/35/55/808273555.db2.gz QIRJRLXXNUGDIM-MJBXVCDLSA-N 2 1 278.400 0.821 20 30 CCEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC001254677156 808273559 /nfs/dbraw/zinc/27/35/59/808273559.db2.gz QIRJRLXXNUGDIM-MJBXVCDLSA-N 2 1 278.400 0.821 20 30 CCEDMP N#Cc1ncn(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC001261177558 808920551 /nfs/dbraw/zinc/92/05/51/808920551.db2.gz WRURSSNPTIVBGO-VXGBXAGGSA-N 2 1 260.345 0.366 20 30 CCEDMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001261458536 808981211 /nfs/dbraw/zinc/98/12/11/808981211.db2.gz BUESEZPPYZDJCZ-STQMWFEESA-N 2 1 266.389 0.808 20 30 CCEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)CN1CC[NH+](C)CC1 ZINC001261458525 808983617 /nfs/dbraw/zinc/98/36/17/808983617.db2.gz BRDHCTTWKXCYSV-KGLIPLIRSA-N 2 1 295.431 0.007 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242999 815267085 /nfs/dbraw/zinc/26/70/85/815267085.db2.gz ZDNKPGRZIUJCPO-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242999 815267090 /nfs/dbraw/zinc/26/70/90/815267090.db2.gz ZDNKPGRZIUJCPO-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242999 815267092 /nfs/dbraw/zinc/26/70/92/815267092.db2.gz ZDNKPGRZIUJCPO-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C#CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001263318699 809508958 /nfs/dbraw/zinc/50/89/58/809508958.db2.gz RTKIKOVROYCUNR-ZNMIVQPWSA-N 2 1 275.396 0.446 20 30 CCEDMP C#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264042098 809625079 /nfs/dbraw/zinc/62/50/79/809625079.db2.gz OZQNRABVVFWFRM-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264042098 809625082 /nfs/dbraw/zinc/62/50/82/809625082.db2.gz OZQNRABVVFWFRM-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264096843 809629358 /nfs/dbraw/zinc/62/93/58/809629358.db2.gz UJXDGCCEJWOHHM-KGLIPLIRSA-N 2 1 265.401 0.904 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265224592 809727781 /nfs/dbraw/zinc/72/77/81/809727781.db2.gz GMTJDISLJBBLRC-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001265317270 809756589 /nfs/dbraw/zinc/75/65/89/809756589.db2.gz MHFKRJBISVJVQE-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001265378406 809767659 /nfs/dbraw/zinc/76/76/59/809767659.db2.gz LBQDMNDHXJXXFL-HIFRSBDPSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001265812883 809859977 /nfs/dbraw/zinc/85/99/77/809859977.db2.gz GHFQQKKRTULSJA-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266005165 809916367 /nfs/dbraw/zinc/91/63/67/809916367.db2.gz SFSVEURDVWDFAR-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266120436 809938809 /nfs/dbraw/zinc/93/88/09/809938809.db2.gz ZCGKAEBWQVMHER-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266120436 809938816 /nfs/dbraw/zinc/93/88/16/809938816.db2.gz ZCGKAEBWQVMHER-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266120436 809938820 /nfs/dbraw/zinc/93/88/20/809938820.db2.gz ZCGKAEBWQVMHER-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076812771 815383234 /nfs/dbraw/zinc/38/32/34/815383234.db2.gz SYDCHIAAOVCPDO-HZSPNIEDSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076812771 815383240 /nfs/dbraw/zinc/38/32/40/815383240.db2.gz SYDCHIAAOVCPDO-HZSPNIEDSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076812771 815383247 /nfs/dbraw/zinc/38/32/47/815383247.db2.gz SYDCHIAAOVCPDO-HZSPNIEDSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076812771 815383254 /nfs/dbraw/zinc/38/32/54/815383254.db2.gz SYDCHIAAOVCPDO-HZSPNIEDSA-N 2 1 281.400 0.208 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001038269866 811120041 /nfs/dbraw/zinc/12/00/41/811120041.db2.gz SNEOVKKGPHTFOT-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001038269866 811120044 /nfs/dbraw/zinc/12/00/44/811120044.db2.gz SNEOVKKGPHTFOT-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001038269866 811120049 /nfs/dbraw/zinc/12/00/49/811120049.db2.gz SNEOVKKGPHTFOT-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001267483712 811367853 /nfs/dbraw/zinc/36/78/53/811367853.db2.gz CQPMTZZRTTVDNH-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267558603 811443256 /nfs/dbraw/zinc/44/32/56/811443256.db2.gz CMVRZJJEODCIAY-ZBFHGGJFSA-N 2 1 289.423 0.790 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC001220062297 811714845 /nfs/dbraw/zinc/71/48/45/811714845.db2.gz UGOSHGQOUBYKKX-OCCSQVGLSA-N 2 1 251.374 0.718 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001027893501 812125843 /nfs/dbraw/zinc/12/58/43/812125843.db2.gz XYVLOVGWXVLQSR-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027893501 812125846 /nfs/dbraw/zinc/12/58/46/812125846.db2.gz XYVLOVGWXVLQSR-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027893501 812125851 /nfs/dbraw/zinc/12/58/51/812125851.db2.gz XYVLOVGWXVLQSR-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027997702 812206069 /nfs/dbraw/zinc/20/60/69/812206069.db2.gz QYVPQDAYDGQXHY-CQSZACIVSA-N 2 1 275.396 0.829 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027997702 812206073 /nfs/dbraw/zinc/20/60/73/812206073.db2.gz QYVPQDAYDGQXHY-CQSZACIVSA-N 2 1 275.396 0.829 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001268334560 812496110 /nfs/dbraw/zinc/49/61/10/812496110.db2.gz FFIAWVFHTZISIL-CYBMUJFWSA-N 2 1 280.372 0.224 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001028447197 812709783 /nfs/dbraw/zinc/70/97/83/812709783.db2.gz NMJWBQMLHHZPKS-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447197 812709786 /nfs/dbraw/zinc/70/97/86/812709786.db2.gz NMJWBQMLHHZPKS-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447197 812709796 /nfs/dbraw/zinc/70/97/96/812709796.db2.gz NMJWBQMLHHZPKS-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028464880 812732929 /nfs/dbraw/zinc/73/29/29/812732929.db2.gz GRQQCCNIZXPSTQ-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028464880 812732933 /nfs/dbraw/zinc/73/29/33/812732933.db2.gz GRQQCCNIZXPSTQ-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028464880 812732937 /nfs/dbraw/zinc/73/29/37/812732937.db2.gz GRQQCCNIZXPSTQ-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028464880 812732942 /nfs/dbraw/zinc/73/29/42/812732942.db2.gz GRQQCCNIZXPSTQ-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028930546 813669834 /nfs/dbraw/zinc/66/98/34/813669834.db2.gz YWNAZYFHFZTZIU-ZDUSSCGKSA-N 2 1 263.385 0.706 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028929506 813669981 /nfs/dbraw/zinc/66/99/81/813669981.db2.gz GUXLYFGRUZBZOD-CYBMUJFWSA-N 2 1 261.369 0.154 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028983227 813722837 /nfs/dbraw/zinc/72/28/37/813722837.db2.gz ARSYLZAOCFTCQY-KGLIPLIRSA-N 2 1 263.385 0.400 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028983227 813722839 /nfs/dbraw/zinc/72/28/39/813722839.db2.gz ARSYLZAOCFTCQY-KGLIPLIRSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001029002908 813744860 /nfs/dbraw/zinc/74/48/60/813744860.db2.gz DKTRPTFLHPMOHX-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001029002908 813744863 /nfs/dbraw/zinc/74/48/63/813744863.db2.gz DKTRPTFLHPMOHX-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001029002908 813744867 /nfs/dbraw/zinc/74/48/67/813744867.db2.gz DKTRPTFLHPMOHX-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1CC ZINC001087827881 814226560 /nfs/dbraw/zinc/22/65/60/814226560.db2.gz ONLSYFKHUAHAGR-UONOGXRCSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1CC ZINC001087827881 814226565 /nfs/dbraw/zinc/22/65/65/814226565.db2.gz ONLSYFKHUAHAGR-UONOGXRCSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001271459954 814454275 /nfs/dbraw/zinc/45/42/75/814454275.db2.gz XKBPWIMICWJXPU-ZIAGYGMSSA-N 2 1 265.401 0.786 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001030705057 816239603 /nfs/dbraw/zinc/23/96/03/816239603.db2.gz LZIJPPSEYVKVBX-UGWHAMFMSA-N 2 1 291.395 0.226 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705057 816239609 /nfs/dbraw/zinc/23/96/09/816239609.db2.gz LZIJPPSEYVKVBX-UGWHAMFMSA-N 2 1 291.395 0.226 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257367 816493812 /nfs/dbraw/zinc/49/38/12/816493812.db2.gz XWXMVRKKKFOQLK-LSDHHAIUSA-N 2 1 295.427 0.769 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235354185 816865852 /nfs/dbraw/zinc/86/58/52/816865852.db2.gz KPVLAZPSDVDRCA-GJZGRUSLSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC2)C1 ZINC001031741205 817305094 /nfs/dbraw/zinc/30/50/94/817305094.db2.gz SEIRZQRLNVBOKJ-HNNXBMFYSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC2)C1 ZINC001031741205 817305101 /nfs/dbraw/zinc/30/51/01/817305101.db2.gz SEIRZQRLNVBOKJ-HNNXBMFYSA-N 2 1 275.396 0.542 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031975931 817513018 /nfs/dbraw/zinc/51/30/18/817513018.db2.gz BSISFZWKBABFDA-TZMCWYRMSA-N 2 1 263.385 0.255 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031975931 817513026 /nfs/dbraw/zinc/51/30/26/817513026.db2.gz BSISFZWKBABFDA-TZMCWYRMSA-N 2 1 263.385 0.255 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785562 817867436 /nfs/dbraw/zinc/86/74/36/817867436.db2.gz NAPKZIBIXBKNDD-STQMWFEESA-N 2 1 267.373 0.132 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034207685 819124390 /nfs/dbraw/zinc/12/43/90/819124390.db2.gz NOWQYNCKQMFXJP-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001034798395 819333480 /nfs/dbraw/zinc/33/34/80/819333480.db2.gz FQSJLAPTEKCYGY-KKUMJFAQSA-N 2 1 295.427 0.910 20 30 CCEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001034798395 819333487 /nfs/dbraw/zinc/33/34/87/819333487.db2.gz FQSJLAPTEKCYGY-KKUMJFAQSA-N 2 1 295.427 0.910 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035580066 819576186 /nfs/dbraw/zinc/57/61/86/819576186.db2.gz PPRPUCBOWOBGRR-AWEZNQCLSA-N 2 1 293.411 0.475 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035580066 819576188 /nfs/dbraw/zinc/57/61/88/819576188.db2.gz PPRPUCBOWOBGRR-AWEZNQCLSA-N 2 1 293.411 0.475 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001036292790 819720055 /nfs/dbraw/zinc/72/00/55/819720055.db2.gz FUAVKLTYZGEEFF-JSGCOSHPSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080779605 820637097 /nfs/dbraw/zinc/63/70/97/820637097.db2.gz UNJZVEGXYDEAFD-HZSPNIEDSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001080779605 820637104 /nfs/dbraw/zinc/63/71/04/820637104.db2.gz UNJZVEGXYDEAFD-HZSPNIEDSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080779605 820637108 /nfs/dbraw/zinc/63/71/08/820637108.db2.gz UNJZVEGXYDEAFD-HZSPNIEDSA-N 2 1 263.385 0.398 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369056 820948214 /nfs/dbraw/zinc/94/82/14/820948214.db2.gz WREUDCVQYFVCCW-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082369056 820948218 /nfs/dbraw/zinc/94/82/18/820948218.db2.gz WREUDCVQYFVCCW-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082369056 820948220 /nfs/dbraw/zinc/94/82/20/820948220.db2.gz WREUDCVQYFVCCW-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001082741194 821029656 /nfs/dbraw/zinc/02/96/56/821029656.db2.gz SFAYARBDCCHOQR-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084448754 821290027 /nfs/dbraw/zinc/29/00/27/821290027.db2.gz DRNGENANAKWVFV-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084668543 821343693 /nfs/dbraw/zinc/34/36/93/821343693.db2.gz ZHEPDTQBDOCRPF-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084668543 821343704 /nfs/dbraw/zinc/34/37/04/821343704.db2.gz ZHEPDTQBDOCRPF-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cnc3C)[C@@H]2C1 ZINC001084798911 821394202 /nfs/dbraw/zinc/39/42/02/821394202.db2.gz JDOGTAZZQZKJIC-UKRRQHHQSA-N 2 1 286.379 0.817 20 30 CCEDMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085602618 821846020 /nfs/dbraw/zinc/84/60/20/821846020.db2.gz GQCCQVIKIMFEDL-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001085602618 821846030 /nfs/dbraw/zinc/84/60/30/821846030.db2.gz GQCCQVIKIMFEDL-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001085602618 821846035 /nfs/dbraw/zinc/84/60/35/821846035.db2.gz GQCCQVIKIMFEDL-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001085602618 821846047 /nfs/dbraw/zinc/84/60/47/821846047.db2.gz GQCCQVIKIMFEDL-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001085674447 821892117 /nfs/dbraw/zinc/89/21/17/821892117.db2.gz WHBIWGVHESQZMX-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC001129771171 837558807 /nfs/dbraw/zinc/55/88/07/837558807.db2.gz SLPVHUPGVGSYBC-CABCVRRESA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC001129771171 837558812 /nfs/dbraw/zinc/55/88/12/837558812.db2.gz SLPVHUPGVGSYBC-CABCVRRESA-N 2 1 293.411 0.216 20 30 CCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001108421028 836056899 /nfs/dbraw/zinc/05/68/99/836056899.db2.gz FXBZBJDJAMTSLV-INIZCTEOSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001108421028 836056909 /nfs/dbraw/zinc/05/69/09/836056909.db2.gz FXBZBJDJAMTSLV-INIZCTEOSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108421028 836056923 /nfs/dbraw/zinc/05/69/23/836056923.db2.gz FXBZBJDJAMTSLV-INIZCTEOSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108421028 836056933 /nfs/dbraw/zinc/05/69/33/836056933.db2.gz FXBZBJDJAMTSLV-INIZCTEOSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108792621 836527806 /nfs/dbraw/zinc/52/78/06/836527806.db2.gz XCHXWWAKUGQJDU-ZNMIVQPWSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130647920 837879930 /nfs/dbraw/zinc/87/99/30/837879930.db2.gz DDJGKTQURVCKRD-UHFFFAOYSA-N 2 1 266.345 0.632 20 30 CCEDMP C=C[C@H](O)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001253582330 849555811 /nfs/dbraw/zinc/55/58/11/849555811.db2.gz NWZSQYFMRKBSRZ-LBPRGKRZSA-N 2 1 258.362 0.350 20 30 CCEDMP C=C[C@H](O)C[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001253582330 849555819 /nfs/dbraw/zinc/55/58/19/849555819.db2.gz NWZSQYFMRKBSRZ-LBPRGKRZSA-N 2 1 258.362 0.350 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090674501 839722145 /nfs/dbraw/zinc/72/21/45/839722145.db2.gz WCHGIJLVCWNOHE-HUUCEWRRSA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090811638 839830711 /nfs/dbraw/zinc/83/07/11/839830711.db2.gz CRUBYAKWIRSYLJ-HUUCEWRRSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001147347533 840562089 /nfs/dbraw/zinc/56/20/89/840562089.db2.gz BIDMLUMOBDMZSP-CQSZACIVSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092276618 841005655 /nfs/dbraw/zinc/00/56/55/841005655.db2.gz WXDIEKGBFBNTKI-ZBFHGGJFSA-N 2 1 286.379 0.605 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092276618 841005663 /nfs/dbraw/zinc/00/56/63/841005663.db2.gz WXDIEKGBFBNTKI-ZBFHGGJFSA-N 2 1 286.379 0.605 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725771 841066353 /nfs/dbraw/zinc/06/63/53/841066353.db2.gz ZYTOYIYACUDSGL-KBUPBQIOSA-N 2 1 293.411 0.023 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725771 841066366 /nfs/dbraw/zinc/06/63/66/841066366.db2.gz ZYTOYIYACUDSGL-KBUPBQIOSA-N 2 1 293.411 0.023 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725771 841066380 /nfs/dbraw/zinc/06/63/80/841066380.db2.gz ZYTOYIYACUDSGL-KBUPBQIOSA-N 2 1 293.411 0.023 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725771 841066394 /nfs/dbraw/zinc/06/63/94/841066394.db2.gz ZYTOYIYACUDSGL-KBUPBQIOSA-N 2 1 293.411 0.023 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001186824896 844605671 /nfs/dbraw/zinc/60/56/71/844605671.db2.gz QEGBDHSCPBPVTC-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093211264 841177250 /nfs/dbraw/zinc/17/72/50/841177250.db2.gz BSYUKDKZTWYBMR-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093211264 841177256 /nfs/dbraw/zinc/17/72/56/841177256.db2.gz BSYUKDKZTWYBMR-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093211264 841177260 /nfs/dbraw/zinc/17/72/60/841177260.db2.gz BSYUKDKZTWYBMR-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093211264 841177266 /nfs/dbraw/zinc/17/72/66/841177266.db2.gz BSYUKDKZTWYBMR-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588522 842113821 /nfs/dbraw/zinc/11/38/21/842113821.db2.gz GANZWOQTOXQKRH-XSRFYTQQSA-N 2 1 253.346 0.796 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC001176146525 842325167 /nfs/dbraw/zinc/32/51/67/842325167.db2.gz BWYLGZUDSNQQBU-UHFFFAOYSA-N 2 1 250.346 0.864 20 30 CCEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517259 845154514 /nfs/dbraw/zinc/15/45/14/845154514.db2.gz PBABBRGMNAOXJR-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517259 845154518 /nfs/dbraw/zinc/15/45/18/845154518.db2.gz PBABBRGMNAOXJR-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189517259 845154520 /nfs/dbraw/zinc/15/45/20/845154520.db2.gz PBABBRGMNAOXJR-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189517259 845154526 /nfs/dbraw/zinc/15/45/26/845154526.db2.gz PBABBRGMNAOXJR-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001192355215 845826767 /nfs/dbraw/zinc/82/67/67/845826767.db2.gz PROZHWRHPKEXRW-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192355215 845826775 /nfs/dbraw/zinc/82/67/75/845826775.db2.gz PROZHWRHPKEXRW-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192355215 845826779 /nfs/dbraw/zinc/82/67/79/845826779.db2.gz PROZHWRHPKEXRW-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001192868523 845918329 /nfs/dbraw/zinc/91/83/29/845918329.db2.gz YNDYXJMPEWLFEE-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192868523 845918337 /nfs/dbraw/zinc/91/83/37/845918337.db2.gz YNDYXJMPEWLFEE-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192868523 845918348 /nfs/dbraw/zinc/91/83/48/845918348.db2.gz YNDYXJMPEWLFEE-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570820 846109375 /nfs/dbraw/zinc/10/93/75/846109375.db2.gz OHFAVWNPXKIRIF-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196114909 846691576 /nfs/dbraw/zinc/69/15/76/846691576.db2.gz GNRPHIUMNVUJLZ-MGPQQGTHSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196114909 846691582 /nfs/dbraw/zinc/69/15/82/846691582.db2.gz GNRPHIUMNVUJLZ-MGPQQGTHSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196275436 846722372 /nfs/dbraw/zinc/72/23/72/846722372.db2.gz BNBXRCJOLRSBSS-HZSPNIEDSA-N 2 1 283.416 0.454 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196953536 846824859 /nfs/dbraw/zinc/82/48/59/846824859.db2.gz RQBUJBLGYDQBFH-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001275720719 848800359 /nfs/dbraw/zinc/80/03/59/848800359.db2.gz LRZPIWQCDBSPFG-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001275720719 848800364 /nfs/dbraw/zinc/80/03/64/848800364.db2.gz LRZPIWQCDBSPFG-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001275720719 848800375 /nfs/dbraw/zinc/80/03/75/848800375.db2.gz LRZPIWQCDBSPFG-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001275720719 848800377 /nfs/dbraw/zinc/80/03/77/848800377.db2.gz LRZPIWQCDBSPFG-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001275858923 848850649 /nfs/dbraw/zinc/85/06/49/848850649.db2.gz SERPRIVTUNCNIT-UONOGXRCSA-N 2 1 283.416 0.413 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCCO)CC1 ZINC001276011473 848889772 /nfs/dbraw/zinc/88/97/72/848889772.db2.gz MKDHYRDHELLHPW-AWEZNQCLSA-N 2 1 295.427 0.151 20 30 CCEDMP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001276180537 848952781 /nfs/dbraw/zinc/95/27/81/848952781.db2.gz ZMQJVRNSAYCFKV-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114855535 849440723 /nfs/dbraw/zinc/44/07/23/849440723.db2.gz ZMUPJQURLVMTRY-LJISPDSOSA-N 2 1 295.427 0.576 20 30 CCEDMP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001038271249 849835030 /nfs/dbraw/zinc/83/50/30/849835030.db2.gz CMFWDSRMTSXRRD-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001038271249 849835035 /nfs/dbraw/zinc/83/50/35/849835035.db2.gz CMFWDSRMTSXRRD-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001038271249 849835042 /nfs/dbraw/zinc/83/50/42/849835042.db2.gz CMFWDSRMTSXRRD-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001038271249 849835048 /nfs/dbraw/zinc/83/50/48/849835048.db2.gz CMFWDSRMTSXRRD-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041474358 850452208 /nfs/dbraw/zinc/45/22/08/850452208.db2.gz ASJKNHPACBBPOE-INIZCTEOSA-N 2 1 286.379 0.749 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041474358 850452214 /nfs/dbraw/zinc/45/22/14/850452214.db2.gz ASJKNHPACBBPOE-INIZCTEOSA-N 2 1 286.379 0.749 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042157622 850585284 /nfs/dbraw/zinc/58/52/84/850585284.db2.gz SNJCWTPXQIQGHT-CABCVRRESA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042157622 850585289 /nfs/dbraw/zinc/58/52/89/850585289.db2.gz SNJCWTPXQIQGHT-CABCVRRESA-N 2 1 286.379 0.748 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046322904 851463929 /nfs/dbraw/zinc/46/39/29/851463929.db2.gz DMEDUUYXJBOUKF-RDJZCZTQSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046329097 851466484 /nfs/dbraw/zinc/46/64/84/851466484.db2.gz LIDZDGVREJCHOA-FMKPAKJESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046329097 851466486 /nfs/dbraw/zinc/46/64/86/851466486.db2.gz LIDZDGVREJCHOA-FMKPAKJESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046329097 851466491 /nfs/dbraw/zinc/46/64/91/851466491.db2.gz LIDZDGVREJCHOA-FMKPAKJESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046329098 851466512 /nfs/dbraw/zinc/46/65/12/851466512.db2.gz LIDZDGVREJCHOA-IIAWOOMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046329098 851466516 /nfs/dbraw/zinc/46/65/16/851466516.db2.gz LIDZDGVREJCHOA-IIAWOOMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046329098 851466519 /nfs/dbraw/zinc/46/65/19/851466519.db2.gz LIDZDGVREJCHOA-IIAWOOMASA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046844453 851628796 /nfs/dbraw/zinc/62/87/96/851628796.db2.gz BAVVVQUYANHNFU-GOEBONIOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046844453 851628798 /nfs/dbraw/zinc/62/87/98/851628798.db2.gz BAVVVQUYANHNFU-GOEBONIOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046844453 851628802 /nfs/dbraw/zinc/62/88/02/851628802.db2.gz BAVVVQUYANHNFU-GOEBONIOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046844453 851628808 /nfs/dbraw/zinc/62/88/08/851628808.db2.gz BAVVVQUYANHNFU-GOEBONIOSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C[C@H]2C1 ZINC001048870314 852091386 /nfs/dbraw/zinc/09/13/86/852091386.db2.gz XPQWQBMIPHPDGP-BBWFWOEESA-N 2 1 299.418 0.498 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C[C@H]2C1 ZINC001048870314 852091395 /nfs/dbraw/zinc/09/13/95/852091395.db2.gz XPQWQBMIPHPDGP-BBWFWOEESA-N 2 1 299.418 0.498 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC#C)C[C@H]2C1 ZINC001048870314 852091403 /nfs/dbraw/zinc/09/14/03/852091403.db2.gz XPQWQBMIPHPDGP-BBWFWOEESA-N 2 1 299.418 0.498 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC#C)C[C@H]2C1 ZINC001048870314 852091411 /nfs/dbraw/zinc/09/14/11/852091411.db2.gz XPQWQBMIPHPDGP-BBWFWOEESA-N 2 1 299.418 0.498 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059190 852148619 /nfs/dbraw/zinc/14/86/19/852148619.db2.gz CLVOAUPTCSXQAI-CAOSSQGBSA-N 2 1 289.423 0.598 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059190 852148629 /nfs/dbraw/zinc/14/86/29/852148629.db2.gz CLVOAUPTCSXQAI-CAOSSQGBSA-N 2 1 289.423 0.598 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059190 852148635 /nfs/dbraw/zinc/14/86/35/852148635.db2.gz CLVOAUPTCSXQAI-CAOSSQGBSA-N 2 1 289.423 0.598 20 30 CCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049215069 852196188 /nfs/dbraw/zinc/19/61/88/852196188.db2.gz HZJXJNBGOYIXCK-KFWWJZLASA-N 2 1 277.412 0.904 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049215069 852196192 /nfs/dbraw/zinc/19/61/92/852196192.db2.gz HZJXJNBGOYIXCK-KFWWJZLASA-N 2 1 277.412 0.904 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049215069 852196198 /nfs/dbraw/zinc/19/61/98/852196198.db2.gz HZJXJNBGOYIXCK-KFWWJZLASA-N 2 1 277.412 0.904 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)C[C@H]2C1 ZINC001049235759 852199948 /nfs/dbraw/zinc/19/99/48/852199948.db2.gz UNYYXIKSPYKQEO-CALCHBBNSA-N 2 1 299.418 0.355 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001049889607 852391976 /nfs/dbraw/zinc/39/19/76/852391976.db2.gz HHSJAKZGHURKRD-RBSFLKMASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001049889607 852391981 /nfs/dbraw/zinc/39/19/81/852391981.db2.gz HHSJAKZGHURKRD-RBSFLKMASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001049889607 852391986 /nfs/dbraw/zinc/39/19/86/852391986.db2.gz HHSJAKZGHURKRD-RBSFLKMASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049901414 852393832 /nfs/dbraw/zinc/39/38/32/852393832.db2.gz PCDCMKQYGIWFSD-LSDHHAIUSA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001054833457 853020471 /nfs/dbraw/zinc/02/04/71/853020471.db2.gz JQUSXDYKJASRLT-FZMZJTMJSA-N 2 1 290.367 0.420 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050139738 853322634 /nfs/dbraw/zinc/32/26/34/853322634.db2.gz FQUYWTSTPFBWPI-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050139738 853322638 /nfs/dbraw/zinc/32/26/38/853322638.db2.gz FQUYWTSTPFBWPI-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050139738 853322644 /nfs/dbraw/zinc/32/26/44/853322644.db2.gz FQUYWTSTPFBWPI-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050181208 853332139 /nfs/dbraw/zinc/33/21/39/853332139.db2.gz GBRHIBIUYDGQGF-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050181208 853332147 /nfs/dbraw/zinc/33/21/47/853332147.db2.gz GBRHIBIUYDGQGF-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050181208 853332157 /nfs/dbraw/zinc/33/21/57/853332157.db2.gz GBRHIBIUYDGQGF-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001072978160 854508206 /nfs/dbraw/zinc/50/82/06/854508206.db2.gz GCICNQHRTBMTRJ-UHFFFAOYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001072978160 854508210 /nfs/dbraw/zinc/50/82/10/854508210.db2.gz GCICNQHRTBMTRJ-UHFFFAOYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001072978160 854508212 /nfs/dbraw/zinc/50/82/12/854508212.db2.gz GCICNQHRTBMTRJ-UHFFFAOYSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001074829792 854790212 /nfs/dbraw/zinc/79/02/12/854790212.db2.gz PPZRMACOYPMSNW-SOUVJXGZSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001074829792 854790221 /nfs/dbraw/zinc/79/02/21/854790221.db2.gz PPZRMACOYPMSNW-SOUVJXGZSA-N 2 1 295.427 0.861 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099878942 855016239 /nfs/dbraw/zinc/01/62/39/855016239.db2.gz BVDMYUCWCKUIQO-HUUCEWRRSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099878942 855016246 /nfs/dbraw/zinc/01/62/46/855016246.db2.gz BVDMYUCWCKUIQO-HUUCEWRRSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099878942 855016253 /nfs/dbraw/zinc/01/62/53/855016253.db2.gz BVDMYUCWCKUIQO-HUUCEWRRSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099875068 855017211 /nfs/dbraw/zinc/01/72/11/855017211.db2.gz VDHOBNZCPYUGQQ-KBPBESRZSA-N 2 1 293.411 0.045 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099898582 855023181 /nfs/dbraw/zinc/02/31/81/855023181.db2.gz DQYBJHDEEWQCRA-KGLIPLIRSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898582 855023192 /nfs/dbraw/zinc/02/31/92/855023192.db2.gz DQYBJHDEEWQCRA-KGLIPLIRSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898582 855023204 /nfs/dbraw/zinc/02/32/04/855023204.db2.gz DQYBJHDEEWQCRA-KGLIPLIRSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100041395 855079970 /nfs/dbraw/zinc/07/99/70/855079970.db2.gz IUZWFGXHKFICSD-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081614 855095119 /nfs/dbraw/zinc/09/51/19/855095119.db2.gz VNDLIOMGIAQNJR-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132191 855104790 /nfs/dbraw/zinc/10/47/90/855104790.db2.gz POJNWSNNBGQTFD-KBPBESRZSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132191 855104792 /nfs/dbraw/zinc/10/47/92/855104792.db2.gz POJNWSNNBGQTFD-KBPBESRZSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132191 855104793 /nfs/dbraw/zinc/10/47/93/855104793.db2.gz POJNWSNNBGQTFD-KBPBESRZSA-N 2 1 283.416 0.454 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001100409849 855163651 /nfs/dbraw/zinc/16/36/51/855163651.db2.gz NGHMRZVFOHJXIP-UHFFFAOYSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100981002 855251713 /nfs/dbraw/zinc/25/17/13/855251713.db2.gz QFOAJAUMRGLDJM-SLTAFYQDSA-N 2 1 295.427 0.625 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015486 855408441 /nfs/dbraw/zinc/40/84/41/855408441.db2.gz HTKATRRCTNNLPH-RBSFLKMASA-N 2 1 297.418 0.984 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115161648 855648943 /nfs/dbraw/zinc/64/89/43/855648943.db2.gz JOLSNKDOHABIBT-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCC ZINC001115161648 855648937 /nfs/dbraw/zinc/64/89/37/855648937.db2.gz JOLSNKDOHABIBT-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115161648 855648940 /nfs/dbraw/zinc/64/89/40/855648940.db2.gz JOLSNKDOHABIBT-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115249774 855655630 /nfs/dbraw/zinc/65/56/30/855655630.db2.gz MJIYSKQBXZLCLN-QLPKVWCKSA-N 2 1 289.423 0.932 20 30 CCEDMP CC[N@H+]1CCC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC001118507325 856322303 /nfs/dbraw/zinc/32/23/03/856322303.db2.gz WNHMPNCGSIBABK-OAHLLOKOSA-N 2 1 277.412 0.838 20 30 CCEDMP C#CC[N@@H+](C[C@@H](O)CC)C1CCN(C[C@H](O)CC)CC1 ZINC001119267376 856605808 /nfs/dbraw/zinc/60/58/08/856605808.db2.gz XXPSESPDWQDFNZ-CVEARBPZSA-N 2 1 282.428 0.928 20 30 CCEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CCO)CC1 ZINC001324439409 912844881 /nfs/dbraw/zinc/84/48/81/912844881.db2.gz HXOGPFICMGEMMH-UHFFFAOYSA-N 2 1 295.427 0.247 20 30 CCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001324642485 912962116 /nfs/dbraw/zinc/96/21/16/912962116.db2.gz WRALNAPDPKIGGS-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001394622331 913319392 /nfs/dbraw/zinc/31/93/92/913319392.db2.gz ULGPBWSPIABARH-WDEREUQCSA-N 2 1 277.796 0.146 20 30 CCEDMP C#CCC[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001481016144 892059654 /nfs/dbraw/zinc/05/96/54/892059654.db2.gz CRAUAGGFBLIEMY-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001481016144 892059674 /nfs/dbraw/zinc/05/96/74/892059674.db2.gz CRAUAGGFBLIEMY-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481016144 892059694 /nfs/dbraw/zinc/05/96/94/892059694.db2.gz CRAUAGGFBLIEMY-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](C)OC ZINC001481241415 892418729 /nfs/dbraw/zinc/41/87/29/892418729.db2.gz XRMFVHPFVCHEHD-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](C)OC ZINC001481241415 892418733 /nfs/dbraw/zinc/41/87/33/892418733.db2.gz XRMFVHPFVCHEHD-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001283797102 892420406 /nfs/dbraw/zinc/42/04/06/892420406.db2.gz LZHNYWIIUFKNDJ-LSDHHAIUSA-N 2 1 297.443 0.751 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481708403 893060308 /nfs/dbraw/zinc/06/03/08/893060308.db2.gz LGGJEGHCTWILKO-CHWSQXEVSA-N 2 1 253.390 0.949 20 30 CCEDMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001481798754 893163489 /nfs/dbraw/zinc/16/34/89/893163489.db2.gz UJJDQYAWGJWYRU-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001481798754 893163496 /nfs/dbraw/zinc/16/34/96/893163496.db2.gz UJJDQYAWGJWYRU-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001482109202 893398114 /nfs/dbraw/zinc/39/81/14/893398114.db2.gz AWSJBSMJAGSCQV-KBPBESRZSA-N 2 1 261.369 0.059 20 30 CCEDMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001482109202 893398134 /nfs/dbraw/zinc/39/81/34/893398134.db2.gz AWSJBSMJAGSCQV-KBPBESRZSA-N 2 1 261.369 0.059 20 30 CCEDMP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482168429 893455361 /nfs/dbraw/zinc/45/53/61/893455361.db2.gz NIBGYFHWQMNNMX-QWHCGFSZSA-N 2 1 253.390 0.856 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482284318 893771267 /nfs/dbraw/zinc/77/12/67/893771267.db2.gz MUTLUGBWMGSLGS-ZIAGYGMSSA-N 2 1 265.401 0.929 20 30 CCEDMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482819319 894623070 /nfs/dbraw/zinc/62/30/70/894623070.db2.gz DIZDUMOEAIHTIC-QWHCGFSZSA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482819319 894623074 /nfs/dbraw/zinc/62/30/74/894623074.db2.gz DIZDUMOEAIHTIC-QWHCGFSZSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507503838 895625719 /nfs/dbraw/zinc/62/57/19/895625719.db2.gz JULCYBHOQXIWTG-KGLIPLIRSA-N 2 1 283.416 0.313 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483700540 895879855 /nfs/dbraw/zinc/87/98/55/895879855.db2.gz CNDUDLQRCHCUQY-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001483700540 895879862 /nfs/dbraw/zinc/87/98/62/895879862.db2.gz CNDUDLQRCHCUQY-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001483700540 895879871 /nfs/dbraw/zinc/87/98/71/895879871.db2.gz CNDUDLQRCHCUQY-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001483795587 896058389 /nfs/dbraw/zinc/05/83/89/896058389.db2.gz XWHJPLWAWUVLKR-ZDUSSCGKSA-N 2 1 263.385 0.732 20 30 CCEDMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001484155491 896211603 /nfs/dbraw/zinc/21/16/03/896211603.db2.gz VMZRBHWJSHXPOJ-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001484155491 896211618 /nfs/dbraw/zinc/21/16/18/896211618.db2.gz VMZRBHWJSHXPOJ-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001484155491 896211629 /nfs/dbraw/zinc/21/16/29/896211629.db2.gz VMZRBHWJSHXPOJ-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001484155491 896211639 /nfs/dbraw/zinc/21/16/39/896211639.db2.gz VMZRBHWJSHXPOJ-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001484291437 896328434 /nfs/dbraw/zinc/32/84/34/896328434.db2.gz RIHZXRTUXYAMDT-UHFFFAOYSA-N 2 1 283.416 0.457 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001484415367 896386073 /nfs/dbraw/zinc/38/60/73/896386073.db2.gz ZEOABGONWKTPEX-OKILXGFUSA-N 2 1 263.385 0.350 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001484415367 896386090 /nfs/dbraw/zinc/38/60/90/896386090.db2.gz ZEOABGONWKTPEX-OKILXGFUSA-N 2 1 263.385 0.350 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001484415367 896386106 /nfs/dbraw/zinc/38/61/06/896386106.db2.gz ZEOABGONWKTPEX-OKILXGFUSA-N 2 1 263.385 0.350 20 30 CCEDMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001484551594 896468030 /nfs/dbraw/zinc/46/80/30/896468030.db2.gz MGSMHTQMQQKYAH-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001484551594 896468036 /nfs/dbraw/zinc/46/80/36/896468036.db2.gz MGSMHTQMQQKYAH-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001485064391 896741482 /nfs/dbraw/zinc/74/14/82/896741482.db2.gz FCWVUIPPHMTGDD-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001485064391 896741493 /nfs/dbraw/zinc/74/14/93/896741493.db2.gz FCWVUIPPHMTGDD-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485464372 897054556 /nfs/dbraw/zinc/05/45/56/897054556.db2.gz VDVKNPGRBTUCNO-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485464372 897054573 /nfs/dbraw/zinc/05/45/73/897054573.db2.gz VDVKNPGRBTUCNO-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410448 897889106 /nfs/dbraw/zinc/88/91/06/897889106.db2.gz RTPCOSISPXUIOH-KFWWJZLASA-N 2 1 295.427 0.718 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410448 897889108 /nfs/dbraw/zinc/88/91/08/897889108.db2.gz RTPCOSISPXUIOH-KFWWJZLASA-N 2 1 295.427 0.718 20 30 CCEDMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC#CCOC)CCC1 ZINC001326910755 914265004 /nfs/dbraw/zinc/26/50/04/914265004.db2.gz ITOYWAJGDFVUGF-UHFFFAOYSA-N 2 1 295.427 0.607 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001486217486 898715733 /nfs/dbraw/zinc/71/57/33/898715733.db2.gz YMSYJDYORGUOJC-HUUCEWRRSA-N 2 1 293.411 0.216 20 30 CCEDMP CC#CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CCOC ZINC001486431257 898870456 /nfs/dbraw/zinc/87/04/56/898870456.db2.gz GAMZEJLFBCIHJA-UHFFFAOYSA-N 2 1 295.427 0.416 20 30 CCEDMP CC#CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CCOC ZINC001486431257 898870474 /nfs/dbraw/zinc/87/04/74/898870474.db2.gz GAMZEJLFBCIHJA-UHFFFAOYSA-N 2 1 295.427 0.416 20 30 CCEDMP C#CC[NH2+]CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001317627653 900737555 /nfs/dbraw/zinc/73/75/55/900737555.db2.gz VMZLCOJIEUZSQI-ZDUSSCGKSA-N 2 1 274.368 0.435 20 30 CCEDMP CN1CC[NH+](CCCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001326829322 901936109 /nfs/dbraw/zinc/93/61/09/901936109.db2.gz OUOBRUDERFYLEB-CQSZACIVSA-N 2 1 295.431 0.151 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064162 903832550 /nfs/dbraw/zinc/83/25/50/903832550.db2.gz JIUOSLONNZWFGR-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001280620136 904128841 /nfs/dbraw/zinc/12/88/41/904128841.db2.gz KPKXWPAABUENRU-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001282002812 904386542 /nfs/dbraw/zinc/38/65/42/904386542.db2.gz QBFRUNKHWWYYIZ-YMAMQOFZSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001282014985 904389539 /nfs/dbraw/zinc/38/95/39/904389539.db2.gz ROLVMSINTKOWNW-GPANFISMSA-N 2 1 287.407 0.592 20 30 CCEDMP C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001282014985 904389556 /nfs/dbraw/zinc/38/95/56/904389556.db2.gz ROLVMSINTKOWNW-GPANFISMSA-N 2 1 287.407 0.592 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#CCOC ZINC001282215201 904435329 /nfs/dbraw/zinc/43/53/29/904435329.db2.gz QQQGLAYPFYEJKI-KGLIPLIRSA-N 2 1 283.416 0.461 20 30 CCEDMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001283051737 904683100 /nfs/dbraw/zinc/68/31/00/904683100.db2.gz ROLVMSINTKOWNW-JYJNAYRXSA-N 2 1 287.407 0.592 20 30 CCEDMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001283051737 904683111 /nfs/dbraw/zinc/68/31/11/904683111.db2.gz ROLVMSINTKOWNW-JYJNAYRXSA-N 2 1 287.407 0.592 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001284448737 905299478 /nfs/dbraw/zinc/29/94/78/905299478.db2.gz SENLLCFNAPOWEO-CABCVRRESA-N 2 1 297.443 0.703 20 30 CCEDMP C#CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCOC ZINC001284655600 905408993 /nfs/dbraw/zinc/40/89/93/905408993.db2.gz JUESPZMRFFSVCW-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCOC ZINC001284655600 905409003 /nfs/dbraw/zinc/40/90/03/905409003.db2.gz JUESPZMRFFSVCW-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCOC ZINC001284655600 905409015 /nfs/dbraw/zinc/40/90/15/905409015.db2.gz JUESPZMRFFSVCW-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C(C)(C)C ZINC001284654372 905409640 /nfs/dbraw/zinc/40/96/40/905409640.db2.gz YSDYIQQHODHHIO-CYBMUJFWSA-N 2 1 276.384 0.945 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001379412928 906218232 /nfs/dbraw/zinc/21/82/32/906218232.db2.gz QRRFMCBAZYLSQC-LLVKDONJSA-N 2 1 289.807 0.290 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001491845902 907604627 /nfs/dbraw/zinc/60/46/27/907604627.db2.gz QCPQSOBXPAUSOU-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001491850676 907605617 /nfs/dbraw/zinc/60/56/17/907605617.db2.gz WOCYJLAUTFEBKG-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001492442383 907906978 /nfs/dbraw/zinc/90/69/78/907906978.db2.gz YHSNAAJCWWQMRL-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001492442383 907906992 /nfs/dbraw/zinc/90/69/92/907906992.db2.gz YHSNAAJCWWQMRL-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=C(C)C[N@H+](C)CCCNC(=O)CC[NH+]1CCOCC1 ZINC001316856935 908302029 /nfs/dbraw/zinc/30/20/29/908302029.db2.gz NHHCYMODQNDRCR-UHFFFAOYSA-N 2 1 283.416 0.723 20 30 CCEDMP C=C(C)C[N@@H+](C)CCCNC(=O)CC[NH+]1CCOCC1 ZINC001316856935 908302036 /nfs/dbraw/zinc/30/20/36/908302036.db2.gz NHHCYMODQNDRCR-UHFFFAOYSA-N 2 1 283.416 0.723 20 30 CCEDMP C#CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001316927556 908848328 /nfs/dbraw/zinc/84/83/28/908848328.db2.gz WFQXVRSCEHRFJS-UHFFFAOYSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC=C)C1 ZINC001317083289 908969807 /nfs/dbraw/zinc/96/98/07/908969807.db2.gz ZULDFTUUHKYXAV-KKUMJFAQSA-N 2 1 275.396 0.897 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC=C)C1 ZINC001317083289 908969816 /nfs/dbraw/zinc/96/98/16/908969816.db2.gz ZULDFTUUHKYXAV-KKUMJFAQSA-N 2 1 275.396 0.897 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001317503414 909275384 /nfs/dbraw/zinc/27/53/84/909275384.db2.gz YNLBHTLSERXNAU-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001319259933 910060559 /nfs/dbraw/zinc/06/05/59/910060559.db2.gz BTZAEDLLJJEDEI-ZDUSSCGKSA-N 2 1 253.390 0.693 20 30 CCEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC001319342876 910105802 /nfs/dbraw/zinc/10/58/02/910105802.db2.gz RVYSQLQZTWHJQC-CQSZACIVSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001319342876 910105815 /nfs/dbraw/zinc/10/58/15/910105815.db2.gz RVYSQLQZTWHJQC-CQSZACIVSA-N 2 1 293.411 0.359 20 30 CCEDMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001319484677 910172085 /nfs/dbraw/zinc/17/20/85/910172085.db2.gz AWXYKCLWUFXEQL-LLVKDONJSA-N 2 1 280.372 0.972 20 30 CCEDMP C=CCO[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC001320038717 910426651 /nfs/dbraw/zinc/42/66/51/910426651.db2.gz UZTXJENIFOQXLR-KBPBESRZSA-N 2 1 254.374 0.720 20 30 CCEDMP C=CCO[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC001320038717 910426668 /nfs/dbraw/zinc/42/66/68/910426668.db2.gz UZTXJENIFOQXLR-KBPBESRZSA-N 2 1 254.374 0.720 20 30 CCEDMP C#CCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001492878344 914980335 /nfs/dbraw/zinc/98/03/35/914980335.db2.gz INBHKBUHBDWAAG-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001492878344 914980344 /nfs/dbraw/zinc/98/03/44/914980344.db2.gz INBHKBUHBDWAAG-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001492878344 914980363 /nfs/dbraw/zinc/98/03/63/914980363.db2.gz INBHKBUHBDWAAG-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C[NH+](C)C[C@@H](O)CNCCC(=O)Nc1cccc(C#N)c1 ZINC001329428739 915909675 /nfs/dbraw/zinc/90/96/75/915909675.db2.gz UYQNRHBIKZGQLE-AWEZNQCLSA-N 2 1 290.367 0.399 20 30 CCEDMP C[NH+](C)C[C@@H](O)C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001329428739 915909702 /nfs/dbraw/zinc/90/97/02/915909702.db2.gz UYQNRHBIKZGQLE-AWEZNQCLSA-N 2 1 290.367 0.399 20 30 CCEDMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001329475915 915950665 /nfs/dbraw/zinc/95/06/65/915950665.db2.gz XIVPAOUXVIOOIL-GFCCVEGCSA-N 2 1 292.383 0.810 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001329475915 915950682 /nfs/dbraw/zinc/95/06/82/915950682.db2.gz XIVPAOUXVIOOIL-GFCCVEGCSA-N 2 1 292.383 0.810 20 30 CCEDMP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001331842516 917658147 /nfs/dbraw/zinc/65/81/47/917658147.db2.gz QMWMYIRYTPCONB-CHWSQXEVSA-N 2 1 269.389 0.114 20 30 CCEDMP C=CCO[C@@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001332013327 917803076 /nfs/dbraw/zinc/80/30/76/917803076.db2.gz PDLHBMXLICAVQX-DZGCQCFKSA-N 2 1 291.399 0.980 20 30 CCEDMP C=CCO[C@@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001332013327 917803092 /nfs/dbraw/zinc/80/30/92/917803092.db2.gz PDLHBMXLICAVQX-DZGCQCFKSA-N 2 1 291.399 0.980 20 30 CCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001332634499 918332646 /nfs/dbraw/zinc/33/26/46/918332646.db2.gz XGYGQIMGFCLHDL-GJZGRUSLSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001332634499 918332660 /nfs/dbraw/zinc/33/26/60/918332660.db2.gz XGYGQIMGFCLHDL-GJZGRUSLSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001332634499 918332674 /nfs/dbraw/zinc/33/26/74/918332674.db2.gz XGYGQIMGFCLHDL-GJZGRUSLSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCO[C@@H]1CC[N@H+](C[C@@H](O)CN(C)CCOC)C1 ZINC001332839302 918470825 /nfs/dbraw/zinc/47/08/25/918470825.db2.gz BMYIHWNSQQTNAT-UONOGXRCSA-N 2 1 272.389 0.202 20 30 CCEDMP C=CCO[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC001332839302 918470838 /nfs/dbraw/zinc/47/08/38/918470838.db2.gz BMYIHWNSQQTNAT-UONOGXRCSA-N 2 1 272.389 0.202 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001332898890 918515065 /nfs/dbraw/zinc/51/50/65/918515065.db2.gz MNXBQDRQBLOUPP-KBPBESRZSA-N 2 1 295.427 0.461 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001332898890 918515077 /nfs/dbraw/zinc/51/50/77/918515077.db2.gz MNXBQDRQBLOUPP-KBPBESRZSA-N 2 1 295.427 0.461 20 30 CCEDMP C#CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)CCOC ZINC001332927673 918538489 /nfs/dbraw/zinc/53/84/89/918538489.db2.gz KYLZLSSWQYEIIC-UHFFFAOYSA-N 2 1 295.427 0.416 20 30 CCEDMP C#CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)CCOC ZINC001332927673 918538501 /nfs/dbraw/zinc/53/85/01/918538501.db2.gz KYLZLSSWQYEIIC-UHFFFAOYSA-N 2 1 295.427 0.416 20 30 CCEDMP C#CC[NH2+]CC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC001341555724 922551233 /nfs/dbraw/zinc/55/12/33/922551233.db2.gz MRGABHXTVDDEJK-AWEZNQCLSA-N 2 1 265.401 0.838 20 30 CCEDMP C#CC[NH2+]CC(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001341660179 922612310 /nfs/dbraw/zinc/61/23/10/922612310.db2.gz URHAFZIUUJBXKK-OKILXGFUSA-N 2 1 281.400 0.215 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001419173887 922689664 /nfs/dbraw/zinc/68/96/64/922689664.db2.gz HDZDEBFKKLAZSM-NWDGAFQWSA-N 2 1 289.807 0.554 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001419173887 922689678 /nfs/dbraw/zinc/68/96/78/922689678.db2.gz HDZDEBFKKLAZSM-NWDGAFQWSA-N 2 1 289.807 0.554 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)[C@H]1CCC[C@H]1O)[C@@H]1CCC[C@@H]1O ZINC000352666962 529822758 /nfs/dbraw/zinc/82/27/58/529822758.db2.gz IQSPPCXKVPKATN-SYMSYNOKSA-N 2 1 280.412 0.680 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1CCC[C@@H]1O)[C@H]1CCC[C@H]1O ZINC000352666962 529822760 /nfs/dbraw/zinc/82/27/60/529822760.db2.gz IQSPPCXKVPKATN-SYMSYNOKSA-N 2 1 280.412 0.680 20 30 CCEDMP C[NH+](CC#CC[N@@H+](C)[C@@H]1CCC[C@@H]1O)[C@H]1CCC[C@H]1O ZINC000352666962 529822762 /nfs/dbraw/zinc/82/27/62/529822762.db2.gz IQSPPCXKVPKATN-SYMSYNOKSA-N 2 1 280.412 0.680 20 30 CCEDMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1C ZINC000594437836 360307687 /nfs/dbraw/zinc/30/76/87/360307687.db2.gz KZMCVOVKAXODGO-UPJWGTAASA-N 2 1 266.389 0.997 20 30 CCEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000594440310 360308964 /nfs/dbraw/zinc/30/89/64/360308964.db2.gz BZSXHOAEPQSCRY-CYBMUJFWSA-N 2 1 264.373 0.704 20 30 CCEDMP CC(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594441299 360309872 /nfs/dbraw/zinc/30/98/72/360309872.db2.gz QOXALKUPNGKFGS-ZDUSSCGKSA-N 2 1 266.389 0.950 20 30 CCEDMP C[NH+](C)CCC[C@@H]1C[N@H+](CCOCCC#N)CCO1 ZINC000595907202 360699491 /nfs/dbraw/zinc/69/94/91/360699491.db2.gz SSFSTHSNEDDZMN-CQSZACIVSA-N 2 1 269.389 0.959 20 30 CCEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOCCC#N)CCO1 ZINC000595907202 360699495 /nfs/dbraw/zinc/69/94/95/360699495.db2.gz SSFSTHSNEDDZMN-CQSZACIVSA-N 2 1 269.389 0.959 20 30 CCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]c(C#N)c1 ZINC000596451496 360898993 /nfs/dbraw/zinc/89/89/93/360898993.db2.gz YXDCOMCWAQIWES-LBPRGKRZSA-N 2 1 291.399 0.888 20 30 CCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]c(C#N)c1 ZINC000596451496 360898994 /nfs/dbraw/zinc/89/89/94/360898994.db2.gz YXDCOMCWAQIWES-LBPRGKRZSA-N 2 1 291.399 0.888 20 30 CCEDMP CCc1nc(C#N)cc(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000596423634 360890287 /nfs/dbraw/zinc/89/02/87/360890287.db2.gz ABGJARVYCIMOKM-UHFFFAOYSA-N 2 1 290.415 0.628 20 30 CCEDMP CCc1nc(C#N)cc(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000596423634 360890289 /nfs/dbraw/zinc/89/02/89/360890289.db2.gz ABGJARVYCIMOKM-UHFFFAOYSA-N 2 1 290.415 0.628 20 30 CCEDMP Cn1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1C#N ZINC000289543651 197397151 /nfs/dbraw/zinc/39/71/51/197397151.db2.gz WYLCUXQXZGKBOC-UHFFFAOYSA-N 2 1 289.427 0.966 20 30 CCEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[C@H]21 ZINC000332715372 260020686 /nfs/dbraw/zinc/02/06/86/260020686.db2.gz QAIAWWOHPOQVPT-HZSPNIEDSA-N 2 1 278.400 0.950 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000296545233 389010580 /nfs/dbraw/zinc/01/05/80/389010580.db2.gz FIJMDHJGTJKNMR-CQSZACIVSA-N 2 1 292.427 0.891 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000296545233 389010582 /nfs/dbraw/zinc/01/05/82/389010582.db2.gz FIJMDHJGTJKNMR-CQSZACIVSA-N 2 1 292.427 0.891 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000296545233 389010583 /nfs/dbraw/zinc/01/05/83/389010583.db2.gz FIJMDHJGTJKNMR-CQSZACIVSA-N 2 1 292.427 0.891 20 30 CCEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CCCn1ccnc1 ZINC000130370772 389204745 /nfs/dbraw/zinc/20/47/45/389204745.db2.gz PVICOJXXLHSYHQ-CYBMUJFWSA-N 2 1 277.372 0.966 20 30 CCEDMP C[N@H+]1CCC[C@H]1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000329528859 389169081 /nfs/dbraw/zinc/16/90/81/389169081.db2.gz SVBUFAKBPFIUGL-LBPRGKRZSA-N 2 1 284.404 0.041 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NCC1CCOCC1 ZINC000262768820 389294205 /nfs/dbraw/zinc/29/42/05/389294205.db2.gz GXVIYRLDDPHFSW-UHFFFAOYSA-N 2 1 279.388 0.783 20 30 CCEDMP C=CCN1CC[C@H]([N@H+](C)CCn2cc[nH+]c2C)C1=O ZINC000281339777 389614345 /nfs/dbraw/zinc/61/43/45/389614345.db2.gz MKMDZSMHBFMZNA-ZDUSSCGKSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+](C)CCn2cc[nH+]c2C)C1=O ZINC000281339777 389614347 /nfs/dbraw/zinc/61/43/47/389614347.db2.gz MKMDZSMHBFMZNA-ZDUSSCGKSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420401310 389997284 /nfs/dbraw/zinc/99/72/84/389997284.db2.gz JCIRFGNWDIJZQN-GRYCIOLGSA-N 2 1 282.388 0.303 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420401310 389997285 /nfs/dbraw/zinc/99/72/85/389997285.db2.gz JCIRFGNWDIJZQN-GRYCIOLGSA-N 2 1 282.388 0.303 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000491385854 390112785 /nfs/dbraw/zinc/11/27/85/390112785.db2.gz SNHFKGHYDHUNRG-UONOGXRCSA-N 2 1 280.416 0.853 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000491701545 390116139 /nfs/dbraw/zinc/11/61/39/390116139.db2.gz XERLKRHEQRAZAC-OAHLLOKOSA-N 2 1 280.416 0.630 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525686422 390665142 /nfs/dbraw/zinc/66/51/42/390665142.db2.gz PSBALLRUWXOQGQ-HNNXBMFYSA-N 2 1 294.443 0.389 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525686422 390665143 /nfs/dbraw/zinc/66/51/43/390665143.db2.gz PSBALLRUWXOQGQ-HNNXBMFYSA-N 2 1 294.443 0.389 20 30 CCEDMP C=C(C)[C@H](CO)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326412 414710527 /nfs/dbraw/zinc/71/05/27/414710527.db2.gz ZBYWWUUTTHYMNM-KGLIPLIRSA-N 2 1 256.390 0.966 20 30 CCEDMP C=C(C)[C@H](CO)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326412 414710528 /nfs/dbraw/zinc/71/05/28/414710528.db2.gz ZBYWWUUTTHYMNM-KGLIPLIRSA-N 2 1 256.390 0.966 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000364036231 262111641 /nfs/dbraw/zinc/11/16/41/262111641.db2.gz JMNCJXIZMYDWKQ-VXGBXAGGSA-N 2 1 252.362 0.540 20 30 CCEDMP C[C@@H]1C[NH+](CC#CC[N@H+]2CC[C@H](O)[C@@H](C)C2)CC[C@@H]1O ZINC000342119820 263390023 /nfs/dbraw/zinc/39/00/23/263390023.db2.gz CZCLYBUTMYOSGQ-FZKCQIBNSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1C[N@H+](CC#CC[NH+]2CC[C@H](O)[C@@H](C)C2)CC[C@@H]1O ZINC000342119820 263390026 /nfs/dbraw/zinc/39/00/26/263390026.db2.gz CZCLYBUTMYOSGQ-FZKCQIBNSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1C[N@@H+](CC#CC[NH+]2CC[C@H](O)[C@@H](C)C2)CC[C@@H]1O ZINC000342119820 263390027 /nfs/dbraw/zinc/39/00/27/263390027.db2.gz CZCLYBUTMYOSGQ-FZKCQIBNSA-N 2 1 280.412 0.395 20 30 CCEDMP N#C[C@H]1CC[C@@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000328723654 263840462 /nfs/dbraw/zinc/84/04/62/263840462.db2.gz AOMZSVOXQZYDIE-LSDHHAIUSA-N 2 1 293.411 0.838 20 30 CCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368615502 267190990 /nfs/dbraw/zinc/19/09/90/267190990.db2.gz QIFQGWLYDVRNTB-YNEHKIRRSA-N 2 1 251.374 0.751 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000376744467 268013567 /nfs/dbraw/zinc/01/35/67/268013567.db2.gz UEZQPBJDKYPLGG-HNNXBMFYSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000376744467 268013572 /nfs/dbraw/zinc/01/35/72/268013572.db2.gz UEZQPBJDKYPLGG-HNNXBMFYSA-N 2 1 295.427 0.862 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000262487399 330017081 /nfs/dbraw/zinc/01/70/81/330017081.db2.gz VBJLFXFXRTXCLE-ZJUUUORDSA-N 2 1 251.334 0.137 20 30 CCEDMP C[NH+]=C(NCc1nccn1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262782346 330031055 /nfs/dbraw/zinc/03/10/55/330031055.db2.gz LQVRBVWZOKKCTC-NSHDSACASA-N 2 1 276.388 0.322 20 30 CCEDMP C[NH+]=C(NCc1nccn1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262782346 330031057 /nfs/dbraw/zinc/03/10/57/330031057.db2.gz LQVRBVWZOKKCTC-NSHDSACASA-N 2 1 276.388 0.322 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000424155219 330301915 /nfs/dbraw/zinc/30/19/15/330301915.db2.gz MNGHTOGMTXZAHW-PWSUYJOCSA-N 2 1 250.346 0.360 20 30 CCEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C[NH+]1CCOCC1 ZINC000424157491 330304709 /nfs/dbraw/zinc/30/47/09/330304709.db2.gz PPTUYSYOHKGUBK-QWHCGFSZSA-N 2 1 282.388 0.092 20 30 CCEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]2C1 ZINC000424177844 330317766 /nfs/dbraw/zinc/31/77/66/330317766.db2.gz VCLJHNIYNGVZFA-FRRDWIJNSA-N 2 1 264.373 0.560 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000491156101 332158590 /nfs/dbraw/zinc/15/85/90/332158590.db2.gz XLYPZYQLHLZEML-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000491308119 332187091 /nfs/dbraw/zinc/18/70/91/332187091.db2.gz SSQBOAUZBSRZPO-LBPRGKRZSA-N 2 1 254.378 0.224 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000491419652 332208318 /nfs/dbraw/zinc/20/83/18/332208318.db2.gz VORKGGKYJDNFTB-CQSZACIVSA-N 2 1 282.432 0.969 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000491419652 332208319 /nfs/dbraw/zinc/20/83/19/332208319.db2.gz VORKGGKYJDNFTB-CQSZACIVSA-N 2 1 282.432 0.969 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000491419652 332208320 /nfs/dbraw/zinc/20/83/20/332208320.db2.gz VORKGGKYJDNFTB-CQSZACIVSA-N 2 1 282.432 0.969 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1([NH3+])CCC1 ZINC000491711751 332303082 /nfs/dbraw/zinc/30/30/82/332303082.db2.gz XHMADFONGXWYTC-UHFFFAOYSA-N 2 1 252.362 0.122 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000491810700 332363452 /nfs/dbraw/zinc/36/34/52/332363452.db2.gz JZGHUBSMGPITHF-UHFFFAOYSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CCNC(=O)[C@@H](C)NC1CC[NH+](CCOC(C)C)CC1 ZINC000177492399 333059715 /nfs/dbraw/zinc/05/97/15/333059715.db2.gz HNIJOYHGSQKGGI-CQSZACIVSA-N 2 1 295.427 0.603 20 30 CCEDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000516762101 333081917 /nfs/dbraw/zinc/08/19/17/333081917.db2.gz UNGJNOWIKLXZPH-HOTGVXAUSA-N 2 1 296.459 0.760 20 30 CCEDMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H](OC)C[NH+]2C)C1 ZINC000328994217 581113932 /nfs/dbraw/zinc/11/39/32/581113932.db2.gz DYLAVADDDCMYCZ-AGIUHOORSA-N 2 1 285.388 0.383 20 30 CCEDMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H](OC)C[NH+]2C)C1 ZINC000328994217 581113934 /nfs/dbraw/zinc/11/39/34/581113934.db2.gz DYLAVADDDCMYCZ-AGIUHOORSA-N 2 1 285.388 0.383 20 30 CCEDMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)C1 ZINC000328994217 581113936 /nfs/dbraw/zinc/11/39/36/581113936.db2.gz DYLAVADDDCMYCZ-AGIUHOORSA-N 2 1 285.388 0.383 20 30 CCEDMP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)C1 ZINC000328994217 581113937 /nfs/dbraw/zinc/11/39/37/581113937.db2.gz DYLAVADDDCMYCZ-AGIUHOORSA-N 2 1 285.388 0.383 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000730279076 581689622 /nfs/dbraw/zinc/68/96/22/581689622.db2.gz UBYHFUBSTGHVMM-UONOGXRCSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000730279076 581689625 /nfs/dbraw/zinc/68/96/25/581689625.db2.gz UBYHFUBSTGHVMM-UONOGXRCSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC000743493530 581815145 /nfs/dbraw/zinc/81/51/45/581815145.db2.gz XSAZRCZKUXMPQP-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000764628240 582059503 /nfs/dbraw/zinc/05/95/03/582059503.db2.gz HYAZBECBTXYPCU-UHFFFAOYSA-N 2 1 277.372 0.187 20 30 CCEDMP C#CCOCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000851883761 612984296 /nfs/dbraw/zinc/98/42/96/612984296.db2.gz XMJZXYUAPPYBDH-HZPDHXFCSA-N 2 1 279.428 0.594 20 30 CCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970911010 612994397 /nfs/dbraw/zinc/99/43/97/612994397.db2.gz RLNDKPSWENUHFZ-UKRRQHHQSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000820197308 612998889 /nfs/dbraw/zinc/99/88/89/612998889.db2.gz MLBVPYDOBZJGGM-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(C(=O)CC)CC1 ZINC000815652635 613078670 /nfs/dbraw/zinc/07/86/70/613078670.db2.gz KRCFEFNNMFDPCZ-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(C(=O)CC)CC1 ZINC000815652635 613078672 /nfs/dbraw/zinc/07/86/72/613078672.db2.gz KRCFEFNNMFDPCZ-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000886616324 613079340 /nfs/dbraw/zinc/07/93/40/613079340.db2.gz ZVMIYZWMMZBJGF-OLZOCXBDSA-N 2 1 252.358 0.873 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000886616324 613079341 /nfs/dbraw/zinc/07/93/41/613079341.db2.gz ZVMIYZWMMZBJGF-OLZOCXBDSA-N 2 1 252.358 0.873 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000972609905 613080585 /nfs/dbraw/zinc/08/05/85/613080585.db2.gz FSKGIFNYHDFQHF-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000971736469 613083398 /nfs/dbraw/zinc/08/33/98/613083398.db2.gz QAABKRWEEXLXAU-KGLIPLIRSA-N 2 1 265.401 0.739 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000916117112 613134003 /nfs/dbraw/zinc/13/40/03/613134003.db2.gz JGBUMCVQKHBVLX-UHFFFAOYSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000981666268 613142037 /nfs/dbraw/zinc/14/20/37/613142037.db2.gz NVAAGWKTJSIVPF-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981666268 613142039 /nfs/dbraw/zinc/14/20/39/613142039.db2.gz NVAAGWKTJSIVPF-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981666268 613142041 /nfs/dbraw/zinc/14/20/41/613142041.db2.gz NVAAGWKTJSIVPF-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C)CC2)C1 ZINC000884195542 613168521 /nfs/dbraw/zinc/16/85/21/613168521.db2.gz PXMYTSOFUBGXPK-CQSZACIVSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C)CC2)C1 ZINC000884195542 613168523 /nfs/dbraw/zinc/16/85/23/613168523.db2.gz PXMYTSOFUBGXPK-CQSZACIVSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CCC[N@H+](C)C2)C1 ZINC000896490392 613182940 /nfs/dbraw/zinc/18/29/40/613182940.db2.gz SIIJBXBZLOFUEF-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)C1 ZINC000896490392 613182941 /nfs/dbraw/zinc/18/29/41/613182941.db2.gz SIIJBXBZLOFUEF-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CCC[NH+](C)C2)C1 ZINC000896490392 613182942 /nfs/dbraw/zinc/18/29/42/613182942.db2.gz SIIJBXBZLOFUEF-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CCC[NH+](C)C2)C1 ZINC000896490392 613182943 /nfs/dbraw/zinc/18/29/43/613182943.db2.gz SIIJBXBZLOFUEF-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC000896491165 613184130 /nfs/dbraw/zinc/18/41/30/613184130.db2.gz ZZKLJKOBJQESMG-KKUMJFAQSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)C1 ZINC000896491165 613184131 /nfs/dbraw/zinc/18/41/31/613184131.db2.gz ZZKLJKOBJQESMG-KKUMJFAQSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC000896491165 613184133 /nfs/dbraw/zinc/18/41/33/613184133.db2.gz ZZKLJKOBJQESMG-KKUMJFAQSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3C[NH+](C)C[C@@H]32)C1 ZINC000896491165 613184134 /nfs/dbraw/zinc/18/41/34/613184134.db2.gz ZZKLJKOBJQESMG-KKUMJFAQSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000888169338 613184669 /nfs/dbraw/zinc/18/46/69/613184669.db2.gz GWKDGZRBOYMBHC-HNNXBMFYSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000888169338 613184671 /nfs/dbraw/zinc/18/46/71/613184671.db2.gz GWKDGZRBOYMBHC-HNNXBMFYSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC=C)C1 ZINC000971703610 613195663 /nfs/dbraw/zinc/19/56/63/613195663.db2.gz JGBQFDGMHDKFCN-CABCVRRESA-N 2 1 275.396 0.803 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC=C)C1 ZINC000971703610 613195664 /nfs/dbraw/zinc/19/56/64/613195664.db2.gz JGBQFDGMHDKFCN-CABCVRRESA-N 2 1 275.396 0.803 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC=C)C1 ZINC000971703610 613195665 /nfs/dbraw/zinc/19/56/65/613195665.db2.gz JGBQFDGMHDKFCN-CABCVRRESA-N 2 1 275.396 0.803 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC=C)C1 ZINC000971703610 613195666 /nfs/dbraw/zinc/19/56/66/613195666.db2.gz JGBQFDGMHDKFCN-CABCVRRESA-N 2 1 275.396 0.803 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC2)C1 ZINC000969865082 613200766 /nfs/dbraw/zinc/20/07/66/613200766.db2.gz JIHOCMYXEFLFHY-BBRMVZONSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC2)C1 ZINC000969865082 613200768 /nfs/dbraw/zinc/20/07/68/613200768.db2.gz JIHOCMYXEFLFHY-BBRMVZONSA-N 2 1 289.423 0.931 20 30 CCEDMP CNC(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)=[NH+]C ZINC000853013334 613218811 /nfs/dbraw/zinc/21/88/11/613218811.db2.gz WXPYIPZFAGIRGV-VXGBXAGGSA-N 2 1 266.389 0.425 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000948052195 613228321 /nfs/dbraw/zinc/22/83/21/613228321.db2.gz BWRDEXHEMRVFID-TZMCWYRMSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000948052195 613228323 /nfs/dbraw/zinc/22/83/23/613228323.db2.gz BWRDEXHEMRVFID-TZMCWYRMSA-N 2 1 274.368 0.794 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905098769 613304788 /nfs/dbraw/zinc/30/47/88/613304788.db2.gz WWCHBTZGXICLEL-HOTGVXAUSA-N 2 1 298.427 0.519 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCC[NH+]1CCSCC1 ZINC000900673332 613364840 /nfs/dbraw/zinc/36/48/40/613364840.db2.gz PTVMHLZGGPFSNY-UHFFFAOYSA-N 2 1 271.430 0.659 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000840569115 613365740 /nfs/dbraw/zinc/36/57/40/613365740.db2.gz ZRBJKXYBNDQKQW-UHFFFAOYSA-N 2 1 283.416 0.673 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CCO[C@@H]2CC[N@H+](CC)C[C@@H]21 ZINC000818033066 613366205 /nfs/dbraw/zinc/36/62/05/613366205.db2.gz DWOAEBUHXDXRHL-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000841457096 613366345 /nfs/dbraw/zinc/36/63/45/613366345.db2.gz NSAKFFFUKNLSKC-STQMWFEESA-N 2 1 269.389 0.018 20 30 CCEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977604355 613621435 /nfs/dbraw/zinc/62/14/35/613621435.db2.gz VVSWVXAURXTEJQ-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977604355 613621438 /nfs/dbraw/zinc/62/14/38/613621438.db2.gz VVSWVXAURXTEJQ-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977604355 613621441 /nfs/dbraw/zinc/62/14/41/613621441.db2.gz VVSWVXAURXTEJQ-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326386 613663335 /nfs/dbraw/zinc/66/33/35/613663335.db2.gz RCPXCMPJEOGRIZ-UKRRQHHQSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326386 613663336 /nfs/dbraw/zinc/66/33/36/613663336.db2.gz RCPXCMPJEOGRIZ-UKRRQHHQSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269167 613701109 /nfs/dbraw/zinc/70/11/09/613701109.db2.gz KKDNFCGOTNCZRZ-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269167 613701113 /nfs/dbraw/zinc/70/11/13/613701113.db2.gz KKDNFCGOTNCZRZ-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000948269167 613701117 /nfs/dbraw/zinc/70/11/17/613701117.db2.gz KKDNFCGOTNCZRZ-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269167 613701121 /nfs/dbraw/zinc/70/11/21/613701121.db2.gz KKDNFCGOTNCZRZ-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496340 613851682 /nfs/dbraw/zinc/85/16/82/613851682.db2.gz BLARZYGQHOUZBS-GRYCIOLGSA-N 2 1 282.388 0.303 20 30 CCEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000963176193 613859616 /nfs/dbraw/zinc/85/96/16/613859616.db2.gz BDJZYMFYRLRDIW-NRXISQOPSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000963176193 613859618 /nfs/dbraw/zinc/85/96/18/613859618.db2.gz BDJZYMFYRLRDIW-NRXISQOPSA-N 2 1 295.427 0.862 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+](C)C(C)C ZINC000104191704 615131282 /nfs/dbraw/zinc/13/12/82/615131282.db2.gz RFSMGOLUFSRQFS-CYBMUJFWSA-N 3 1 269.437 0.715 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000104191704 615131283 /nfs/dbraw/zinc/13/12/83/615131283.db2.gz RFSMGOLUFSRQFS-CYBMUJFWSA-N 3 1 269.437 0.715 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000104191704 615131285 /nfs/dbraw/zinc/13/12/85/615131285.db2.gz RFSMGOLUFSRQFS-CYBMUJFWSA-N 3 1 269.437 0.715 20 30 CCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN(C)C(C)C ZINC000104191704 615131287 /nfs/dbraw/zinc/13/12/87/615131287.db2.gz RFSMGOLUFSRQFS-CYBMUJFWSA-N 2 1 269.437 0.715 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN(C)C(C)C ZINC000104191704 615131288 /nfs/dbraw/zinc/13/12/88/615131288.db2.gz RFSMGOLUFSRQFS-CYBMUJFWSA-N 2 1 269.437 0.715 20 30 CCEDMP CC[NH+]1CCN(C[C@@H](C)CNC(NC2CC2)=[NH+]C)CC1 ZINC000103338425 615158818 /nfs/dbraw/zinc/15/88/18/615158818.db2.gz QRNCXEFCJJNZDJ-ZDUSSCGKSA-N 2 1 281.448 0.587 20 30 CCEDMP CCOCCC[N@@H+]1CCC(N=NC2=[NH+]CCN2)[C@@H](C)C1 ZINC000841659159 615241514 /nfs/dbraw/zinc/24/15/14/615241514.db2.gz LSNWSHSLRGYMKA-LBPRGKRZSA-N 2 1 281.404 0.660 20 30 CCEDMP CCOCCC[N@H+]1CCC(N=NC2=[NH+]CCN2)[C@@H](C)C1 ZINC000841659159 615241517 /nfs/dbraw/zinc/24/15/17/615241517.db2.gz LSNWSHSLRGYMKA-LBPRGKRZSA-N 2 1 281.404 0.660 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000913517859 615859452 /nfs/dbraw/zinc/85/94/52/615859452.db2.gz SHNRQLDCPSSBFT-OAHLLOKOSA-N 2 1 273.380 0.971 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579332 616067378 /nfs/dbraw/zinc/06/73/78/616067378.db2.gz ZGUJUJBWNZICMY-KBPBESRZSA-N 2 1 278.400 0.775 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579332 616067379 /nfs/dbraw/zinc/06/73/79/616067379.db2.gz ZGUJUJBWNZICMY-KBPBESRZSA-N 2 1 278.400 0.775 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579332 616067380 /nfs/dbraw/zinc/06/73/80/616067380.db2.gz ZGUJUJBWNZICMY-KBPBESRZSA-N 2 1 278.400 0.775 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579332 616067381 /nfs/dbraw/zinc/06/73/81/616067381.db2.gz ZGUJUJBWNZICMY-KBPBESRZSA-N 2 1 278.400 0.775 20 30 CCEDMP CN(CC[N@@H+](C)C1CC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852887259 616083318 /nfs/dbraw/zinc/08/33/18/616083318.db2.gz JLMMYHRLZXPYBG-UHFFFAOYSA-N 2 1 263.385 0.542 20 30 CCEDMP C[N@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884198335 616213922 /nfs/dbraw/zinc/21/39/22/616213922.db2.gz SJYCVUVELSDZQP-FMPXUHTOSA-N 2 1 276.384 0.336 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001022610553 622586246 /nfs/dbraw/zinc/58/62/46/622586246.db2.gz RCNPYEZEUMTAPD-MELADBBJSA-N 2 1 286.379 0.624 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001023274184 622973169 /nfs/dbraw/zinc/97/31/69/622973169.db2.gz UWVQQWKFLLGDBW-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C[NH+]=C(NCC1CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261808381 624824824 /nfs/dbraw/zinc/82/48/24/624824824.db2.gz SJQCORXTNMOISN-CQSZACIVSA-N 2 1 280.416 0.626 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027332289 625835011 /nfs/dbraw/zinc/83/50/11/625835011.db2.gz MYBHKWIRVAFBQL-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001027332289 625835013 /nfs/dbraw/zinc/83/50/13/625835013.db2.gz MYBHKWIRVAFBQL-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027332289 625835016 /nfs/dbraw/zinc/83/50/16/625835016.db2.gz MYBHKWIRVAFBQL-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027346072 625842990 /nfs/dbraw/zinc/84/29/90/625842990.db2.gz CQOPALLZBRITFY-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027346072 625842992 /nfs/dbraw/zinc/84/29/92/625842992.db2.gz CQOPALLZBRITFY-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001027346072 625842996 /nfs/dbraw/zinc/84/29/96/625842996.db2.gz CQOPALLZBRITFY-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001027346072 625843001 /nfs/dbraw/zinc/84/30/01/625843001.db2.gz CQOPALLZBRITFY-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650211 630833637 /nfs/dbraw/zinc/83/36/37/630833637.db2.gz CGFUFFDKKCUKAJ-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027650211 630833644 /nfs/dbraw/zinc/83/36/44/630833644.db2.gz CGFUFFDKKCUKAJ-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027650211 630833645 /nfs/dbraw/zinc/83/36/45/630833645.db2.gz CGFUFFDKKCUKAJ-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027806326 630935163 /nfs/dbraw/zinc/93/51/63/630935163.db2.gz GGCRBFKMWAGCRJ-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027806326 630935166 /nfs/dbraw/zinc/93/51/66/630935166.db2.gz GGCRBFKMWAGCRJ-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027806326 630935168 /nfs/dbraw/zinc/93/51/68/630935168.db2.gz GGCRBFKMWAGCRJ-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027806326 630935171 /nfs/dbraw/zinc/93/51/71/630935171.db2.gz GGCRBFKMWAGCRJ-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)C[C@H]1CCOC1 ZINC000261682436 631438539 /nfs/dbraw/zinc/43/85/39/631438539.db2.gz QQRJGIFLFHTGSI-UONOGXRCSA-N 2 1 282.432 0.872 20 30 CCEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000985355050 632447272 /nfs/dbraw/zinc/44/72/72/632447272.db2.gz SKGDQXPBXLDVFB-AWEZNQCLSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000985355050 632447278 /nfs/dbraw/zinc/44/72/78/632447278.db2.gz SKGDQXPBXLDVFB-AWEZNQCLSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000985355050 632447283 /nfs/dbraw/zinc/44/72/83/632447283.db2.gz SKGDQXPBXLDVFB-AWEZNQCLSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000985355050 632447286 /nfs/dbraw/zinc/44/72/86/632447286.db2.gz SKGDQXPBXLDVFB-AWEZNQCLSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000985355050 632447293 /nfs/dbraw/zinc/44/72/93/632447293.db2.gz SKGDQXPBXLDVFB-AWEZNQCLSA-N 2 1 281.400 0.426 20 30 CCEDMP COCCNC(=[NH2+])NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000305021534 632517976 /nfs/dbraw/zinc/51/79/76/632517976.db2.gz NZSLOTKHUWPHMX-GFCCVEGCSA-N 2 1 256.394 0.515 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985615419 632595085 /nfs/dbraw/zinc/59/50/85/632595085.db2.gz XIXXCTFJGSLQNN-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000985796514 632645466 /nfs/dbraw/zinc/64/54/66/632645466.db2.gz ITBVDEIZDHJMEI-OAHLLOKOSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000985796514 632645471 /nfs/dbraw/zinc/64/54/71/632645471.db2.gz ITBVDEIZDHJMEI-OAHLLOKOSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000985796514 632645473 /nfs/dbraw/zinc/64/54/73/632645473.db2.gz ITBVDEIZDHJMEI-OAHLLOKOSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000985796514 632645477 /nfs/dbraw/zinc/64/54/77/632645477.db2.gz ITBVDEIZDHJMEI-OAHLLOKOSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001007626507 650086673 /nfs/dbraw/zinc/08/66/73/650086673.db2.gz YDWAMHNHUOWTLC-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001007626507 650086675 /nfs/dbraw/zinc/08/66/75/650086675.db2.gz YDWAMHNHUOWTLC-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001007626507 650086677 /nfs/dbraw/zinc/08/66/77/650086677.db2.gz YDWAMHNHUOWTLC-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007626507 650086679 /nfs/dbraw/zinc/08/66/79/650086679.db2.gz YDWAMHNHUOWTLC-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC000987193197 632840849 /nfs/dbraw/zinc/84/08/49/632840849.db2.gz XSYRATPBPYUMHC-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000987531087 632877442 /nfs/dbraw/zinc/87/74/42/632877442.db2.gz JWLDDPZTAUHZGN-AAEUAGOBSA-N 2 1 260.341 0.404 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000989450805 633273716 /nfs/dbraw/zinc/27/37/16/633273716.db2.gz PYITVUJGAOMAMQ-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC000989802307 633354006 /nfs/dbraw/zinc/35/40/06/633354006.db2.gz GHRLHRVBKDKCSL-DGCLKSJQSA-N 2 1 260.341 0.404 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616458 638824599 /nfs/dbraw/zinc/82/45/99/638824599.db2.gz SGVDCRZCJASGRC-CHWSQXEVSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000996996743 638847869 /nfs/dbraw/zinc/84/78/69/638847869.db2.gz ZSALBTOIBHWQAT-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189881 638965968 /nfs/dbraw/zinc/96/59/68/638965968.db2.gz NYZXBUNDVYYYMM-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999508998 638983541 /nfs/dbraw/zinc/98/35/41/638983541.db2.gz IMEJQMQPJHZYMT-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001003140306 639512406 /nfs/dbraw/zinc/51/24/06/639512406.db2.gz RCDNDNJTWUVVFB-UKRRQHHQSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001003140306 639512413 /nfs/dbraw/zinc/51/24/13/639512413.db2.gz RCDNDNJTWUVVFB-UKRRQHHQSA-N 2 1 295.427 0.862 20 30 CCEDMP CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086485021 639838891 /nfs/dbraw/zinc/83/88/91/639838891.db2.gz KFZFPBIXQUYAJW-GFCCVEGCSA-N 2 1 280.416 0.693 20 30 CCEDMP CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086485021 639838896 /nfs/dbraw/zinc/83/88/96/639838896.db2.gz KFZFPBIXQUYAJW-GFCCVEGCSA-N 2 1 280.416 0.693 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001005714628 639954297 /nfs/dbraw/zinc/95/42/97/639954297.db2.gz UMYLZMALOSRZPB-UHFFFAOYSA-N 2 1 274.368 0.748 20 30 CCEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000923331401 640088849 /nfs/dbraw/zinc/08/88/49/640088849.db2.gz GMZWNSFCLVVCAM-ZDUSSCGKSA-N 2 1 275.352 0.769 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597516 650587591 /nfs/dbraw/zinc/58/75/91/650587591.db2.gz SZIWMSQZHIGAKZ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001015597516 650587592 /nfs/dbraw/zinc/58/75/92/650587592.db2.gz SZIWMSQZHIGAKZ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001015597516 650587595 /nfs/dbraw/zinc/58/75/95/650587595.db2.gz SZIWMSQZHIGAKZ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001015597516 650587597 /nfs/dbraw/zinc/58/75/97/650587597.db2.gz SZIWMSQZHIGAKZ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001015708695 650613715 /nfs/dbraw/zinc/61/37/15/650613715.db2.gz JTJDZUSTOGCNJF-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015708695 650613718 /nfs/dbraw/zinc/61/37/18/650613718.db2.gz JTJDZUSTOGCNJF-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015708695 650613721 /nfs/dbraw/zinc/61/37/21/650613721.db2.gz JTJDZUSTOGCNJF-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015705853 650613803 /nfs/dbraw/zinc/61/38/03/650613803.db2.gz QITLSLHESKJMPT-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015705853 650613805 /nfs/dbraw/zinc/61/38/05/650613805.db2.gz QITLSLHESKJMPT-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001015705853 650613806 /nfs/dbraw/zinc/61/38/06/650613806.db2.gz QITLSLHESKJMPT-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001015705853 650613808 /nfs/dbraw/zinc/61/38/08/650613808.db2.gz QITLSLHESKJMPT-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001015705446 650612254 /nfs/dbraw/zinc/61/22/54/650612254.db2.gz LJVWFDRTGLADSJ-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015705446 650612258 /nfs/dbraw/zinc/61/22/58/650612258.db2.gz LJVWFDRTGLADSJ-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015705446 650612260 /nfs/dbraw/zinc/61/22/60/650612260.db2.gz LJVWFDRTGLADSJ-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016259350 650707985 /nfs/dbraw/zinc/70/79/85/650707985.db2.gz GMCAGQMNUNKMJE-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016259350 650707987 /nfs/dbraw/zinc/70/79/87/650707987.db2.gz GMCAGQMNUNKMJE-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260436 650708096 /nfs/dbraw/zinc/70/80/96/650708096.db2.gz QKJZQLRCORSMPJ-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260436 650708098 /nfs/dbraw/zinc/70/80/98/650708098.db2.gz QKJZQLRCORSMPJ-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000852860294 644028441 /nfs/dbraw/zinc/02/84/41/644028441.db2.gz OXRBTFBSDZJCRG-HUUCEWRRSA-N 2 1 275.396 0.732 20 30 CCEDMP C[C@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000852872440 644035507 /nfs/dbraw/zinc/03/55/07/644035507.db2.gz MMRQJCAEUDCDDH-GXTWGEPZSA-N 2 1 275.396 0.731 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001020214622 651050091 /nfs/dbraw/zinc/05/00/91/651050091.db2.gz ZCVLVXTYTGBANQ-MGPQQGTHSA-N 2 1 263.385 0.731 20 30 CCEDMP C[C@@H]1CNC(NN=C2CCC[N@@H+]3CCSC[C@H]23)=[NH+]1 ZINC000872364005 646252251 /nfs/dbraw/zinc/25/22/51/646252251.db2.gz ADEWGMNFLFLASM-MWLCHTKSSA-N 2 1 267.402 0.491 20 30 CCEDMP C[C@@H]1CNC(NN=C2CCC[N@H+]3CCSC[C@H]23)=[NH+]1 ZINC000872364005 646252257 /nfs/dbraw/zinc/25/22/57/646252257.db2.gz ADEWGMNFLFLASM-MWLCHTKSSA-N 2 1 267.402 0.491 20 30 CCEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000884202352 647666921 /nfs/dbraw/zinc/66/69/21/647666921.db2.gz WZJVYDHIDQFMEC-BTJONVMOSA-N 2 1 288.395 0.479 20 30 CCEDMP C[C@H](CNC(=[NH2+])N1CCSCC1)[N@@H+](C)C1CC1 ZINC000303969639 649827255 /nfs/dbraw/zinc/82/72/55/649827255.db2.gz BVYNVUQHMFBSTC-SNVBAGLBSA-N 2 1 256.419 0.833 20 30 CCEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303379870 649817365 /nfs/dbraw/zinc/81/73/65/649817365.db2.gz QMJFWPDCSIMOGG-OLZOCXBDSA-N 2 1 269.437 0.573 20 30 CCEDMP CCOC(=O)CCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303700240 649823944 /nfs/dbraw/zinc/82/39/44/649823944.db2.gz HMMFQIXDNSTXAF-GFCCVEGCSA-N 2 1 284.404 0.718 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303869642 649825879 /nfs/dbraw/zinc/82/58/79/649825879.db2.gz FBFRPXYPEDRZEZ-CQSZACIVSA-N 2 1 299.463 0.201 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[NH+](C)C1 ZINC000303882473 649826297 /nfs/dbraw/zinc/82/62/97/649826297.db2.gz ICEYJYPWSNUWFU-STQMWFEESA-N 3 1 267.421 0.327 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000303882473 649826298 /nfs/dbraw/zinc/82/62/98/649826298.db2.gz ICEYJYPWSNUWFU-STQMWFEESA-N 2 1 267.421 0.327 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000303882473 649826299 /nfs/dbraw/zinc/82/62/99/649826299.db2.gz ICEYJYPWSNUWFU-STQMWFEESA-N 2 1 267.421 0.327 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(N)=O)o1 ZINC000304526112 649836663 /nfs/dbraw/zinc/83/66/63/649836663.db2.gz ZMTFXRXZLSCLDF-SNVBAGLBSA-N 2 1 293.371 0.267 20 30 CCEDMP CCCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304743136 649838178 /nfs/dbraw/zinc/83/81/78/649838178.db2.gz CZAXSLYVWJITHV-LBPRGKRZSA-N 2 1 256.394 0.659 20 30 CCEDMP CC(C)(C)[NH2+]CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304755378 649838442 /nfs/dbraw/zinc/83/84/42/649838442.db2.gz MRIGNUAOTZFEAO-UHFFFAOYSA-N 3 1 285.436 0.001 20 30 CCEDMP CC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC1 ZINC000304795806 649839503 /nfs/dbraw/zinc/83/95/03/649839503.db2.gz MMUBYDZKGAZNCD-UHFFFAOYSA-N 2 1 268.405 0.803 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001100418569 790582800 /nfs/dbraw/zinc/58/28/00/790582800.db2.gz AFHPPLKCNCOQOC-NRXISQOPSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CCOCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001266453382 790744267 /nfs/dbraw/zinc/74/42/67/790744267.db2.gz DUNHQGVACLXLFQ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001266453382 790744278 /nfs/dbraw/zinc/74/42/78/790744278.db2.gz DUNHQGVACLXLFQ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001266453382 790744288 /nfs/dbraw/zinc/74/42/88/790744288.db2.gz DUNHQGVACLXLFQ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266544899 790906710 /nfs/dbraw/zinc/90/67/10/790906710.db2.gz KYCZUTCAHYLWNE-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CCC[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267213377 791682193 /nfs/dbraw/zinc/68/21/93/791682193.db2.gz JWBXUZYGQTYGSK-CQSZACIVSA-N 2 1 288.395 0.825 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267213377 791682197 /nfs/dbraw/zinc/68/21/97/791682197.db2.gz JWBXUZYGQTYGSK-CQSZACIVSA-N 2 1 288.395 0.825 20 30 CCEDMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267215997 791686343 /nfs/dbraw/zinc/68/63/43/791686343.db2.gz KBUCNIXRXOVSMP-ZFWWWQNUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001246059678 807137605 /nfs/dbraw/zinc/13/76/05/807137605.db2.gz LSSWLWBHYPDHTK-BFHYXJOUSA-N 2 1 252.358 0.071 20 30 CCEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001277938977 806410291 /nfs/dbraw/zinc/41/02/91/806410291.db2.gz XPBXYKHQBQKMLI-JSGCOSHPSA-N 2 1 288.395 0.824 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150186686 800322684 /nfs/dbraw/zinc/32/26/84/800322684.db2.gz TUBQTHCWEWDWLD-AWEZNQCLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150192697 800323590 /nfs/dbraw/zinc/32/35/90/800323590.db2.gz JDGKTZSJYNTIGL-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154894609 800863024 /nfs/dbraw/zinc/86/30/24/800863024.db2.gz VQYLUWQBNXWYIK-CYBMUJFWSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226371 800935161 /nfs/dbraw/zinc/93/51/61/800935161.db2.gz JWUMCHKPOMPWEW-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226371 800935166 /nfs/dbraw/zinc/93/51/66/800935166.db2.gz JWUMCHKPOMPWEW-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226371 800935172 /nfs/dbraw/zinc/93/51/72/800935172.db2.gz JWUMCHKPOMPWEW-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001156901618 801259678 /nfs/dbraw/zinc/25/96/78/801259678.db2.gz QBKTYNLOMDOPGL-LSDHHAIUSA-N 2 1 295.427 0.415 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001278301321 806915018 /nfs/dbraw/zinc/91/50/18/806915018.db2.gz MGXMRENBXCTPBF-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157887126 801510974 /nfs/dbraw/zinc/51/09/74/801510974.db2.gz RACSGGLNXUEQFC-OAHLLOKOSA-N 2 1 295.427 0.605 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001159335295 801794268 /nfs/dbraw/zinc/79/42/68/801794268.db2.gz XUKZXSSQMHCSRR-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=C)C ZINC001160198187 801918775 /nfs/dbraw/zinc/91/87/75/801918775.db2.gz WDDKFDXIUJFCRD-AWEZNQCLSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=C)C ZINC001160198187 801918772 /nfs/dbraw/zinc/91/87/72/801918772.db2.gz WDDKFDXIUJFCRD-AWEZNQCLSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001163822100 802618452 /nfs/dbraw/zinc/61/84/52/802618452.db2.gz SCENBNBAIDITPV-CQSZACIVSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CCC[N@H+](C)CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001265001148 809691146 /nfs/dbraw/zinc/69/11/46/809691146.db2.gz OXQRKTIWTSEBSJ-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001279573871 809987725 /nfs/dbraw/zinc/98/77/25/809987725.db2.gz KGFKURBPFYNOEU-UHFFFAOYSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001279573871 809987728 /nfs/dbraw/zinc/98/77/28/809987728.db2.gz KGFKURBPFYNOEU-UHFFFAOYSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001279573871 809987731 /nfs/dbraw/zinc/98/77/31/809987731.db2.gz KGFKURBPFYNOEU-UHFFFAOYSA-N 2 1 275.396 0.852 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969435 802778174 /nfs/dbraw/zinc/77/81/74/802778174.db2.gz QWPZFCYSRKHKQK-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166676678 802936410 /nfs/dbraw/zinc/93/64/10/802936410.db2.gz AZULNQHJYHMIRI-CQSZACIVSA-N 2 1 283.416 0.627 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166758888 802958285 /nfs/dbraw/zinc/95/82/85/802958285.db2.gz LLHKZKMKIJXIAC-UHFFFAOYSA-N 2 1 251.374 0.447 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203576279 803035165 /nfs/dbraw/zinc/03/51/65/803035165.db2.gz BTBUNIVKQGHHOU-KBPBESRZSA-N 2 1 277.412 0.978 20 30 CCEDMP N#Cc1cccc(CCC[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206512151 803256189 /nfs/dbraw/zinc/25/61/89/803256189.db2.gz KDSCAZMQCYWVIH-GJZGRUSLSA-N 2 1 259.353 0.742 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206927687 803310408 /nfs/dbraw/zinc/31/04/08/803310408.db2.gz KTMDOWDBHURVSS-CQSZACIVSA-N 2 1 263.385 0.400 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070291 803485068 /nfs/dbraw/zinc/48/50/68/803485068.db2.gz IPJDUTYSISTCJQ-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001088577913 814951209 /nfs/dbraw/zinc/95/12/09/814951209.db2.gz WJDWZXHNUMCZEW-SYQHCUMBSA-N 2 1 263.385 0.539 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210674563 803656954 /nfs/dbraw/zinc/65/69/54/803656954.db2.gz ZEBSEGBNMSCPOF-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399627 803693092 /nfs/dbraw/zinc/69/30/92/803693092.db2.gz CLMWMSMRIDRTII-RBSFLKMASA-N 2 1 297.443 0.964 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399627 803693094 /nfs/dbraw/zinc/69/30/94/803693094.db2.gz CLMWMSMRIDRTII-RBSFLKMASA-N 2 1 297.443 0.964 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213457988 803694858 /nfs/dbraw/zinc/69/48/58/803694858.db2.gz KUUGDDWSUKQNTL-HZSPNIEDSA-N 2 1 283.416 0.718 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213457988 803694862 /nfs/dbraw/zinc/69/48/62/803694862.db2.gz KUUGDDWSUKQNTL-HZSPNIEDSA-N 2 1 283.416 0.718 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213767419 803702309 /nfs/dbraw/zinc/70/23/09/803702309.db2.gz SDYBDKSJXBISEH-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213767419 803702315 /nfs/dbraw/zinc/70/23/15/803702315.db2.gz SDYBDKSJXBISEH-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213767419 803702316 /nfs/dbraw/zinc/70/23/16/803702316.db2.gz SDYBDKSJXBISEH-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213767419 803702321 /nfs/dbraw/zinc/70/23/21/803702321.db2.gz SDYBDKSJXBISEH-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752382 803853900 /nfs/dbraw/zinc/85/39/00/803853900.db2.gz MCTXFDKPOBBIFB-HZSPNIEDSA-N 2 1 263.385 0.398 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581706 804019971 /nfs/dbraw/zinc/01/99/71/804019971.db2.gz HUURDEOLAMQTDF-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805365 804426045 /nfs/dbraw/zinc/42/60/45/804426045.db2.gz DXUQGTLMLTZAIM-ILXRZTDVSA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219875252 804436571 /nfs/dbraw/zinc/43/65/71/804436571.db2.gz WDPGQIKUGAUNEC-MCIONIFRSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227249 804545120 /nfs/dbraw/zinc/54/51/20/804545120.db2.gz LSNHKEBSLMCTAP-OLZOCXBDSA-N 2 1 281.400 0.066 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001220376949 804585737 /nfs/dbraw/zinc/58/57/37/804585737.db2.gz FJWBLWZGZPITMY-AWEZNQCLSA-N 2 1 258.325 0.170 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220582938 804629369 /nfs/dbraw/zinc/62/93/69/804629369.db2.gz LPSPUFNAMVORIR-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001221254815 804759315 /nfs/dbraw/zinc/75/93/15/804759315.db2.gz VFNQLSCASJPHGC-WFASDCNBSA-N 2 1 286.379 0.496 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001276867937 804957100 /nfs/dbraw/zinc/95/71/00/804957100.db2.gz WMLHYRIJPUEVFB-CQSZACIVSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001276867937 804957109 /nfs/dbraw/zinc/95/71/09/804957109.db2.gz WMLHYRIJPUEVFB-CQSZACIVSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276979498 805050308 /nfs/dbraw/zinc/05/03/08/805050308.db2.gz ZIDHSVBJQDQCNG-RHSMWYFYSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)CC ZINC001245999009 807111717 /nfs/dbraw/zinc/11/17/17/807111717.db2.gz IBNIVLMULXRVNR-NEPJUHHUSA-N 2 1 258.362 0.574 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)CCC ZINC001246000174 807111811 /nfs/dbraw/zinc/11/18/11/807111811.db2.gz KTUDQHIMBWUBOH-OLZOCXBDSA-N 2 1 272.389 0.964 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246019735 807119244 /nfs/dbraw/zinc/11/92/44/807119244.db2.gz JNEVBIIJHUANPB-BFHYXJOUSA-N 2 1 254.374 0.304 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001278434139 807175692 /nfs/dbraw/zinc/17/56/92/807175692.db2.gz OOSMJXAOAQOTRY-MRXNPFEDSA-N 2 1 295.427 0.865 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001278434139 807175695 /nfs/dbraw/zinc/17/56/95/807175695.db2.gz OOSMJXAOAQOTRY-MRXNPFEDSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246305099 807215623 /nfs/dbraw/zinc/21/56/23/807215623.db2.gz OOSRBQMTZQOYFP-IXXDHKBRSA-N 3 1 293.411 0.862 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465827 815101620 /nfs/dbraw/zinc/10/16/20/815101620.db2.gz URYMCVJZNZWUSI-ZNMIVQPWSA-N 2 1 293.411 0.066 20 30 CCEDMP C=CCOC1CCC([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246578387 807300068 /nfs/dbraw/zinc/30/00/68/807300068.db2.gz BQIKRARSDFZMQW-ABXWRUBCSA-N 2 1 254.374 0.752 20 30 CCEDMP C#CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001251906592 807743541 /nfs/dbraw/zinc/74/35/41/807743541.db2.gz HUDMWTMUGMGZIP-ZNMIVQPWSA-N 2 1 268.401 0.706 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127077279 815638055 /nfs/dbraw/zinc/63/80/55/815638055.db2.gz BILJSLAUFMFONJ-AWEZNQCLSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001278874105 808411682 /nfs/dbraw/zinc/41/16/82/808411682.db2.gz TWLYEQKPEPKPOQ-LSDHHAIUSA-N 2 1 297.443 0.347 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001278874104 808411778 /nfs/dbraw/zinc/41/17/78/808411778.db2.gz TWLYEQKPEPKPOQ-HUUCEWRRSA-N 2 1 297.443 0.347 20 30 CCEDMP C=CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001278882651 808425161 /nfs/dbraw/zinc/42/51/61/808425161.db2.gz LDFIUVQNQIBQEU-GJZGRUSLSA-N 2 1 297.443 0.655 20 30 CCEDMP C=CCCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278882651 808425167 /nfs/dbraw/zinc/42/51/67/808425167.db2.gz LDFIUVQNQIBQEU-GJZGRUSLSA-N 2 1 297.443 0.655 20 30 CCEDMP C=CCCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001278882651 808425171 /nfs/dbraw/zinc/42/51/71/808425171.db2.gz LDFIUVQNQIBQEU-GJZGRUSLSA-N 2 1 297.443 0.655 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001278922572 808486486 /nfs/dbraw/zinc/48/64/86/808486486.db2.gz HWOIZYIANGEBGL-UHFFFAOYSA-N 2 1 269.389 0.067 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001278922572 808486489 /nfs/dbraw/zinc/48/64/89/808486489.db2.gz HWOIZYIANGEBGL-UHFFFAOYSA-N 2 1 269.389 0.067 20 30 CCEDMP CC#CCN1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001263812179 809574853 /nfs/dbraw/zinc/57/48/53/809574853.db2.gz IOKYGWXMELIXLK-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001263814658 809576338 /nfs/dbraw/zinc/57/63/38/809576338.db2.gz JQDXVDRVYOJBEN-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001263814658 809576339 /nfs/dbraw/zinc/57/63/39/809576339.db2.gz JQDXVDRVYOJBEN-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001263875293 809595819 /nfs/dbraw/zinc/59/58/19/809595819.db2.gz NCUNVYIUZSCEGG-JHJVBQTASA-N 2 1 274.368 0.706 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001264410236 809652665 /nfs/dbraw/zinc/65/26/65/809652665.db2.gz LDYNYQVPGDEWCW-MELADBBJSA-N 2 1 263.385 0.446 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001264416960 809654746 /nfs/dbraw/zinc/65/47/46/809654746.db2.gz KAGSBXQITNIYCE-IHRRRGAJSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001265691779 809826179 /nfs/dbraw/zinc/82/61/79/809826179.db2.gz RNQZRMNLCKYSKX-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(C)CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509221 809984604 /nfs/dbraw/zinc/98/46/04/809984604.db2.gz IPVIUAINMRWEJV-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027886851 812119087 /nfs/dbraw/zinc/11/90/87/812119087.db2.gz YTGCHCOFZATHOH-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028996164 813736438 /nfs/dbraw/zinc/73/64/38/813736438.db2.gz BGZXZWCSNSGZDQ-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028996164 813736440 /nfs/dbraw/zinc/73/64/40/813736440.db2.gz BGZXZWCSNSGZDQ-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028996164 813736443 /nfs/dbraw/zinc/73/64/43/813736443.db2.gz BGZXZWCSNSGZDQ-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028996164 813736444 /nfs/dbraw/zinc/73/64/44/813736444.db2.gz BGZXZWCSNSGZDQ-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001270625630 813849728 /nfs/dbraw/zinc/84/97/28/813849728.db2.gz ZJHKGJQWMDNYNG-CQSZACIVSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001270642410 813867106 /nfs/dbraw/zinc/86/71/06/813867106.db2.gz LTMIEKIBOSWPDB-MRXNPFEDSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001270642410 813867112 /nfs/dbraw/zinc/86/71/12/813867112.db2.gz LTMIEKIBOSWPDB-MRXNPFEDSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC ZINC001270995405 814111328 /nfs/dbraw/zinc/11/13/28/814111328.db2.gz JZRXMTAPLKYDKI-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC ZINC001270995405 814111333 /nfs/dbraw/zinc/11/13/33/814111333.db2.gz JZRXMTAPLKYDKI-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087827619 814225668 /nfs/dbraw/zinc/22/56/68/814225668.db2.gz BXGPKKAKNHEBRU-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087827619 814225675 /nfs/dbraw/zinc/22/56/75/814225675.db2.gz BXGPKKAKNHEBRU-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087827619 814225684 /nfs/dbraw/zinc/22/56/84/814225684.db2.gz BXGPKKAKNHEBRU-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836793 814230228 /nfs/dbraw/zinc/23/02/28/814230228.db2.gz IMGZJTFJXSAZGD-ZNMIVQPWSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836793 814230235 /nfs/dbraw/zinc/23/02/35/814230235.db2.gz IMGZJTFJXSAZGD-ZNMIVQPWSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001087836793 814230240 /nfs/dbraw/zinc/23/02/40/814230240.db2.gz IMGZJTFJXSAZGD-ZNMIVQPWSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001087836793 814230247 /nfs/dbraw/zinc/23/02/47/814230247.db2.gz IMGZJTFJXSAZGD-ZNMIVQPWSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001271193216 814329788 /nfs/dbraw/zinc/32/97/88/814329788.db2.gz SYQYEADXEHPHNV-INIZCTEOSA-N 2 1 297.443 0.703 20 30 CCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001271193216 814329794 /nfs/dbraw/zinc/32/97/94/814329794.db2.gz SYQYEADXEHPHNV-INIZCTEOSA-N 2 1 297.443 0.703 20 30 CCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001271193216 814329798 /nfs/dbraw/zinc/32/97/98/814329798.db2.gz SYQYEADXEHPHNV-INIZCTEOSA-N 2 1 297.443 0.703 20 30 CCEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001271929861 814633275 /nfs/dbraw/zinc/63/32/75/814633275.db2.gz FADRJHLYUNXHLX-CHWSQXEVSA-N 2 1 253.390 0.855 20 30 CCEDMP CC#CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001271930542 814633285 /nfs/dbraw/zinc/63/32/85/814633285.db2.gz TXVQWRUCGGLOFR-CQSZACIVSA-N 2 1 276.384 0.945 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271988538 814665981 /nfs/dbraw/zinc/66/59/81/814665981.db2.gz UYMKAWLLUCNYBD-GOEBONIOSA-N 2 1 295.427 0.293 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271988538 814665984 /nfs/dbraw/zinc/66/59/84/814665984.db2.gz UYMKAWLLUCNYBD-GOEBONIOSA-N 2 1 295.427 0.293 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257364 816493138 /nfs/dbraw/zinc/49/31/38/816493138.db2.gz XWXMVRKKKFOQLK-CABCVRRESA-N 2 1 295.427 0.769 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235354202 816866374 /nfs/dbraw/zinc/86/63/74/816866374.db2.gz KPVLAZPSDVDRCA-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCC3CC3)C2)CC1 ZINC001031435163 817052063 /nfs/dbraw/zinc/05/20/63/817052063.db2.gz RNRRJXYFASZVPX-UHFFFAOYSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031774540 817356943 /nfs/dbraw/zinc/35/69/43/817356943.db2.gz AWBJQXWZLPPLIK-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976507 817515102 /nfs/dbraw/zinc/51/51/02/817515102.db2.gz NHEPTMXXKNMUOI-GXTWGEPZSA-N 2 1 263.385 0.255 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986666 817574527 /nfs/dbraw/zinc/57/45/27/817574527.db2.gz ZIBGQYGFCMVWEF-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001272721191 817591885 /nfs/dbraw/zinc/59/18/85/817591885.db2.gz OPVBZZNBJBJQHH-KKUMJFAQSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001272721191 817591894 /nfs/dbraw/zinc/59/18/94/817591894.db2.gz OPVBZZNBJBJQHH-KKUMJFAQSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833213 818529455 /nfs/dbraw/zinc/52/94/55/818529455.db2.gz OYAKSWKVXHLZOW-CABCVRRESA-N 2 1 295.427 0.456 20 30 CCEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001273090906 818592140 /nfs/dbraw/zinc/59/21/40/818592140.db2.gz QFAXSHRZNJQDPG-CYBMUJFWSA-N 2 1 297.362 0.999 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033415905 818763111 /nfs/dbraw/zinc/76/31/11/818763111.db2.gz MJUBZTHPFFADIO-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033415905 818763119 /nfs/dbraw/zinc/76/31/19/818763119.db2.gz MJUBZTHPFFADIO-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033415905 818763126 /nfs/dbraw/zinc/76/31/26/818763126.db2.gz MJUBZTHPFFADIO-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033415905 818763133 /nfs/dbraw/zinc/76/31/33/818763133.db2.gz MJUBZTHPFFADIO-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001044865891 818813058 /nfs/dbraw/zinc/81/30/58/818813058.db2.gz RWELASQCNYTQCA-TZMCWYRMSA-N 2 1 274.368 0.794 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033660595 818882103 /nfs/dbraw/zinc/88/21/03/818882103.db2.gz IVHARCJWWDSDTA-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033660595 818882108 /nfs/dbraw/zinc/88/21/08/818882108.db2.gz IVHARCJWWDSDTA-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033660595 818882114 /nfs/dbraw/zinc/88/21/14/818882114.db2.gz IVHARCJWWDSDTA-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001033786849 818935008 /nfs/dbraw/zinc/93/50/08/818935008.db2.gz ACESVRWGDYFMKT-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128783132 819007945 /nfs/dbraw/zinc/00/79/45/819007945.db2.gz FTOBAJJVLXTXPI-CQSZACIVSA-N 2 1 283.416 0.769 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128784306 819015498 /nfs/dbraw/zinc/01/54/98/819015498.db2.gz LPBOSQUQJFQIAP-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCO)C1 ZINC001034250364 819135310 /nfs/dbraw/zinc/13/53/10/819135310.db2.gz SVCXEUIMZZXHIE-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034485165 819219386 /nfs/dbraw/zinc/21/93/86/819219386.db2.gz COCVFQYMHSIUTC-AWEZNQCLSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001034692624 819299322 /nfs/dbraw/zinc/29/93/22/819299322.db2.gz LMSMNZLMJCHMME-HDJSIYSDSA-N 2 1 274.368 0.842 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001080328561 820550224 /nfs/dbraw/zinc/55/02/24/820550224.db2.gz RHSMWEFCXROHOY-CBBWQLFWSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001080328561 820550227 /nfs/dbraw/zinc/55/02/27/820550227.db2.gz RHSMWEFCXROHOY-CBBWQLFWSA-N 2 1 277.412 0.786 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001080782872 820630635 /nfs/dbraw/zinc/63/06/35/820630635.db2.gz FNSXWXASLPDBLE-DGCLKSJQSA-N 2 1 262.357 0.585 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080939778 820657927 /nfs/dbraw/zinc/65/79/27/820657927.db2.gz JMGHBHNXZVWQLP-HZSPNIEDSA-N 2 1 263.385 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080939778 820657934 /nfs/dbraw/zinc/65/79/34/820657934.db2.gz JMGHBHNXZVWQLP-HZSPNIEDSA-N 2 1 263.385 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080939778 820657938 /nfs/dbraw/zinc/65/79/38/820657938.db2.gz JMGHBHNXZVWQLP-HZSPNIEDSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066493 820893374 /nfs/dbraw/zinc/89/33/74/820893374.db2.gz VCOUECYNGGXMCZ-BYNSBNAKSA-N 2 1 293.411 0.165 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066493 820893385 /nfs/dbraw/zinc/89/33/85/820893385.db2.gz VCOUECYNGGXMCZ-BYNSBNAKSA-N 2 1 293.411 0.165 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066493 820893391 /nfs/dbraw/zinc/89/33/91/820893391.db2.gz VCOUECYNGGXMCZ-BYNSBNAKSA-N 2 1 293.411 0.165 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066493 820893402 /nfs/dbraw/zinc/89/34/02/820893402.db2.gz VCOUECYNGGXMCZ-BYNSBNAKSA-N 2 1 293.411 0.165 20 30 CCEDMP C=CCN1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133491 820904876 /nfs/dbraw/zinc/90/48/76/820904876.db2.gz DTZWFRVXBGPTCJ-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001084091636 821199268 /nfs/dbraw/zinc/19/92/68/821199268.db2.gz GZZLWNXNKWBPJV-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091636 821199271 /nfs/dbraw/zinc/19/92/71/821199271.db2.gz GZZLWNXNKWBPJV-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091636 821199274 /nfs/dbraw/zinc/19/92/74/821199274.db2.gz GZZLWNXNKWBPJV-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357184 821279175 /nfs/dbraw/zinc/27/91/75/821279175.db2.gz NIDYYYAZKBBLBR-QKPAOTATSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357184 821279178 /nfs/dbraw/zinc/27/91/78/821279178.db2.gz NIDYYYAZKBBLBR-QKPAOTATSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357184 821279182 /nfs/dbraw/zinc/27/91/82/821279182.db2.gz NIDYYYAZKBBLBR-QKPAOTATSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357184 821279188 /nfs/dbraw/zinc/27/91/88/821279188.db2.gz NIDYYYAZKBBLBR-QKPAOTATSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cncc3C)[C@@H]2C1 ZINC001084522023 821303955 /nfs/dbraw/zinc/30/39/55/821303955.db2.gz GKPMIZJKMHJHPK-HUUCEWRRSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001084522023 821303973 /nfs/dbraw/zinc/30/39/73/821303973.db2.gz GKPMIZJKMHJHPK-HUUCEWRRSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085428912 821682923 /nfs/dbraw/zinc/68/29/23/821682923.db2.gz XLJLUYGDVNTTHW-KFWWJZLASA-N 2 1 293.411 0.357 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001085428912 821682926 /nfs/dbraw/zinc/68/29/26/821682926.db2.gz XLJLUYGDVNTTHW-KFWWJZLASA-N 2 1 293.411 0.357 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085518326 821764360 /nfs/dbraw/zinc/76/43/60/821764360.db2.gz OZQOUNPWUYFCOF-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001085518326 821764361 /nfs/dbraw/zinc/76/43/61/821764361.db2.gz OZQOUNPWUYFCOF-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001085518326 821764362 /nfs/dbraw/zinc/76/43/62/821764362.db2.gz OZQOUNPWUYFCOF-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C=CCN1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001108213595 821982892 /nfs/dbraw/zinc/98/28/92/821982892.db2.gz PJNJHKOXUWAUFA-GDBMZVCRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCN1CCO[C@](C)(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001108213595 821982898 /nfs/dbraw/zinc/98/28/98/821982898.db2.gz PJNJHKOXUWAUFA-GDBMZVCRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001086122554 822120287 /nfs/dbraw/zinc/12/02/87/822120287.db2.gz PMYIJTILSVUAFJ-HZSPNIEDSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086276082 822183664 /nfs/dbraw/zinc/18/36/64/822183664.db2.gz BCTXXSAJMSSUFW-MJBXVCDLSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086276082 822183671 /nfs/dbraw/zinc/18/36/71/822183671.db2.gz BCTXXSAJMSSUFW-MJBXVCDLSA-N 2 1 281.400 0.378 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132272801 838352270 /nfs/dbraw/zinc/35/22/70/838352270.db2.gz BSPPTTVAFXBVTP-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132367608 838373260 /nfs/dbraw/zinc/37/32/60/838373260.db2.gz DCORYDSJXFBMSJ-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001135272491 839192684 /nfs/dbraw/zinc/19/26/84/839192684.db2.gz QZEJIXSRPCHVKX-CQSZACIVSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090541771 839628480 /nfs/dbraw/zinc/62/84/80/839628480.db2.gz XYIBMJMCENIZLI-KBPBESRZSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730093 839759849 /nfs/dbraw/zinc/75/98/49/839759849.db2.gz FWZCNRDPXAFMHJ-KBPBESRZSA-N 2 1 293.411 0.210 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001090954675 839913660 /nfs/dbraw/zinc/91/36/60/839913660.db2.gz LCFOTCVWYIDDLZ-BPCQOVAHSA-N 2 1 251.374 0.751 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146594781 840331782 /nfs/dbraw/zinc/33/17/82/840331782.db2.gz UTCVHGXPRKQCBJ-QWHCGFSZSA-N 2 1 253.390 0.833 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186367117 844543728 /nfs/dbraw/zinc/54/37/28/844543728.db2.gz LUBQFUGNPJCEAR-CQSZACIVSA-N 2 1 281.400 0.475 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086873338 840933474 /nfs/dbraw/zinc/93/34/74/840933474.db2.gz CNJGHJXAUXEIOJ-BFHYXJOUSA-N 2 1 263.385 0.446 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203067 841000530 /nfs/dbraw/zinc/00/05/30/841000530.db2.gz BJNBFNWSRUTXOZ-ZBFHGGJFSA-N 2 1 287.407 0.496 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092198516 841001654 /nfs/dbraw/zinc/00/16/54/841001654.db2.gz PZZNJBARSWKXOL-UXLLHSPISA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198516 841001658 /nfs/dbraw/zinc/00/16/58/841001658.db2.gz PZZNJBARSWKXOL-UXLLHSPISA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198516 841001665 /nfs/dbraw/zinc/00/16/65/841001665.db2.gz PZZNJBARSWKXOL-UXLLHSPISA-N 2 1 289.423 0.742 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181821990 843622253 /nfs/dbraw/zinc/62/22/53/843622253.db2.gz LWRMKHWNSZGMBD-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181821990 843622257 /nfs/dbraw/zinc/62/22/57/843622257.db2.gz LWRMKHWNSZGMBD-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151740264 845001772 /nfs/dbraw/zinc/00/17/72/845001772.db2.gz RFNMCTSVIZGPGV-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151740264 845001785 /nfs/dbraw/zinc/00/17/85/845001785.db2.gz RFNMCTSVIZGPGV-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515920 845154938 /nfs/dbraw/zinc/15/49/38/845154938.db2.gz CXFTUGQXUOFZQQ-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515920 845154942 /nfs/dbraw/zinc/15/49/42/845154942.db2.gz CXFTUGQXUOFZQQ-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189515920 845154946 /nfs/dbraw/zinc/15/49/46/845154946.db2.gz CXFTUGQXUOFZQQ-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189515920 845154949 /nfs/dbraw/zinc/15/49/49/845154949.db2.gz CXFTUGQXUOFZQQ-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517260 845155072 /nfs/dbraw/zinc/15/50/72/845155072.db2.gz PBABBRGMNAOXJR-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517260 845155074 /nfs/dbraw/zinc/15/50/74/845155074.db2.gz PBABBRGMNAOXJR-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189517260 845155076 /nfs/dbraw/zinc/15/50/76/845155076.db2.gz PBABBRGMNAOXJR-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189517260 845155078 /nfs/dbraw/zinc/15/50/78/845155078.db2.gz PBABBRGMNAOXJR-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191376507 845643978 /nfs/dbraw/zinc/64/39/78/845643978.db2.gz RPPOAQMKLLUYDU-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191376507 845643983 /nfs/dbraw/zinc/64/39/83/845643983.db2.gz RPPOAQMKLLUYDU-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126754 845673113 /nfs/dbraw/zinc/67/31/13/845673113.db2.gz UEZJFMASCZZKKI-NHAGDIPZSA-N 2 1 281.400 0.187 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192353225 845827835 /nfs/dbraw/zinc/82/78/35/845827835.db2.gz BRKGBISQBQCHEO-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001192353225 845827841 /nfs/dbraw/zinc/82/78/41/845827841.db2.gz BRKGBISQBQCHEO-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001192353225 845827847 /nfs/dbraw/zinc/82/78/47/845827847.db2.gz BRKGBISQBQCHEO-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001192355217 845828375 /nfs/dbraw/zinc/82/83/75/845828375.db2.gz PROZHWRHPKEXRW-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192355217 845828381 /nfs/dbraw/zinc/82/83/81/845828381.db2.gz PROZHWRHPKEXRW-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192355217 845828388 /nfs/dbraw/zinc/82/83/88/845828388.db2.gz PROZHWRHPKEXRW-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002769 846194647 /nfs/dbraw/zinc/19/46/47/846194647.db2.gz YUELTDQJPBZHKI-LSDHHAIUSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002769 846194652 /nfs/dbraw/zinc/19/46/52/846194652.db2.gz YUELTDQJPBZHKI-LSDHHAIUSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002769 846194659 /nfs/dbraw/zinc/19/46/59/846194659.db2.gz YUELTDQJPBZHKI-LSDHHAIUSA-N 2 1 293.411 0.121 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196275497 846721266 /nfs/dbraw/zinc/72/12/66/846721266.db2.gz CJNQYGFYGCGQOF-FRRDWIJNSA-N 2 1 269.389 0.064 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001196498101 846764551 /nfs/dbraw/zinc/76/45/51/846764551.db2.gz ASGUHOLFWHQJMM-BFHYXJOUSA-N 2 1 292.383 0.572 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196942669 846823814 /nfs/dbraw/zinc/82/38/14/846823814.db2.gz GNWUAGBVQZHSCY-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196942669 846823817 /nfs/dbraw/zinc/82/38/17/846823817.db2.gz GNWUAGBVQZHSCY-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001201631150 847795305 /nfs/dbraw/zinc/79/53/05/847795305.db2.gz ATYAFHXTOHMXMS-UHFFFAOYSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202067464 847853397 /nfs/dbraw/zinc/85/33/97/847853397.db2.gz FMRDSLCLILMFKF-AWEZNQCLSA-N 2 1 290.367 0.032 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664733 847952412 /nfs/dbraw/zinc/95/24/12/847952412.db2.gz VHXSHWUEDGKSTJ-MCIONIFRSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664733 847952418 /nfs/dbraw/zinc/95/24/18/847952418.db2.gz VHXSHWUEDGKSTJ-MCIONIFRSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114400001 848034425 /nfs/dbraw/zinc/03/44/25/848034425.db2.gz AZGPOAKHUPVEDR-ITGUQSILSA-N 2 1 261.369 0.150 20 30 CCEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001274544175 848500435 /nfs/dbraw/zinc/50/04/35/848500435.db2.gz PPAAKKMLINEKAC-CQSZACIVSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001275174855 848658065 /nfs/dbraw/zinc/65/80/65/848658065.db2.gz AQCILCUUKQEEAQ-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001275174855 848658071 /nfs/dbraw/zinc/65/80/71/848658071.db2.gz AQCILCUUKQEEAQ-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001275174855 848658078 /nfs/dbraw/zinc/65/80/78/848658078.db2.gz AQCILCUUKQEEAQ-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001275976325 848877951 /nfs/dbraw/zinc/87/79/51/848877951.db2.gz BSUVQPYCSBFHME-STQMWFEESA-N 2 1 253.390 0.642 20 30 CCEDMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001276003801 848887806 /nfs/dbraw/zinc/88/78/06/848887806.db2.gz UGGVYFAPHRTOFP-CABCVRRESA-N 2 1 297.443 0.967 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042356925 850619707 /nfs/dbraw/zinc/61/97/07/850619707.db2.gz JLVYKNPFCPATEW-LSDHHAIUSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001044782744 851157059 /nfs/dbraw/zinc/15/70/59/851157059.db2.gz ZXKBDBCFPVKTTQ-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046319706 851464509 /nfs/dbraw/zinc/46/45/09/851464509.db2.gz VLSCPSDLPGCSED-DOTOQJQBSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046329264 851467566 /nfs/dbraw/zinc/46/75/66/851467566.db2.gz NJNDMWDAIWAFNJ-IIAWOOMASA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587183 851557040 /nfs/dbraw/zinc/55/70/40/851557040.db2.gz AZYAYJHPOSYGSN-MRXNPFEDSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001047527282 851801439 /nfs/dbraw/zinc/80/14/39/851801439.db2.gz AVPVHQBAHAWGHD-ILXRZTDVSA-N 2 1 295.427 0.408 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047596610 851829938 /nfs/dbraw/zinc/82/99/38/851829938.db2.gz UJGSEVKGUCBKDR-ILXRZTDVSA-N 2 1 295.427 0.408 20 30 CCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001047596610 851829943 /nfs/dbraw/zinc/82/99/43/851829943.db2.gz UJGSEVKGUCBKDR-ILXRZTDVSA-N 2 1 295.427 0.408 20 30 CCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001047596610 851829948 /nfs/dbraw/zinc/82/99/48/851829948.db2.gz UJGSEVKGUCBKDR-ILXRZTDVSA-N 2 1 295.427 0.408 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)Cn3ccnc3C)C[C@H]2C1 ZINC001049215885 852195731 /nfs/dbraw/zinc/19/57/31/852195731.db2.gz OOBHOPAYEMJPSS-OKILXGFUSA-N 2 1 274.368 0.768 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001049215885 852195733 /nfs/dbraw/zinc/19/57/33/852195733.db2.gz OOBHOPAYEMJPSS-OKILXGFUSA-N 2 1 274.368 0.768 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001049215885 852195739 /nfs/dbraw/zinc/19/57/39/852195739.db2.gz OOBHOPAYEMJPSS-OKILXGFUSA-N 2 1 274.368 0.768 20 30 CCEDMP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001049646045 852330691 /nfs/dbraw/zinc/33/06/91/852330691.db2.gz OXMQSTRJAKQSBK-SOUVJXGZSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049646045 852330697 /nfs/dbraw/zinc/33/06/97/852330697.db2.gz OXMQSTRJAKQSBK-SOUVJXGZSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049646045 852330708 /nfs/dbraw/zinc/33/07/08/852330708.db2.gz OXMQSTRJAKQSBK-SOUVJXGZSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100343323 852494003 /nfs/dbraw/zinc/49/40/03/852494003.db2.gz AACJADMCXFBAJS-XSCHDIRWSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072751758 854457036 /nfs/dbraw/zinc/45/70/36/854457036.db2.gz CFBAHJDEQPRNJN-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001072751758 854457042 /nfs/dbraw/zinc/45/70/42/854457042.db2.gz CFBAHJDEQPRNJN-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001072751758 854457052 /nfs/dbraw/zinc/45/70/52/854457052.db2.gz CFBAHJDEQPRNJN-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001072981279 854507479 /nfs/dbraw/zinc/50/74/79/854507479.db2.gz CGVMIMMKSWNOEU-HUUCEWRRSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072981279 854507482 /nfs/dbraw/zinc/50/74/82/854507482.db2.gz CGVMIMMKSWNOEU-HUUCEWRRSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072981279 854507483 /nfs/dbraw/zinc/50/74/83/854507483.db2.gz CGVMIMMKSWNOEU-HUUCEWRRSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001073427879 854558282 /nfs/dbraw/zinc/55/82/82/854558282.db2.gz LELJCXSQHFNHGG-ZDUSSCGKSA-N 2 1 261.369 0.106 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073427879 854558285 /nfs/dbraw/zinc/55/82/85/854558285.db2.gz LELJCXSQHFNHGG-ZDUSSCGKSA-N 2 1 261.369 0.106 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073427879 854558291 /nfs/dbraw/zinc/55/82/91/854558291.db2.gz LELJCXSQHFNHGG-ZDUSSCGKSA-N 2 1 261.369 0.106 20 30 CCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073890334 854659215 /nfs/dbraw/zinc/65/92/15/854659215.db2.gz CGXFKCBLUDBWBD-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073890334 854659223 /nfs/dbraw/zinc/65/92/23/854659223.db2.gz CGXFKCBLUDBWBD-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073890334 854659228 /nfs/dbraw/zinc/65/92/28/854659228.db2.gz CGXFKCBLUDBWBD-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073891317 854659762 /nfs/dbraw/zinc/65/97/62/854659762.db2.gz OHQZRXKUGXEMIK-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073891317 854659766 /nfs/dbraw/zinc/65/97/66/854659766.db2.gz OHQZRXKUGXEMIK-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073891317 854659771 /nfs/dbraw/zinc/65/97/71/854659771.db2.gz OHQZRXKUGXEMIK-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879710 855016196 /nfs/dbraw/zinc/01/61/96/855016196.db2.gz OMHAGOREVPYIFK-UONOGXRCSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879710 855016201 /nfs/dbraw/zinc/01/62/01/855016201.db2.gz OMHAGOREVPYIFK-UONOGXRCSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879710 855016210 /nfs/dbraw/zinc/01/62/10/855016210.db2.gz OMHAGOREVPYIFK-UONOGXRCSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971682 855056231 /nfs/dbraw/zinc/05/62/31/855056231.db2.gz LAMQKQDQQJQDHR-ZIAGYGMSSA-N 2 1 295.427 0.456 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001100681142 855207781 /nfs/dbraw/zinc/20/77/81/855207781.db2.gz YCIUUBGQCNPENC-UHFFFAOYSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102337684 855428768 /nfs/dbraw/zinc/42/87/68/855428768.db2.gz OKNAIAABLJFCCQ-RBSFLKMASA-N 2 1 279.428 0.890 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103997948 855560432 /nfs/dbraw/zinc/56/04/32/855560432.db2.gz DKHRYZNWWRFXIX-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111788931 855593513 /nfs/dbraw/zinc/59/35/13/855593513.db2.gz PQFUBEZMKOJTAJ-LZWOXQAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114997378 855633751 /nfs/dbraw/zinc/63/37/51/855633751.db2.gz KEGLZWNYEJZCBD-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001115159661 855648268 /nfs/dbraw/zinc/64/82/68/855648268.db2.gz IXBASUHQXJRWIQ-FOLVSLTJSA-N 2 1 293.411 0.024 20 30 CCEDMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001115159661 855648270 /nfs/dbraw/zinc/64/82/70/855648270.db2.gz IXBASUHQXJRWIQ-FOLVSLTJSA-N 2 1 293.411 0.024 20 30 CCEDMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001115159661 855648274 /nfs/dbraw/zinc/64/82/74/855648274.db2.gz IXBASUHQXJRWIQ-FOLVSLTJSA-N 2 1 293.411 0.024 20 30 CCEDMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC001118060425 856149907 /nfs/dbraw/zinc/14/99/07/856149907.db2.gz BJHADERBUVBAJL-AWEZNQCLSA-N 2 1 295.431 0.103 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001323337518 912283520 /nfs/dbraw/zinc/28/35/20/912283520.db2.gz WZRUZBBTPBETFV-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001323337518 912283531 /nfs/dbraw/zinc/28/35/31/912283531.db2.gz WZRUZBBTPBETFV-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001323337518 912283540 /nfs/dbraw/zinc/28/35/40/912283540.db2.gz WZRUZBBTPBETFV-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001323337518 912283553 /nfs/dbraw/zinc/28/35/53/912283553.db2.gz WZRUZBBTPBETFV-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[NH+]1CCC(C)(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001324336033 912784644 /nfs/dbraw/zinc/78/46/44/912784644.db2.gz UKICFPKUZFMPRG-UHFFFAOYSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001324642486 912960002 /nfs/dbraw/zinc/96/00/02/912960002.db2.gz WRALNAPDPKIGGS-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001325162353 913251347 /nfs/dbraw/zinc/25/13/47/913251347.db2.gz SWPCLLAZLXTADC-INIZCTEOSA-N 2 1 295.427 0.601 20 30 CCEDMP C#CCC[N@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001480865127 891430605 /nfs/dbraw/zinc/43/06/05/891430605.db2.gz CMSCHZCBHJGPLP-UHFFFAOYSA-N 2 1 291.399 0.130 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481447860 892673149 /nfs/dbraw/zinc/67/31/49/892673149.db2.gz UORSEDPBJQVQTM-AWEZNQCLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001482152715 893443218 /nfs/dbraw/zinc/44/32/18/893443218.db2.gz WCMNUZJIZLSKIG-CQSZACIVSA-N 2 1 281.400 0.074 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#CC ZINC001482299322 893804552 /nfs/dbraw/zinc/80/45/52/893804552.db2.gz YGIPWCHZHIJNKW-GJZGRUSLSA-N 2 1 275.396 0.544 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#CC ZINC001482299322 893804570 /nfs/dbraw/zinc/80/45/70/893804570.db2.gz YGIPWCHZHIJNKW-GJZGRUSLSA-N 2 1 275.396 0.544 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[N@H+](C)CC ZINC001482351751 893906704 /nfs/dbraw/zinc/90/67/04/893906704.db2.gz XEMAOPWHLVSYQH-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C=CC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001482624968 894428112 /nfs/dbraw/zinc/42/81/12/894428112.db2.gz CWPHODATFOLXSL-UHFFFAOYSA-N 2 1 253.390 0.904 20 30 CCEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001482848427 894648414 /nfs/dbraw/zinc/64/84/14/894648414.db2.gz ZOJBESAADQCNPM-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483050850 894851188 /nfs/dbraw/zinc/85/11/88/894851188.db2.gz MATQRLZQEBEMOI-LAWSMPECSA-N 2 1 263.385 0.612 20 30 CCEDMP C#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001483340204 895479848 /nfs/dbraw/zinc/47/98/48/895479848.db2.gz PCHBFHJNXSGRFV-MELADBBJSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001483340204 895479852 /nfs/dbraw/zinc/47/98/52/895479852.db2.gz PCHBFHJNXSGRFV-MELADBBJSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001483340204 895479856 /nfs/dbraw/zinc/47/98/56/895479856.db2.gz PCHBFHJNXSGRFV-MELADBBJSA-N 2 1 265.401 0.786 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCOCC1 ZINC001484190605 896223589 /nfs/dbraw/zinc/22/35/89/896223589.db2.gz VZSBSOKUNOGHBU-UHFFFAOYSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001484544002 896463793 /nfs/dbraw/zinc/46/37/93/896463793.db2.gz SEKOGKBZLUARQN-HNNXBMFYSA-N 2 1 295.427 0.723 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCc2cncn2C)C[C@@H]1C ZINC001484986160 896695583 /nfs/dbraw/zinc/69/55/83/896695583.db2.gz PXZNOTOEMFHRSX-KBPBESRZSA-N 2 1 288.395 0.955 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001485386233 897026032 /nfs/dbraw/zinc/02/60/32/897026032.db2.gz DKWYDCYWKPPYBS-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001485386233 897026046 /nfs/dbraw/zinc/02/60/46/897026046.db2.gz DKWYDCYWKPPYBS-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001485386233 897026008 /nfs/dbraw/zinc/02/60/08/897026008.db2.gz DKWYDCYWKPPYBS-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001485386233 897026022 /nfs/dbraw/zinc/02/60/22/897026022.db2.gz DKWYDCYWKPPYBS-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001032475053 897618967 /nfs/dbraw/zinc/61/89/67/897618967.db2.gz VCFZMZNNUAEHSN-MELADBBJSA-N 2 1 263.385 0.635 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001032475053 897618974 /nfs/dbraw/zinc/61/89/74/897618974.db2.gz VCFZMZNNUAEHSN-MELADBBJSA-N 2 1 263.385 0.635 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212424519 897955863 /nfs/dbraw/zinc/95/58/63/897955863.db2.gz PFQUUYAELHBJIX-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212424519 897955871 /nfs/dbraw/zinc/95/58/71/897955871.db2.gz PFQUUYAELHBJIX-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212424519 897955876 /nfs/dbraw/zinc/95/58/76/897955876.db2.gz PFQUUYAELHBJIX-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212424519 897955886 /nfs/dbraw/zinc/95/58/86/897955886.db2.gz PFQUUYAELHBJIX-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001486295644 898762065 /nfs/dbraw/zinc/76/20/65/898762065.db2.gz PTGUIAVBTPCJGM-LSDHHAIUSA-N 2 1 297.443 0.703 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001486295066 898763038 /nfs/dbraw/zinc/76/30/38/898763038.db2.gz DPSCCEYPFMUTFA-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001486308077 898771846 /nfs/dbraw/zinc/77/18/46/898771846.db2.gz AGXYPRPPVHEXDC-AWEZNQCLSA-N 2 1 299.459 0.949 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCO1 ZINC001280628366 899901157 /nfs/dbraw/zinc/90/11/57/899901157.db2.gz JOVKXEICSLQNIS-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390124 900011262 /nfs/dbraw/zinc/01/12/62/900011262.db2.gz NHHRDIOFEBPRPG-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189390124 900011269 /nfs/dbraw/zinc/01/12/69/900011269.db2.gz NHHRDIOFEBPRPG-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189390124 900011281 /nfs/dbraw/zinc/01/12/81/900011281.db2.gz NHHRDIOFEBPRPG-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001283554521 904907033 /nfs/dbraw/zinc/90/70/33/904907033.db2.gz RJOALZGYDOOIOS-ZFWWWQNUSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001283823381 905036121 /nfs/dbraw/zinc/03/61/21/905036121.db2.gz GTPPAOMMFXBOTP-HOCLYGCPSA-N 2 1 295.427 0.505 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001378536301 905667501 /nfs/dbraw/zinc/66/75/01/905667501.db2.gz FBSXKLQMGWBLQI-ZYHUDNBSSA-N 2 1 289.807 0.411 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001378536301 905667514 /nfs/dbraw/zinc/66/75/14/905667514.db2.gz FBSXKLQMGWBLQI-ZYHUDNBSSA-N 2 1 289.807 0.411 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001491642066 907477607 /nfs/dbraw/zinc/47/76/07/907477607.db2.gz XUQMKNCJIDZGAT-QWHCGFSZSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CC[N@@H+](CC)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001316907420 908835096 /nfs/dbraw/zinc/83/50/96/908835096.db2.gz OCQDXQPDXWFNRU-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](CC)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001316907420 908835112 /nfs/dbraw/zinc/83/51/12/908835112.db2.gz OCQDXQPDXWFNRU-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](CC)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001316907420 908835124 /nfs/dbraw/zinc/83/51/24/908835124.db2.gz OCQDXQPDXWFNRU-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001316956542 908866772 /nfs/dbraw/zinc/86/67/72/908866772.db2.gz RGUFSJYEKAJHTJ-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001316956542 908866787 /nfs/dbraw/zinc/86/67/87/908866787.db2.gz RGUFSJYEKAJHTJ-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317010305 908915163 /nfs/dbraw/zinc/91/51/63/908915163.db2.gz DMYQJJSTKVWRLH-CABCVRRESA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317010305 908915176 /nfs/dbraw/zinc/91/51/76/908915176.db2.gz DMYQJJSTKVWRLH-CABCVRRESA-N 2 1 295.427 0.768 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001317310207 909134999 /nfs/dbraw/zinc/13/49/99/909134999.db2.gz HTPXTHMIYCCIBP-AWEZNQCLSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317830847 909517390 /nfs/dbraw/zinc/51/73/90/909517390.db2.gz KYULLWFZVGUXHG-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317830847 909517401 /nfs/dbraw/zinc/51/74/01/909517401.db2.gz KYULLWFZVGUXHG-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317830847 909517411 /nfs/dbraw/zinc/51/74/11/909517411.db2.gz KYULLWFZVGUXHG-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001318074249 909610257 /nfs/dbraw/zinc/61/02/57/909610257.db2.gz MQUCKROKCLBPNN-UHFFFAOYSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001318483084 909773168 /nfs/dbraw/zinc/77/31/68/909773168.db2.gz OZBVLQRDTSAXQE-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001319131968 909998445 /nfs/dbraw/zinc/99/84/45/909998445.db2.gz FABLMQYBAIKLCN-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001319131968 909998465 /nfs/dbraw/zinc/99/84/65/909998465.db2.gz FABLMQYBAIKLCN-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC#CC ZINC001319198854 910034370 /nfs/dbraw/zinc/03/43/70/910034370.db2.gz YYHSPUAXSXDNFY-GJZGRUSLSA-N 2 1 275.396 0.449 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC#CC ZINC001319198854 910034392 /nfs/dbraw/zinc/03/43/92/910034392.db2.gz YYHSPUAXSXDNFY-GJZGRUSLSA-N 2 1 275.396 0.449 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001319207182 910038535 /nfs/dbraw/zinc/03/85/35/910038535.db2.gz HGBABXJQWJBLPG-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001319561118 910205008 /nfs/dbraw/zinc/20/50/08/910205008.db2.gz TUROKVLEADJBSI-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319999542 910405649 /nfs/dbraw/zinc/40/56/49/910405649.db2.gz IIRAMSGDJYYBMZ-OAHLLOKOSA-N 2 1 277.412 0.742 20 30 CCEDMP COCC#CC[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001320041150 910426485 /nfs/dbraw/zinc/42/64/85/910426485.db2.gz CCWFVCYJBWFAGD-OAHLLOKOSA-N 2 1 295.427 0.368 20 30 CCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001320041150 910426502 /nfs/dbraw/zinc/42/65/02/910426502.db2.gz CCWFVCYJBWFAGD-OAHLLOKOSA-N 2 1 295.427 0.368 20 30 CCEDMP COCC#CC[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320041150 910426519 /nfs/dbraw/zinc/42/65/19/910426519.db2.gz CCWFVCYJBWFAGD-OAHLLOKOSA-N 2 1 295.427 0.368 20 30 CCEDMP COCC#CC[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001320041150 910426536 /nfs/dbraw/zinc/42/65/36/910426536.db2.gz CCWFVCYJBWFAGD-OAHLLOKOSA-N 2 1 295.427 0.368 20 30 CCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001320073176 910446523 /nfs/dbraw/zinc/44/65/23/910446523.db2.gz SSKJFMAMJQVDCC-UHFFFAOYSA-N 2 1 293.411 0.122 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001320242653 910552161 /nfs/dbraw/zinc/55/21/61/910552161.db2.gz OWHCIHSNOMKRGD-HUUCEWRRSA-N 2 1 297.443 0.750 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001320242652 910553715 /nfs/dbraw/zinc/55/37/15/910553715.db2.gz OWHCIHSNOMKRGD-GJZGRUSLSA-N 2 1 297.443 0.750 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H](C)OC ZINC001321543137 911361561 /nfs/dbraw/zinc/36/15/61/911361561.db2.gz HTGFRYQGZSYWEO-MCIONIFRSA-N 2 1 281.400 0.213 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H](C)OC ZINC001321543137 911361580 /nfs/dbraw/zinc/36/15/80/911361580.db2.gz HTGFRYQGZSYWEO-MCIONIFRSA-N 2 1 281.400 0.213 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001322999916 912064719 /nfs/dbraw/zinc/06/47/19/912064719.db2.gz KCKXUYJJYFKCBP-SOUVJXGZSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001328377506 915150075 /nfs/dbraw/zinc/15/00/75/915150075.db2.gz KSHFFWQKGNWUNC-LBPRGKRZSA-N 2 1 262.357 0.699 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC#CC)C1 ZINC001328869596 915487633 /nfs/dbraw/zinc/48/76/33/915487633.db2.gz SIVNWLKGFPWOPQ-GPANFISMSA-N 2 1 287.407 0.592 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC#CC)C1 ZINC001328869596 915487646 /nfs/dbraw/zinc/48/76/46/915487646.db2.gz SIVNWLKGFPWOPQ-GPANFISMSA-N 2 1 287.407 0.592 20 30 CCEDMP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001329051784 915628166 /nfs/dbraw/zinc/62/81/66/915628166.db2.gz CQXGAWWFMTUGNZ-OLZOCXBDSA-N 2 1 265.401 0.977 20 30 CCEDMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001329408760 915888718 /nfs/dbraw/zinc/88/87/18/915888718.db2.gz JPZZIHGDRNELON-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001329408760 915888738 /nfs/dbraw/zinc/88/87/38/915888738.db2.gz JPZZIHGDRNELON-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001329408760 915888752 /nfs/dbraw/zinc/88/87/52/915888752.db2.gz JPZZIHGDRNELON-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001329408760 915888769 /nfs/dbraw/zinc/88/87/69/915888769.db2.gz JPZZIHGDRNELON-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001329560566 916008132 /nfs/dbraw/zinc/00/81/32/916008132.db2.gz ORKXPCUWOOEYJI-NSHDSACASA-N 2 1 250.346 0.965 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cnc[nH]1 ZINC001329560566 916008149 /nfs/dbraw/zinc/00/81/49/916008149.db2.gz ORKXPCUWOOEYJI-NSHDSACASA-N 2 1 250.346 0.965 20 30 CCEDMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001329876441 916249780 /nfs/dbraw/zinc/24/97/80/916249780.db2.gz RCIFGDHPEGRZDZ-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001329876441 916249800 /nfs/dbraw/zinc/24/98/00/916249800.db2.gz RCIFGDHPEGRZDZ-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001330445106 916633856 /nfs/dbraw/zinc/63/38/56/916633856.db2.gz JMVUXQJQKBHLOU-ZIAGYGMSSA-N 2 1 281.400 0.165 20 30 CCEDMP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001332049326 917822649 /nfs/dbraw/zinc/82/26/49/917822649.db2.gz OTPRGEDVHONULT-GXTWGEPZSA-N 2 1 274.368 0.794 20 30 CCEDMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001333049110 918623542 /nfs/dbraw/zinc/62/35/42/918623542.db2.gz MWNWMPZUVKJUJG-RUXDESIVSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001333049110 918623548 /nfs/dbraw/zinc/62/35/48/918623548.db2.gz MWNWMPZUVKJUJG-RUXDESIVSA-N 2 1 281.400 0.472 20 30 CCEDMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC001335395656 920166570 /nfs/dbraw/zinc/16/65/70/920166570.db2.gz XHQBPPHQWNRHPS-ZIAGYGMSSA-N 2 1 268.405 0.124 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001335540092 920262300 /nfs/dbraw/zinc/26/23/00/920262300.db2.gz WQZCOVYSTPRUTR-UKRRQHHQSA-N 2 1 278.400 0.464 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001336878377 921078692 /nfs/dbraw/zinc/07/86/92/921078692.db2.gz ZEJWWJLMQPCXEF-KBPBESRZSA-N 2 1 280.416 0.568 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2C)C1 ZINC001345790358 923977164 /nfs/dbraw/zinc/97/71/64/923977164.db2.gz RHULAPILSGSVOM-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001345790358 923977174 /nfs/dbraw/zinc/97/71/74/923977174.db2.gz RHULAPILSGSVOM-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C)C1 ZINC001345790358 923977180 /nfs/dbraw/zinc/97/71/80/923977180.db2.gz RHULAPILSGSVOM-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C)C1 ZINC001345790358 923977189 /nfs/dbraw/zinc/97/71/89/923977189.db2.gz RHULAPILSGSVOM-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000572149118 358927841 /nfs/dbraw/zinc/92/78/41/358927841.db2.gz VHXNNXJPLHGKPH-HZPDHXFCSA-N 2 1 296.459 0.903 20 30 CCEDMP CC(C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436622 360306140 /nfs/dbraw/zinc/30/61/40/360306140.db2.gz FAPSBCWWSCSQGO-GFCCVEGCSA-N 2 1 254.378 0.854 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000594444974 360312563 /nfs/dbraw/zinc/31/25/63/360312563.db2.gz HFDHNJKPFKBEST-ZDUSSCGKSA-N 2 1 282.388 0.236 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000594444974 360312570 /nfs/dbraw/zinc/31/25/70/360312570.db2.gz HFDHNJKPFKBEST-ZDUSSCGKSA-N 2 1 282.388 0.236 20 30 CCEDMP N#Cc1sccc1N1CC[NH+](CCOCC[NH3+])CC1 ZINC000595903364 360698593 /nfs/dbraw/zinc/69/85/93/360698593.db2.gz PPCLHUNRYMEBPZ-UHFFFAOYSA-N 2 1 280.397 0.717 20 30 CCEDMP C[C@H](C#N)CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000596549725 360919029 /nfs/dbraw/zinc/91/90/29/360919029.db2.gz JZAFTUCBNURFTG-OLZOCXBDSA-N 2 1 283.420 0.717 20 30 CCEDMP C[C@H](C#N)CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596549725 360919032 /nfs/dbraw/zinc/91/90/32/360919032.db2.gz JZAFTUCBNURFTG-OLZOCXBDSA-N 2 1 283.420 0.717 20 30 CCEDMP C=CCC[C@@H](O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641212793 376891345 /nfs/dbraw/zinc/89/13/45/376891345.db2.gz QZPMUMKZXDRTGU-OAHLLOKOSA-N 2 1 293.415 0.571 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC#N ZINC000355985531 285275932 /nfs/dbraw/zinc/27/59/32/285275932.db2.gz KQIXWIJLFCGIPG-ZDUSSCGKSA-N 2 1 266.389 0.775 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCc2ccccc2C1 ZINC000104167251 389079900 /nfs/dbraw/zinc/07/99/00/389079900.db2.gz GHOWMXAMBPALRP-ZDUSSCGKSA-N 2 1 290.411 0.984 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCc2ccccc2C1 ZINC000104167251 389079904 /nfs/dbraw/zinc/07/99/04/389079904.db2.gz GHOWMXAMBPALRP-ZDUSSCGKSA-N 2 1 290.411 0.984 20 30 CCEDMP C[NH+]=C(NCc1nccn1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261995950 389279773 /nfs/dbraw/zinc/27/97/73/389279773.db2.gz SITGTHYLYJYCSU-CHWSQXEVSA-N 2 1 292.431 0.814 20 30 CCEDMP C[C@@H]1C[NH+]=C(NCc2ccccc2C[NH+]2CCOCC2)N1 ZINC000262200942 389282955 /nfs/dbraw/zinc/28/29/55/389282955.db2.gz AUKTVNXGOLFWJV-CYBMUJFWSA-N 2 1 288.395 0.956 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@@](C)(O)c1ccco1 ZINC000262495270 389287169 /nfs/dbraw/zinc/28/71/69/389287169.db2.gz ZZGRAAYCXHJXEK-SWLSCSKDSA-N 2 1 294.399 0.604 20 30 CCEDMP CN(C)C(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264118677 389307880 /nfs/dbraw/zinc/30/78/80/389307880.db2.gz UFGZIAYLFJJHOO-UHFFFAOYSA-N 2 1 290.415 0.470 20 30 CCEDMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC(C#N)CC2)CC1 ZINC000057907866 262350542 /nfs/dbraw/zinc/35/05/42/262350542.db2.gz WASOVEAAIURFKW-CYBMUJFWSA-N 2 1 278.400 0.775 20 30 CCEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000350253622 389500944 /nfs/dbraw/zinc/50/09/44/389500944.db2.gz NWGIIICIBOTZNG-ZDUSSCGKSA-N 2 1 282.388 0.059 20 30 CCEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC000350253622 389500950 /nfs/dbraw/zinc/50/09/50/389500950.db2.gz NWGIIICIBOTZNG-ZDUSSCGKSA-N 2 1 282.388 0.059 20 30 CCEDMP C[C@@H](O)CC[N@@H+](C)CC#CC[NH+](C)CC[C@H](C)O ZINC000351440007 389582935 /nfs/dbraw/zinc/58/29/35/389582935.db2.gz ZZQUTJRRFPOEHI-OKILXGFUSA-N 2 1 256.390 0.395 20 30 CCEDMP C[C@@H](O)CC[NH+](C)CC#CC[N@H+](C)CC[C@H](C)O ZINC000351440007 389582937 /nfs/dbraw/zinc/58/29/37/389582937.db2.gz ZZQUTJRRFPOEHI-OKILXGFUSA-N 2 1 256.390 0.395 20 30 CCEDMP C[C@@H](O)CC[NH+](C)CC#CC[N@@H+](C)CC[C@H](C)O ZINC000351440007 389582939 /nfs/dbraw/zinc/58/29/39/389582939.db2.gz ZZQUTJRRFPOEHI-OKILXGFUSA-N 2 1 256.390 0.395 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435627750 389959609 /nfs/dbraw/zinc/95/96/09/389959609.db2.gz OKXGGBNUIUTULQ-GFCCVEGCSA-N 2 1 282.388 0.462 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435627750 389959611 /nfs/dbraw/zinc/95/96/11/389959611.db2.gz OKXGGBNUIUTULQ-GFCCVEGCSA-N 2 1 282.388 0.462 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333163 389984621 /nfs/dbraw/zinc/98/46/21/389984621.db2.gz FDCMFLNQZMPVHJ-QWHCGFSZSA-N 2 1 251.374 0.610 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+](C)CC ZINC000491682177 390115954 /nfs/dbraw/zinc/11/59/54/390115954.db2.gz QDLLAVORSCAXHM-UHFFFAOYSA-N 2 1 254.378 0.192 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+](C)CC ZINC000491682177 390115955 /nfs/dbraw/zinc/11/59/55/390115955.db2.gz QDLLAVORSCAXHM-UHFFFAOYSA-N 2 1 254.378 0.192 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+](C)CC ZINC000491682177 390115956 /nfs/dbraw/zinc/11/59/56/390115956.db2.gz QDLLAVORSCAXHM-UHFFFAOYSA-N 2 1 254.378 0.192 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000565597951 390527631 /nfs/dbraw/zinc/52/76/31/390527631.db2.gz WZMZUYMZNKUPTG-GFCCVEGCSA-N 2 1 250.346 0.386 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CCC[NH2+]1 ZINC000662759932 414768448 /nfs/dbraw/zinc/76/84/48/414768448.db2.gz UNUNYNBFHQJWRI-UKRRQHHQSA-N 2 1 280.416 0.047 20 30 CCEDMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CCC[NH2+]1 ZINC000662721176 414746152 /nfs/dbraw/zinc/74/61/52/414746152.db2.gz KVBQQUVHXKWRHX-UKRRQHHQSA-N 2 1 281.400 0.522 20 30 CCEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@H]2CO)[C@@H]1CO ZINC000342140919 263391361 /nfs/dbraw/zinc/39/13/61/263391361.db2.gz YPJTYIKAYQNQCO-QKPAOTATSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@H]2CO)[C@@H]1CO ZINC000342140919 263391364 /nfs/dbraw/zinc/39/13/64/263391364.db2.gz YPJTYIKAYQNQCO-QKPAOTATSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@H]2CO)[C@@H]1CO ZINC000342140919 263391365 /nfs/dbraw/zinc/39/13/65/263391365.db2.gz YPJTYIKAYQNQCO-QKPAOTATSA-N 2 1 280.412 0.395 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252882510 264319125 /nfs/dbraw/zinc/31/91/25/264319125.db2.gz ZNEPSNUOLSUNRR-ZDEQEGDKSA-N 2 1 251.374 0.736 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000129590092 264328241 /nfs/dbraw/zinc/32/82/41/264328241.db2.gz KGUQJTAJYLKZDA-IHRRRGAJSA-N 2 1 274.368 0.904 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000534579978 328311345 /nfs/dbraw/zinc/31/13/45/328311345.db2.gz JZCJGBWNKXHRRP-RYUDHWBXSA-N 2 1 262.357 0.900 20 30 CCEDMP C=CCNC(=O)[C@H](C)N1CC[C@H](c2nccn2C)C1 ZINC000534579978 328311346 /nfs/dbraw/zinc/31/13/46/328311346.db2.gz JZCJGBWNKXHRRP-RYUDHWBXSA-N 2 1 262.357 0.900 20 30 CCEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC#N)CC2)CC1 ZINC000557657434 327019368 /nfs/dbraw/zinc/01/93/68/327019368.db2.gz MKFWZNSUCVUTNR-UHFFFAOYSA-N 2 1 278.400 0.822 20 30 CCEDMP C[C@@H]1CN(C(=[NH2+])NC[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000262438563 330012858 /nfs/dbraw/zinc/01/28/58/330012858.db2.gz GXZTVWZAXVCLKN-VXGBXAGGSA-N 2 1 266.389 0.506 20 30 CCEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262489291 330017160 /nfs/dbraw/zinc/01/71/60/330017160.db2.gz UIKNCOGIMNJJSR-UONOGXRCSA-N 2 1 282.432 1.000 20 30 CCEDMP C[C@@H]1CN(C(=[NH2+])NCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC000262501533 330017994 /nfs/dbraw/zinc/01/79/94/330017994.db2.gz YPFBIHGHKQWUCN-CHWSQXEVSA-N 2 1 268.405 0.896 20 30 CCEDMP C[NH+]=C(NCCn1ccnc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262744979 330028993 /nfs/dbraw/zinc/02/89/93/330028993.db2.gz FPWGJHHCNPLEAQ-LBPRGKRZSA-N 2 1 276.388 0.285 20 30 CCEDMP C[NH+]=C(NCCn1ccnc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262744979 330028995 /nfs/dbraw/zinc/02/89/95/330028995.db2.gz FPWGJHHCNPLEAQ-LBPRGKRZSA-N 2 1 276.388 0.285 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1COCCO1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262737436 330029034 /nfs/dbraw/zinc/02/90/34/330029034.db2.gz CUBIGYPWHGAOSL-GXTWGEPZSA-N 2 1 296.415 0.194 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1COCCO1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262737436 330029036 /nfs/dbraw/zinc/02/90/36/330029036.db2.gz CUBIGYPWHGAOSL-GXTWGEPZSA-N 2 1 296.415 0.194 20 30 CCEDMP C[NH+]=C(NC1CCC1)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000262820744 330034063 /nfs/dbraw/zinc/03/40/63/330034063.db2.gz YELUJCGRFPUTPD-GFCCVEGCSA-N 2 1 254.378 0.425 20 30 CCEDMP C[NH+]=C(NC1CCC1)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000262820744 330034065 /nfs/dbraw/zinc/03/40/65/330034065.db2.gz YELUJCGRFPUTPD-GFCCVEGCSA-N 2 1 254.378 0.425 20 30 CCEDMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424133337 330265831 /nfs/dbraw/zinc/26/58/31/330265831.db2.gz LZJVQXFTPHGMLZ-AAEUAGOBSA-N 2 1 277.372 0.965 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424143031 330286662 /nfs/dbraw/zinc/28/66/62/330286662.db2.gz VUKNOKNGRVHHNZ-KBPBESRZSA-N 2 1 296.415 0.481 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](C)CC2)CC1 ZINC000490761209 332113339 /nfs/dbraw/zinc/11/33/39/332113339.db2.gz SIYANZXYVUGYMX-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000491308118 332187284 /nfs/dbraw/zinc/18/72/84/332187284.db2.gz SSQBOAUZBSRZPO-GFCCVEGCSA-N 2 1 254.378 0.224 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000491327641 332191509 /nfs/dbraw/zinc/19/15/09/332191509.db2.gz XDMONXQDNOCUFN-ZDUSSCGKSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491327641 332191511 /nfs/dbraw/zinc/19/15/11/332191511.db2.gz XDMONXQDNOCUFN-ZDUSSCGKSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000491327641 332191512 /nfs/dbraw/zinc/19/15/12/332191512.db2.gz XDMONXQDNOCUFN-ZDUSSCGKSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000491535463 332231398 /nfs/dbraw/zinc/23/13/98/332231398.db2.gz BXGKJVXWKSSMRI-OAHLLOKOSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000491617002 332243849 /nfs/dbraw/zinc/24/38/49/332243849.db2.gz AMYXOXGPDJEOSY-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#C[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000491657810 332268896 /nfs/dbraw/zinc/26/88/96/332268896.db2.gz KUMWMIYZNQINGJ-ZDUSSCGKSA-N 2 1 265.401 0.929 20 30 CCEDMP C#C[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000491657810 332268898 /nfs/dbraw/zinc/26/88/98/332268898.db2.gz KUMWMIYZNQINGJ-ZDUSSCGKSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000491682940 332285622 /nfs/dbraw/zinc/28/56/22/332285622.db2.gz VSZNVFAGQXKFRD-UHFFFAOYSA-N 2 1 294.443 0.925 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC000491712491 332303761 /nfs/dbraw/zinc/30/37/61/332303761.db2.gz YODXJOHKWDXEKO-UHFFFAOYSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000491809195 332361918 /nfs/dbraw/zinc/36/19/18/332361918.db2.gz XJYCBMUOCSDJKG-QWHCGFSZSA-N 2 1 266.389 0.239 20 30 CCEDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000577055532 335292182 /nfs/dbraw/zinc/29/21/82/335292182.db2.gz RCJFDVAAZAIDDI-LSDHHAIUSA-N 2 1 282.432 0.514 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(OC)CCC1 ZINC000305843397 649884888 /nfs/dbraw/zinc/88/48/88/649884888.db2.gz HTJWIBFNJOXTPS-LBPRGKRZSA-N 2 1 268.405 0.944 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC[NH+](C)C)OCC ZINC000753649610 581549866 /nfs/dbraw/zinc/54/98/66/581549866.db2.gz RSAGFMOUWRMESW-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC[NH+](C)C)OCC ZINC000753649610 581549868 /nfs/dbraw/zinc/54/98/68/581549868.db2.gz RSAGFMOUWRMESW-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCNC(=S)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000758219425 581728113 /nfs/dbraw/zinc/72/81/13/581728113.db2.gz LLNSPIOJWPVWOL-AWEZNQCLSA-N 2 1 296.484 0.842 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000743492285 581814258 /nfs/dbraw/zinc/81/42/58/581814258.db2.gz SDVDQPCJRDIFFY-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000764587321 582057282 /nfs/dbraw/zinc/05/72/82/582057282.db2.gz QDJZSCHXFZDYOL-OLZOCXBDSA-N 2 1 251.374 0.799 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC([NH3+])(CC)CC1 ZINC000891921812 613073859 /nfs/dbraw/zinc/07/38/59/613073859.db2.gz WDTWEZJUPNHCFP-UHFFFAOYSA-N 2 1 280.416 0.854 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCC[C@H]1C ZINC000895056121 613075263 /nfs/dbraw/zinc/07/52/63/613075263.db2.gz CJHKNFDNVYOFEP-CQSZACIVSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CSC1 ZINC000878909533 613107226 /nfs/dbraw/zinc/10/72/26/613107226.db2.gz FLIZUEZPVOHWCP-UHFFFAOYSA-N 2 1 281.425 0.201 20 30 CCEDMP C#CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CSC1 ZINC000878909533 613107227 /nfs/dbraw/zinc/10/72/27/613107227.db2.gz FLIZUEZPVOHWCP-UHFFFAOYSA-N 2 1 281.425 0.201 20 30 CCEDMP C#CCC1(O)CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000880484327 612973181 /nfs/dbraw/zinc/97/31/81/612973181.db2.gz UYVDTFNOYDJAGG-UHFFFAOYSA-N 2 1 293.411 0.001 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC000969865185 612996549 /nfs/dbraw/zinc/99/65/49/612996549.db2.gz LPJPZIBJYQDMBY-HOCLYGCPSA-N 2 1 287.407 0.544 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC000969865185 612996551 /nfs/dbraw/zinc/99/65/51/612996551.db2.gz LPJPZIBJYQDMBY-HOCLYGCPSA-N 2 1 287.407 0.544 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944168209 613016874 /nfs/dbraw/zinc/01/68/74/613016874.db2.gz HPHBHBQYADKWGV-HUUCEWRRSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977481399 613036940 /nfs/dbraw/zinc/03/69/40/613036940.db2.gz YNUJBDFSXPAXSI-AWEZNQCLSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000962292473 613043060 /nfs/dbraw/zinc/04/30/60/613043060.db2.gz IQEZLEMCKPQHDV-NYTXWWLZSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000962292473 613043062 /nfs/dbraw/zinc/04/30/62/613043062.db2.gz IQEZLEMCKPQHDV-NYTXWWLZSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000962292473 613043063 /nfs/dbraw/zinc/04/30/63/613043063.db2.gz IQEZLEMCKPQHDV-NYTXWWLZSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000895057950 613074399 /nfs/dbraw/zinc/07/43/99/613074399.db2.gz XQZKAGMQRXSHEL-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000895057950 613074401 /nfs/dbraw/zinc/07/44/01/613074401.db2.gz XQZKAGMQRXSHEL-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000895057950 613074403 /nfs/dbraw/zinc/07/44/03/613074403.db2.gz XQZKAGMQRXSHEL-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972734170 613081143 /nfs/dbraw/zinc/08/11/43/613081143.db2.gz WLTYHWCZYVVFOT-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972734170 613081145 /nfs/dbraw/zinc/08/11/45/613081145.db2.gz WLTYHWCZYVVFOT-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972734170 613081146 /nfs/dbraw/zinc/08/11/46/613081146.db2.gz WLTYHWCZYVVFOT-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000970325458 613117531 /nfs/dbraw/zinc/11/75/31/613117531.db2.gz GCWOKPICYJXUJW-MJBXVCDLSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970325458 613117532 /nfs/dbraw/zinc/11/75/32/613117532.db2.gz GCWOKPICYJXUJW-MJBXVCDLSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000970325458 613117533 /nfs/dbraw/zinc/11/75/33/613117533.db2.gz GCWOKPICYJXUJW-MJBXVCDLSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC)CC1 ZINC000882484464 613130577 /nfs/dbraw/zinc/13/05/77/613130577.db2.gz DCTQWQMZDQRUFA-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC#C)C2 ZINC000981818840 613141893 /nfs/dbraw/zinc/14/18/93/613141893.db2.gz FCMMGUVLLFPJMI-INIZCTEOSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC#C)C2 ZINC000981818840 613141896 /nfs/dbraw/zinc/14/18/96/613141896.db2.gz FCMMGUVLLFPJMI-INIZCTEOSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC#C)C2 ZINC000981818840 613141897 /nfs/dbraw/zinc/14/18/97/613141897.db2.gz FCMMGUVLLFPJMI-INIZCTEOSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC#C)C2 ZINC000981818840 613141900 /nfs/dbraw/zinc/14/19/00/613141900.db2.gz FCMMGUVLLFPJMI-INIZCTEOSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2([NH+](C)C)CC2)C1 ZINC000922983006 613168371 /nfs/dbraw/zinc/16/83/71/613168371.db2.gz GVDQIFYEXCNNTJ-CYBMUJFWSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH+](C)C)CC2)C1 ZINC000922983006 613168373 /nfs/dbraw/zinc/16/83/73/613168373.db2.gz GVDQIFYEXCNNTJ-CYBMUJFWSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000923553502 613189483 /nfs/dbraw/zinc/18/94/83/613189483.db2.gz JYETZTWUIGHBBH-KKUMJFAQSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000923553502 613189484 /nfs/dbraw/zinc/18/94/84/613189484.db2.gz JYETZTWUIGHBBH-KKUMJFAQSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000923553502 613189485 /nfs/dbraw/zinc/18/94/85/613189485.db2.gz JYETZTWUIGHBBH-KKUMJFAQSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000923553502 613189486 /nfs/dbraw/zinc/18/94/86/613189486.db2.gz JYETZTWUIGHBBH-KKUMJFAQSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C(C)C)C1 ZINC000968956703 613196658 /nfs/dbraw/zinc/19/66/58/613196658.db2.gz UTNGWAPBLPQEQT-KGLIPLIRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C(C)C)C1 ZINC000968956703 613196659 /nfs/dbraw/zinc/19/66/59/613196659.db2.gz UTNGWAPBLPQEQT-KGLIPLIRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827320066 613197359 /nfs/dbraw/zinc/19/73/59/613197359.db2.gz QQSBXETVVQEOGG-ILXRZTDVSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827320066 613197361 /nfs/dbraw/zinc/19/73/61/613197361.db2.gz QQSBXETVVQEOGG-ILXRZTDVSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000827320066 613197363 /nfs/dbraw/zinc/19/73/63/613197363.db2.gz QQSBXETVVQEOGG-ILXRZTDVSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000827320066 613197366 /nfs/dbraw/zinc/19/73/66/613197366.db2.gz QQSBXETVVQEOGG-ILXRZTDVSA-N 2 1 275.396 0.637 20 30 CCEDMP C[NH+]=C(NC[C@@H](C)C[NH+]1CCOCC1)NC1CC1 ZINC000849005879 613220012 /nfs/dbraw/zinc/22/00/12/613220012.db2.gz ZIHVNWLBYPRCGI-LLVKDONJSA-N 2 1 254.378 0.282 20 30 CCEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969440413 613249396 /nfs/dbraw/zinc/24/93/96/613249396.db2.gz GKDVWDUYDPBNOZ-ZFWWWQNUSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969440413 613249398 /nfs/dbraw/zinc/24/93/98/613249398.db2.gz GKDVWDUYDPBNOZ-ZFWWWQNUSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971266124 613289684 /nfs/dbraw/zinc/28/96/84/613289684.db2.gz GISZAFRCQJMMHQ-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971266124 613289686 /nfs/dbraw/zinc/28/96/86/613289686.db2.gz GISZAFRCQJMMHQ-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971266124 613289688 /nfs/dbraw/zinc/28/96/88/613289688.db2.gz GISZAFRCQJMMHQ-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971266124 613289690 /nfs/dbraw/zinc/28/96/90/613289690.db2.gz GISZAFRCQJMMHQ-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000960175165 613315665 /nfs/dbraw/zinc/31/56/65/613315665.db2.gz MSFWFFNEZIISTH-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC000960175165 613315666 /nfs/dbraw/zinc/31/56/66/613315666.db2.gz MSFWFFNEZIISTH-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC000960175165 613315668 /nfs/dbraw/zinc/31/56/68/613315668.db2.gz MSFWFFNEZIISTH-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000960264759 613316824 /nfs/dbraw/zinc/31/68/24/613316824.db2.gz IQHZFQVQKUPZCX-CAOSSQGBSA-N 2 1 289.423 0.644 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000960264759 613316826 /nfs/dbraw/zinc/31/68/26/613316826.db2.gz IQHZFQVQKUPZCX-CAOSSQGBSA-N 2 1 289.423 0.644 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000960264759 613316828 /nfs/dbraw/zinc/31/68/28/613316828.db2.gz IQHZFQVQKUPZCX-CAOSSQGBSA-N 2 1 289.423 0.644 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000907612753 613364727 /nfs/dbraw/zinc/36/47/27/613364727.db2.gz JNPNSQTVYDHMMJ-UHFFFAOYSA-N 2 1 269.389 0.333 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000911843001 613366842 /nfs/dbraw/zinc/36/68/42/613366842.db2.gz KTRJOCOSZHKYCI-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@H+](C)CCOC ZINC000876728597 613390035 /nfs/dbraw/zinc/39/00/35/613390035.db2.gz QJNMEHULSXLJJO-NSHDSACASA-N 2 1 277.796 0.541 20 30 CCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969443182 613485854 /nfs/dbraw/zinc/48/58/54/613485854.db2.gz ZFLYMSGAHFFXDL-JSGCOSHPSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969443182 613485856 /nfs/dbraw/zinc/48/58/56/613485856.db2.gz ZFLYMSGAHFFXDL-JSGCOSHPSA-N 2 1 281.400 0.330 20 30 CCEDMP C=C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926725721 613492264 /nfs/dbraw/zinc/49/22/64/613492264.db2.gz BKYUGZPVDLTYQT-RLAWYHOSSA-N 2 1 254.374 0.765 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000981333400 613550552 /nfs/dbraw/zinc/55/05/52/613550552.db2.gz PZVZJZDHOCMAIQ-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000981333400 613550554 /nfs/dbraw/zinc/55/05/54/613550554.db2.gz PZVZJZDHOCMAIQ-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374649 613551777 /nfs/dbraw/zinc/55/17/77/613551777.db2.gz NUPXANQEPBQJDW-GJZGRUSLSA-N 2 1 295.427 0.313 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000972172263 613615678 /nfs/dbraw/zinc/61/56/78/613615678.db2.gz LWGLJTALVIMPFR-CABCVRRESA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000972172263 613615680 /nfs/dbraw/zinc/61/56/80/613615680.db2.gz LWGLJTALVIMPFR-CABCVRRESA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972172263 613615683 /nfs/dbraw/zinc/61/56/83/613615683.db2.gz LWGLJTALVIMPFR-CABCVRRESA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972172263 613615687 /nfs/dbraw/zinc/61/56/87/613615687.db2.gz LWGLJTALVIMPFR-CABCVRRESA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000972172264 613631974 /nfs/dbraw/zinc/63/19/74/613631974.db2.gz LWGLJTALVIMPFR-GJZGRUSLSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000972172264 613631976 /nfs/dbraw/zinc/63/19/76/613631976.db2.gz LWGLJTALVIMPFR-GJZGRUSLSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972172264 613631978 /nfs/dbraw/zinc/63/19/78/613631978.db2.gz LWGLJTALVIMPFR-GJZGRUSLSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972172264 613631979 /nfs/dbraw/zinc/63/19/79/613631979.db2.gz LWGLJTALVIMPFR-GJZGRUSLSA-N 2 1 295.427 0.814 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC000960599178 613637223 /nfs/dbraw/zinc/63/72/23/613637223.db2.gz ZMEOVGVVBMAJBH-BARDWOONSA-N 2 1 275.396 0.540 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000960599178 613637226 /nfs/dbraw/zinc/63/72/26/613637226.db2.gz ZMEOVGVVBMAJBH-BARDWOONSA-N 2 1 275.396 0.540 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC000960599178 613637229 /nfs/dbraw/zinc/63/72/29/613637229.db2.gz ZMEOVGVVBMAJBH-BARDWOONSA-N 2 1 275.396 0.540 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000961594336 613637424 /nfs/dbraw/zinc/63/74/24/613637424.db2.gz DYKRBRBGYYRXTM-RFBLXINOSA-N 2 1 289.423 0.786 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000961594336 613637426 /nfs/dbraw/zinc/63/74/26/613637426.db2.gz DYKRBRBGYYRXTM-RFBLXINOSA-N 2 1 289.423 0.786 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000961594336 613637427 /nfs/dbraw/zinc/63/74/27/613637427.db2.gz DYKRBRBGYYRXTM-RFBLXINOSA-N 2 1 289.423 0.786 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000961958917 613837659 /nfs/dbraw/zinc/83/76/59/613837659.db2.gz RJGHPOYVXCZJMT-FOLVSLTJSA-N 2 1 277.412 0.951 20 30 CCEDMP CN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000852866145 615760512 /nfs/dbraw/zinc/76/05/12/615760512.db2.gz SRSOMHSYXLVEFM-HNNXBMFYSA-N 2 1 275.396 0.685 20 30 CCEDMP CN(CC[N@@H+](C)C1CC1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884325595 616083415 /nfs/dbraw/zinc/08/34/15/616083415.db2.gz VQSYTKDVTREIRI-MFOWVQHXSA-N 2 1 290.411 0.678 20 30 CCEDMP COCC[NH+]=C(NC[C@@H](C)[NH+](C)C)NC(C)(C)C ZINC000912509913 616743298 /nfs/dbraw/zinc/74/32/98/616743298.db2.gz UAZNGDRCWUHLBI-LLVKDONJSA-N 2 1 258.410 0.917 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001026148452 625343757 /nfs/dbraw/zinc/34/37/57/625343757.db2.gz KFXTXZJVOXQFBO-LRDNVRMFSA-N 2 1 275.396 0.539 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001026148452 625343758 /nfs/dbraw/zinc/34/37/58/625343758.db2.gz KFXTXZJVOXQFBO-LRDNVRMFSA-N 2 1 275.396 0.539 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001026148452 625343759 /nfs/dbraw/zinc/34/37/59/625343759.db2.gz KFXTXZJVOXQFBO-LRDNVRMFSA-N 2 1 275.396 0.539 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001022716693 622693529 /nfs/dbraw/zinc/69/35/29/622693529.db2.gz FRCVGVWQKKXLQB-BETUJISGSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001023446434 623034291 /nfs/dbraw/zinc/03/42/91/623034291.db2.gz PMESNJGRPBFVPH-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446434 623034300 /nfs/dbraw/zinc/03/43/00/623034300.db2.gz PMESNJGRPBFVPH-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446434 623034306 /nfs/dbraw/zinc/03/43/06/623034306.db2.gz PMESNJGRPBFVPH-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC)C1 ZINC001024022323 623198235 /nfs/dbraw/zinc/19/82/35/623198235.db2.gz UHIWBWWAJKZNQZ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC)C1 ZINC001024022323 623198244 /nfs/dbraw/zinc/19/82/44/623198244.db2.gz UHIWBWWAJKZNQZ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000177893295 623485992 /nfs/dbraw/zinc/48/59/92/623485992.db2.gz HJUCUCPQAGEFHZ-UHFFFAOYSA-N 2 1 273.384 0.731 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001020507985 624499530 /nfs/dbraw/zinc/49/95/30/624499530.db2.gz GJGCYGZKZIVFRI-IHRRRGAJSA-N 2 1 281.400 0.518 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001020507985 624499531 /nfs/dbraw/zinc/49/95/31/624499531.db2.gz GJGCYGZKZIVFRI-IHRRRGAJSA-N 2 1 281.400 0.518 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001020589095 624543807 /nfs/dbraw/zinc/54/38/07/624543807.db2.gz WTSUMMCSJGBUGQ-AVGNSLFASA-N 2 1 251.374 0.751 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001022202180 624892555 /nfs/dbraw/zinc/89/25/55/624892555.db2.gz SQYUDFPNRBSRHN-XQQFMLRXSA-N 2 1 272.352 0.631 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001022585029 625049391 /nfs/dbraw/zinc/04/93/91/625049391.db2.gz JLYMXNPARATPFQ-SOUVJXGZSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027332291 625834331 /nfs/dbraw/zinc/83/43/31/625834331.db2.gz MYBHKWIRVAFBQL-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001027332291 625834335 /nfs/dbraw/zinc/83/43/35/625834335.db2.gz MYBHKWIRVAFBQL-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001027332291 625834340 /nfs/dbraw/zinc/83/43/40/625834340.db2.gz MYBHKWIRVAFBQL-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001027443808 625885493 /nfs/dbraw/zinc/88/54/93/625885493.db2.gz OYBNRZYXNHYZEH-CABCVRRESA-N 2 1 277.412 0.883 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615047 630804398 /nfs/dbraw/zinc/80/43/98/630804398.db2.gz LZWCYJFAUAOMHR-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615047 630804399 /nfs/dbraw/zinc/80/43/99/630804399.db2.gz LZWCYJFAUAOMHR-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CC[C@]2(CCOC2)C1 ZINC000262012191 631754461 /nfs/dbraw/zinc/75/44/61/631754461.db2.gz WUVLMOZRUCRDRX-HNNXBMFYSA-N 2 1 280.416 0.768 20 30 CCEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CC[C@]2(CCOC2)C1 ZINC000262012191 631754465 /nfs/dbraw/zinc/75/44/65/631754465.db2.gz WUVLMOZRUCRDRX-HNNXBMFYSA-N 2 1 280.416 0.768 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001007004715 650061881 /nfs/dbraw/zinc/06/18/81/650061881.db2.gz WLASMSDTTHHWBP-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001007004715 650061883 /nfs/dbraw/zinc/06/18/83/650061883.db2.gz WLASMSDTTHHWBP-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001007004715 650061884 /nfs/dbraw/zinc/06/18/84/650061884.db2.gz WLASMSDTTHHWBP-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001007004715 650061886 /nfs/dbraw/zinc/06/18/86/650061886.db2.gz WLASMSDTTHHWBP-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC000986353699 632745632 /nfs/dbraw/zinc/74/56/32/632745632.db2.gz JDPQZMZHVSISNX-GXTWGEPZSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989661315 633339818 /nfs/dbraw/zinc/33/98/18/633339818.db2.gz FYUPDBIOUZSTRL-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989661315 633339821 /nfs/dbraw/zinc/33/98/21/633339821.db2.gz FYUPDBIOUZSTRL-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989661315 633339823 /nfs/dbraw/zinc/33/98/23/633339823.db2.gz FYUPDBIOUZSTRL-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC000989707685 633346981 /nfs/dbraw/zinc/34/69/81/633346981.db2.gz HFXVLZNKCALQMR-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000989707685 633346982 /nfs/dbraw/zinc/34/69/82/633346982.db2.gz HFXVLZNKCALQMR-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000989707685 633346984 /nfs/dbraw/zinc/34/69/84/633346984.db2.gz HFXVLZNKCALQMR-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000989707685 633346986 /nfs/dbraw/zinc/34/69/86/633346986.db2.gz HFXVLZNKCALQMR-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000990244909 633493640 /nfs/dbraw/zinc/49/36/40/633493640.db2.gz PIBXYEJBRZTCAE-CYBMUJFWSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009226242 650140494 /nfs/dbraw/zinc/14/04/94/650140494.db2.gz PDAJLSCQDXSQTG-CYBMUJFWSA-N 2 1 263.385 0.849 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001009597829 650151038 /nfs/dbraw/zinc/15/10/38/650151038.db2.gz YCEMOBYRYJWHMD-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001009597829 650151039 /nfs/dbraw/zinc/15/10/39/650151039.db2.gz YCEMOBYRYJWHMD-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009597829 650151044 /nfs/dbraw/zinc/15/10/44/650151044.db2.gz YCEMOBYRYJWHMD-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009597829 650151046 /nfs/dbraw/zinc/15/10/46/650151046.db2.gz YCEMOBYRYJWHMD-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995605742 638780427 /nfs/dbraw/zinc/78/04/27/638780427.db2.gz ONUDFOGNUFCERR-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995605742 638780429 /nfs/dbraw/zinc/78/04/29/638780429.db2.gz ONUDFOGNUFCERR-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000996996744 638847807 /nfs/dbraw/zinc/84/78/07/638847807.db2.gz ZSALBTOIBHWQAT-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997299922 638862271 /nfs/dbraw/zinc/86/22/71/638862271.db2.gz RJRSYRDDRDWBMT-GFCCVEGCSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998813689 638943439 /nfs/dbraw/zinc/94/34/39/638943439.db2.gz XKUFGKREXCMZIO-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998813689 638943441 /nfs/dbraw/zinc/94/34/41/638943441.db2.gz XKUFGKREXCMZIO-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001000973443 639203063 /nfs/dbraw/zinc/20/30/63/639203063.db2.gz WDDQELYURSRIJB-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001000973443 639203068 /nfs/dbraw/zinc/20/30/68/639203068.db2.gz WDDQELYURSRIJB-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002860236 639468689 /nfs/dbraw/zinc/46/86/89/639468689.db2.gz JKVMFAISGHNIKG-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001004178411 639712959 /nfs/dbraw/zinc/71/29/59/639712959.db2.gz GZTDPAFCHLIJNZ-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004178411 639712965 /nfs/dbraw/zinc/71/29/65/639712965.db2.gz GZTDPAFCHLIJNZ-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089558 650527430 /nfs/dbraw/zinc/52/74/30/650527430.db2.gz JZQKQDHPWZMQSI-CYBMUJFWSA-N 2 1 261.369 0.439 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089558 650527434 /nfs/dbraw/zinc/52/74/34/650527434.db2.gz JZQKQDHPWZMQSI-CYBMUJFWSA-N 2 1 261.369 0.439 20 30 CCEDMP N#Cc1ccc(N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cc1 ZINC000923413131 640127442 /nfs/dbraw/zinc/12/74/42/640127442.db2.gz DORGFDNCRJIBAM-BPUTZDHNSA-N 2 1 286.379 0.531 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334179 650556131 /nfs/dbraw/zinc/55/61/31/650556131.db2.gz GYWDFQXIRFLVFL-IOSBVQAASA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015334179 650556133 /nfs/dbraw/zinc/55/61/33/650556133.db2.gz GYWDFQXIRFLVFL-IOSBVQAASA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015334179 650556136 /nfs/dbraw/zinc/55/61/36/650556136.db2.gz GYWDFQXIRFLVFL-IOSBVQAASA-N 2 1 291.395 0.226 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015705850 650613382 /nfs/dbraw/zinc/61/33/82/650613382.db2.gz QITLSLHESKJMPT-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015705850 650613384 /nfs/dbraw/zinc/61/33/84/650613384.db2.gz QITLSLHESKJMPT-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001015705850 650613385 /nfs/dbraw/zinc/61/33/85/650613385.db2.gz QITLSLHESKJMPT-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001015705850 650613388 /nfs/dbraw/zinc/61/33/88/650613388.db2.gz QITLSLHESKJMPT-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001016969156 650774593 /nfs/dbraw/zinc/77/45/93/650774593.db2.gz JWEACOOOAVRITB-UONOGXRCSA-N 2 1 275.396 0.542 20 30 CCEDMP N#CCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849017578 643701630 /nfs/dbraw/zinc/70/16/30/643701630.db2.gz SUOACNQYJVIWGX-UHFFFAOYSA-N 2 1 253.350 0.126 20 30 CCEDMP C[C@@H]1C[N@@H+](CCC[NH+]=C(N(C)C)N(C)C)CCCO1 ZINC000849022584 643702432 /nfs/dbraw/zinc/70/24/32/643702432.db2.gz LOZPCPZAELSVHQ-CYBMUJFWSA-N 2 1 270.421 0.967 20 30 CCEDMP C[C@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1C ZINC000852868667 644033565 /nfs/dbraw/zinc/03/35/65/644033565.db2.gz UJAAMZSXXQWSBZ-JSGCOSHPSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001019285300 650957016 /nfs/dbraw/zinc/95/70/16/650957016.db2.gz HSPJORSFNUUCBM-UONOGXRCSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001019285300 650957019 /nfs/dbraw/zinc/95/70/19/650957019.db2.gz HSPJORSFNUUCBM-UONOGXRCSA-N 2 1 281.400 0.472 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001006430256 649368899 /nfs/dbraw/zinc/36/88/99/649368899.db2.gz DTZQGODCNCGETF-OAHLLOKOSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001006430256 649368906 /nfs/dbraw/zinc/36/89/06/649368906.db2.gz DTZQGODCNCGETF-OAHLLOKOSA-N 2 1 293.411 0.263 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000303865696 649825854 /nfs/dbraw/zinc/82/58/54/649825854.db2.gz BTJHZUYUHPRXJK-AWEZNQCLSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])NC(C)C)CC1 ZINC000303876763 649825937 /nfs/dbraw/zinc/82/59/37/649825937.db2.gz IISZFQYGMYIOFD-CYBMUJFWSA-N 2 1 269.437 0.573 20 30 CCEDMP CC(C)CCNC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000303887535 649826490 /nfs/dbraw/zinc/82/64/90/649826490.db2.gz OLJLXBULVSKDPN-AWEZNQCLSA-N 2 1 283.464 0.820 20 30 CCEDMP CC(C)CCNC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304752009 649838202 /nfs/dbraw/zinc/83/82/02/649838202.db2.gz JUXSXSAMPAAYOZ-ZDUSSCGKSA-N 2 1 270.421 0.905 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230367441 805596534 /nfs/dbraw/zinc/59/65/34/805596534.db2.gz XQYVBIKPDSNWHV-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723669894 791266544 /nfs/dbraw/zinc/26/65/44/791266544.db2.gz LQWMYRIMGISGIX-ZDUSSCGKSA-N 2 1 251.374 0.858 20 30 CCEDMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266939218 791375473 /nfs/dbraw/zinc/37/54/73/791375473.db2.gz COIXXAAAEARHPS-JHJVBQTASA-N 2 1 253.390 0.997 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001267121549 791564565 /nfs/dbraw/zinc/56/45/65/791564565.db2.gz CAZWUGAUMRDEPN-STQMWFEESA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC001122203094 799168168 /nfs/dbraw/zinc/16/81/68/799168168.db2.gz JXFMEGDLQQZURG-LBPRGKRZSA-N 2 1 257.337 0.688 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)NCCCCC[NH+]1CCNCC1 ZINC001122277539 799185212 /nfs/dbraw/zinc/18/52/12/799185212.db2.gz MDHICXBSZLPAQV-CQSZACIVSA-N 2 1 295.431 0.199 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150620921 800351863 /nfs/dbraw/zinc/35/18/63/800351863.db2.gz YXYADMYZNUJHTM-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150620921 800351870 /nfs/dbraw/zinc/35/18/70/800351870.db2.gz YXYADMYZNUJHTM-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150620921 800351872 /nfs/dbraw/zinc/35/18/72/800351872.db2.gz YXYADMYZNUJHTM-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001152522024 800534441 /nfs/dbraw/zinc/53/44/41/800534441.db2.gz IPAVQMOXHUKPLO-AWEZNQCLSA-N 2 1 259.353 0.628 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCF ZINC001153890987 800687124 /nfs/dbraw/zinc/68/71/24/800687124.db2.gz FBLHWDGVERNPBG-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)CCF ZINC001153890987 800687128 /nfs/dbraw/zinc/68/71/28/800687128.db2.gz FBLHWDGVERNPBG-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903984 800865889 /nfs/dbraw/zinc/86/58/89/800865889.db2.gz JXFLCSGVBOWAHD-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP N#Cc1ncc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)nc1C#N ZINC001160520616 801960724 /nfs/dbraw/zinc/96/07/24/801960724.db2.gz SBNYTLYUPJTQDX-CQSZACIVSA-N 2 1 283.339 0.055 20 30 CCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161244694 802115267 /nfs/dbraw/zinc/11/52/67/802115267.db2.gz BDUYJTRRZCTKTA-UHFFFAOYSA-N 2 1 298.431 0.115 20 30 CCEDMP C[NH+]1CCC(C#N)(Nc2cc3c(nn2)CC[NH2+]C3)CC1 ZINC001162231851 802293935 /nfs/dbraw/zinc/29/39/35/802293935.db2.gz RQIMUCKYLQKCQR-UHFFFAOYSA-N 2 1 272.356 0.522 20 30 CCEDMP C#CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1OC ZINC001206518976 803257874 /nfs/dbraw/zinc/25/78/74/803257874.db2.gz GZFADANSGXYZST-KBPBESRZSA-N 2 1 290.363 0.459 20 30 CCEDMP C#CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1OC ZINC001206518976 803257877 /nfs/dbraw/zinc/25/78/77/803257877.db2.gz GZFADANSGXYZST-KBPBESRZSA-N 2 1 290.363 0.459 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545096 803417432 /nfs/dbraw/zinc/41/74/32/803417432.db2.gz FITMEWFTEHLOHZ-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207689535 803438647 /nfs/dbraw/zinc/43/86/47/803438647.db2.gz ZYRMFGYHNWSOGA-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207689533 803439350 /nfs/dbraw/zinc/43/93/50/803439350.db2.gz ZYRMFGYHNWSOGA-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208453641 803516022 /nfs/dbraw/zinc/51/60/22/803516022.db2.gz MDMZPLFXUIWQBO-CYBMUJFWSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001276586653 803545750 /nfs/dbraw/zinc/54/57/50/803545750.db2.gz MWEDCPZJAPMAIQ-CYBMUJFWSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001276586653 803545752 /nfs/dbraw/zinc/54/57/52/803545752.db2.gz MWEDCPZJAPMAIQ-CYBMUJFWSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211026134 803665301 /nfs/dbraw/zinc/66/53/01/803665301.db2.gz SSWYLDOMPLOPMD-QLFBSQMISA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211026134 803665303 /nfs/dbraw/zinc/66/53/03/803665303.db2.gz SSWYLDOMPLOPMD-QLFBSQMISA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211026134 803665307 /nfs/dbraw/zinc/66/53/07/803665307.db2.gz SSWYLDOMPLOPMD-QLFBSQMISA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211054076 803666366 /nfs/dbraw/zinc/66/63/66/803666366.db2.gz HTMLCMUYQZHUNG-QLFBSQMISA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCn2ccnc2)[C@H](OC)C1 ZINC001213239728 803686201 /nfs/dbraw/zinc/68/62/01/803686201.db2.gz YFPHINHRQLQGJE-ZIAGYGMSSA-N 2 1 292.383 0.665 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335702 803734710 /nfs/dbraw/zinc/73/47/10/803734710.db2.gz GJVQVYOCYLLEGW-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001215001733 803770795 /nfs/dbraw/zinc/77/07/95/803770795.db2.gz QJRDYAMFGBRGJO-CHWSQXEVSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216226334 803836614 /nfs/dbraw/zinc/83/66/14/803836614.db2.gz SQSSBNMTFLPUDX-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216216811 803837368 /nfs/dbraw/zinc/83/73/68/803837368.db2.gz BJKANGOWQIPIGJ-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219236762 804243943 /nfs/dbraw/zinc/24/39/43/804243943.db2.gz ZZNPKZBDAFJYBH-LRDDRELGSA-N 2 1 286.379 0.903 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219906213 804445466 /nfs/dbraw/zinc/44/54/66/804445466.db2.gz GMMRGGAHEZISPD-NEPJUHHUSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219906213 804445473 /nfs/dbraw/zinc/44/54/73/804445473.db2.gz GMMRGGAHEZISPD-NEPJUHHUSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219906213 804445475 /nfs/dbraw/zinc/44/54/75/804445475.db2.gz GMMRGGAHEZISPD-NEPJUHHUSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219906213 804445481 /nfs/dbraw/zinc/44/54/81/804445481.db2.gz GMMRGGAHEZISPD-NEPJUHHUSA-N 2 1 269.389 0.064 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220072404 804493726 /nfs/dbraw/zinc/49/37/26/804493726.db2.gz UXNHQOOSIPNOOF-KGLIPLIRSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220072404 804493729 /nfs/dbraw/zinc/49/37/29/804493729.db2.gz UXNHQOOSIPNOOF-KGLIPLIRSA-N 2 1 293.411 0.045 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220342563 804577808 /nfs/dbraw/zinc/57/78/08/804577808.db2.gz GNRPHIUMNVUJLZ-RDBSUJKOSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220342563 804577813 /nfs/dbraw/zinc/57/78/13/804577813.db2.gz GNRPHIUMNVUJLZ-RDBSUJKOSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220682797 804648677 /nfs/dbraw/zinc/64/86/77/804648677.db2.gz ARGSPGZMIQOSKV-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220682797 804648682 /nfs/dbraw/zinc/64/86/82/804648682.db2.gz ARGSPGZMIQOSKV-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP N#Cc1cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)ccn1 ZINC001222511445 804909500 /nfs/dbraw/zinc/90/95/00/804909500.db2.gz XSVSECJBTLMTAJ-GJZGRUSLSA-N 2 1 271.368 0.479 20 30 CCEDMP COCC#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001226554704 805245996 /nfs/dbraw/zinc/24/59/96/805245996.db2.gz OMNJIAYSBXXMIK-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001277158467 805287388 /nfs/dbraw/zinc/28/73/88/805287388.db2.gz STJZAZUAWQUCOE-ZDUSSCGKSA-N 2 1 286.379 0.626 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001277252134 805400855 /nfs/dbraw/zinc/40/08/55/805400855.db2.gz DFEWMTWZAPIOBD-LBPRGKRZSA-N 2 1 267.373 0.132 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001277252134 805400861 /nfs/dbraw/zinc/40/08/61/805400861.db2.gz DFEWMTWZAPIOBD-LBPRGKRZSA-N 2 1 267.373 0.132 20 30 CCEDMP C#CCOC[C@@H](O)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246020939 807120298 /nfs/dbraw/zinc/12/02/98/807120298.db2.gz KJKOFPZYXNROLS-QWHCGFSZSA-N 2 1 258.337 0.150 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246020939 807120305 /nfs/dbraw/zinc/12/03/05/807120305.db2.gz KJKOFPZYXNROLS-QWHCGFSZSA-N 2 1 258.337 0.150 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246019738 807118864 /nfs/dbraw/zinc/11/88/64/807118864.db2.gz JNEVBIIJHUANPB-MELADBBJSA-N 2 1 254.374 0.304 20 30 CCEDMP C=CCC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246048704 807133269 /nfs/dbraw/zinc/13/32/69/807133269.db2.gz ZZXRATWZLUQFNS-IJEWVQPXSA-N 2 1 296.411 0.788 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001278437565 807195058 /nfs/dbraw/zinc/19/50/58/807195058.db2.gz FTLIIYKOKMDAEO-GDBMZVCRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001278437565 807195066 /nfs/dbraw/zinc/19/50/66/807195066.db2.gz FTLIIYKOKMDAEO-GDBMZVCRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001278437565 807195071 /nfs/dbraw/zinc/19/50/71/807195071.db2.gz FTLIIYKOKMDAEO-GDBMZVCRSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)COC ZINC001246303871 807216105 /nfs/dbraw/zinc/21/61/05/807216105.db2.gz AZWRMZDPYURYMR-RYUDHWBXSA-N 2 1 258.362 0.838 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246305381 807216912 /nfs/dbraw/zinc/21/69/12/807216912.db2.gz QRFPSJZRSCDKPU-MJBXVCDLSA-N 3 1 283.416 0.943 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCCN(C)C1 ZINC001246307810 807217539 /nfs/dbraw/zinc/21/75/39/807217539.db2.gz OQFSFYWSHAUQLX-KBPBESRZSA-N 2 1 283.416 0.897 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001278443480 807232575 /nfs/dbraw/zinc/23/25/75/807232575.db2.gz BBRIPCMTYYWVDT-HNNXBMFYSA-N 2 1 263.385 0.686 20 30 CCEDMP N#C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CCN1 ZINC001246556972 807286317 /nfs/dbraw/zinc/28/63/17/807286317.db2.gz IWCMKTVPAGDZKT-AVGNSLFASA-N 2 1 254.353 0.783 20 30 CCEDMP N#CC1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246824515 807396088 /nfs/dbraw/zinc/39/60/88/807396088.db2.gz YLVJTTBQQDKKGJ-UHFFFAOYSA-N 2 1 279.432 0.153 20 30 CCEDMP C#CCOC[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC001251848388 807720279 /nfs/dbraw/zinc/72/02/79/807720279.db2.gz ZZZKVULDXQYBLT-AWEZNQCLSA-N 2 1 254.374 0.415 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001251848388 807720283 /nfs/dbraw/zinc/72/02/83/807720283.db2.gz ZZZKVULDXQYBLT-AWEZNQCLSA-N 2 1 254.374 0.415 20 30 CCEDMP C#CCOC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001251885080 807734081 /nfs/dbraw/zinc/73/40/81/807734081.db2.gz NISSUUVMXAWRKN-KBPBESRZSA-N 2 1 254.374 0.319 20 30 CCEDMP C=C[C@@](C)(O)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001252554111 807909490 /nfs/dbraw/zinc/90/94/90/807909490.db2.gz BIERGXWRGZFPRP-MRXNPFEDSA-N 2 1 295.427 0.409 20 30 CCEDMP C=CCC[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001252617788 807920751 /nfs/dbraw/zinc/92/07/51/807920751.db2.gz KVOFUYRAPASZNF-CYBMUJFWSA-N 2 1 269.389 0.067 20 30 CCEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254677154 808272678 /nfs/dbraw/zinc/27/26/78/808272678.db2.gz QIRJRLXXNUGDIM-MCIONIFRSA-N 2 1 278.400 0.821 20 30 CCEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254677154 808272681 /nfs/dbraw/zinc/27/26/81/808272681.db2.gz QIRJRLXXNUGDIM-MCIONIFRSA-N 2 1 278.400 0.821 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CC=C ZINC001278860121 808350194 /nfs/dbraw/zinc/35/01/94/808350194.db2.gz PHBLSZLARPSGPZ-CABCVRRESA-N 2 1 293.411 0.021 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CC=C ZINC001278860121 808350203 /nfs/dbraw/zinc/35/02/03/808350203.db2.gz PHBLSZLARPSGPZ-CABCVRRESA-N 2 1 293.411 0.021 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CC=C ZINC001278860121 808350208 /nfs/dbraw/zinc/35/02/08/808350208.db2.gz PHBLSZLARPSGPZ-CABCVRRESA-N 2 1 293.411 0.021 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CC=C ZINC001278860121 808350219 /nfs/dbraw/zinc/35/02/19/808350219.db2.gz PHBLSZLARPSGPZ-CABCVRRESA-N 2 1 293.411 0.021 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001278868774 808390615 /nfs/dbraw/zinc/39/06/15/808390615.db2.gz IIQJNGBJUQABCD-UONOGXRCSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278868774 808390619 /nfs/dbraw/zinc/39/06/19/808390619.db2.gz IIQJNGBJUQABCD-UONOGXRCSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001278868774 808390627 /nfs/dbraw/zinc/39/06/27/808390627.db2.gz IIQJNGBJUQABCD-UONOGXRCSA-N 2 1 283.416 0.408 20 30 CCEDMP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)CC ZINC001278878085 808419388 /nfs/dbraw/zinc/41/93/88/808419388.db2.gz HWSIYTDQEULXDE-CQSZACIVSA-N 2 1 283.416 0.103 20 30 CCEDMP COC(=O)[C@@H](CCC[NH3+])[NH2+]C1CCC(C#N)CC1 ZINC001256956711 808571943 /nfs/dbraw/zinc/57/19/43/808571943.db2.gz ZZHFSQJDDBILFU-HTAVTVPLSA-N 2 1 253.346 0.939 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1CC ZINC001264065577 809626490 /nfs/dbraw/zinc/62/64/90/809626490.db2.gz WLEXQZOLTDSHKB-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1CC ZINC001264065577 809626492 /nfs/dbraw/zinc/62/64/92/809626492.db2.gz WLEXQZOLTDSHKB-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001264174029 809636138 /nfs/dbraw/zinc/63/61/38/809636138.db2.gz ORZONGYLVCRGHB-ZNMIVQPWSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001264406271 809653263 /nfs/dbraw/zinc/65/32/63/809653263.db2.gz XFUKHZQWMMNAJH-OKILXGFUSA-N 2 1 281.400 0.379 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076575091 815312114 /nfs/dbraw/zinc/31/21/14/815312114.db2.gz ZTFSPFREYPPBPS-LSDHHAIUSA-N 2 1 275.396 0.638 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(CC)CCO3)[C@@H]2C1 ZINC001076594330 815316235 /nfs/dbraw/zinc/31/62/35/815316235.db2.gz LTOFAACQWZDGPX-ZNMIVQPWSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001076594330 815316240 /nfs/dbraw/zinc/31/62/40/815316240.db2.gz LTOFAACQWZDGPX-ZNMIVQPWSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001076594330 815316243 /nfs/dbraw/zinc/31/62/43/815316243.db2.gz LTOFAACQWZDGPX-ZNMIVQPWSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076594330 815316258 /nfs/dbraw/zinc/31/62/58/815316258.db2.gz LTOFAACQWZDGPX-ZNMIVQPWSA-N 2 1 293.411 0.426 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)OC)C1 ZINC001265543203 809801586 /nfs/dbraw/zinc/80/15/86/809801586.db2.gz GOQNFLRJTXOMMR-KBXIAJHMSA-N 2 1 293.411 0.356 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)OC)C1 ZINC001265543203 809801593 /nfs/dbraw/zinc/80/15/93/809801593.db2.gz GOQNFLRJTXOMMR-KBXIAJHMSA-N 2 1 293.411 0.356 20 30 CCEDMP C#CCC[N@@H+](C)CCCNC(=O)C[NH+](C)C1CCC1 ZINC001265862642 809878717 /nfs/dbraw/zinc/87/87/17/809878717.db2.gz FREFFLHMPVLARG-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](C)CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001265862642 809878721 /nfs/dbraw/zinc/87/87/21/809878721.db2.gz FREFFLHMPVLARG-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](C)CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001265862642 809878724 /nfs/dbraw/zinc/87/87/24/809878724.db2.gz FREFFLHMPVLARG-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265930634 809897825 /nfs/dbraw/zinc/89/78/25/809897825.db2.gz FXTXEFZWMGPKKX-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001265936461 809899287 /nfs/dbraw/zinc/89/92/87/809899287.db2.gz ULEJMEGFMGXXKY-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001267304782 811125773 /nfs/dbraw/zinc/12/57/73/811125773.db2.gz MAUWKHAYIZRDOB-HNNXBMFYSA-N 2 1 293.411 0.170 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001267304782 811125777 /nfs/dbraw/zinc/12/57/77/811125777.db2.gz MAUWKHAYIZRDOB-HNNXBMFYSA-N 2 1 293.411 0.170 20 30 CCEDMP C#CC[NH+](CCCNC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001267341518 811179354 /nfs/dbraw/zinc/17/93/54/811179354.db2.gz YMPAUDFNNSLKKO-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+](CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001267341518 811179358 /nfs/dbraw/zinc/17/93/58/811179358.db2.gz YMPAUDFNNSLKKO-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C(C)C ZINC001267341518 811179361 /nfs/dbraw/zinc/17/93/61/811179361.db2.gz YMPAUDFNNSLKKO-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C(C)C ZINC001267341518 811179363 /nfs/dbraw/zinc/17/93/63/811179363.db2.gz YMPAUDFNNSLKKO-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001098582531 811266324 /nfs/dbraw/zinc/26/63/24/811266324.db2.gz UUVQNXQEWTUXMV-UHFFFAOYSA-N 2 1 292.383 0.354 20 30 CCEDMP CC#CC[NH2+]CCN(C)C(=O)CC[N@H+](C)CCC ZINC001267459434 811323242 /nfs/dbraw/zinc/32/32/42/811323242.db2.gz SXZCXDBHRFINJM-UHFFFAOYSA-N 2 1 253.390 0.790 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267693206 811658191 /nfs/dbraw/zinc/65/81/91/811658191.db2.gz WGHIPOMRGGLHKC-CYBMUJFWSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001028098444 812276516 /nfs/dbraw/zinc/27/65/16/812276516.db2.gz QPBSPYJIIHWGHP-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001028098444 812276528 /nfs/dbraw/zinc/27/65/28/812276528.db2.gz QPBSPYJIIHWGHP-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001028098444 812276532 /nfs/dbraw/zinc/27/65/32/812276532.db2.gz QPBSPYJIIHWGHP-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001268183577 812350919 /nfs/dbraw/zinc/35/09/19/812350919.db2.gz KFEDPHVPRFWZSZ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001268183577 812350926 /nfs/dbraw/zinc/35/09/26/812350926.db2.gz KFEDPHVPRFWZSZ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001268183577 812350933 /nfs/dbraw/zinc/35/09/33/812350933.db2.gz KFEDPHVPRFWZSZ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001268183577 812350934 /nfs/dbraw/zinc/35/09/34/812350934.db2.gz KFEDPHVPRFWZSZ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001268256819 812424372 /nfs/dbraw/zinc/42/43/72/812424372.db2.gz LRDNWPGUIBANHH-CYBMUJFWSA-N 2 1 253.390 0.904 20 30 CCEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268256819 812424375 /nfs/dbraw/zinc/42/43/75/812424375.db2.gz LRDNWPGUIBANHH-CYBMUJFWSA-N 2 1 253.390 0.904 20 30 CCEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268256819 812424380 /nfs/dbraw/zinc/42/43/80/812424380.db2.gz LRDNWPGUIBANHH-CYBMUJFWSA-N 2 1 253.390 0.904 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075619707 812474175 /nfs/dbraw/zinc/47/41/75/812474175.db2.gz LYGIFIJCNNPAKL-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075619707 812474179 /nfs/dbraw/zinc/47/41/79/812474179.db2.gz LYGIFIJCNNPAKL-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075619707 812474184 /nfs/dbraw/zinc/47/41/84/812474184.db2.gz LYGIFIJCNNPAKL-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001268324101 812488096 /nfs/dbraw/zinc/48/80/96/812488096.db2.gz LVWPATUDJLEDAP-LBPRGKRZSA-N 2 1 280.372 0.259 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028267921 812534210 /nfs/dbraw/zinc/53/42/10/812534210.db2.gz OPBCKWVBNYSASY-CQSZACIVSA-N 2 1 275.396 0.686 20 30 CCEDMP CC#CC[NH2+]CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268399491 812544973 /nfs/dbraw/zinc/54/49/73/812544973.db2.gz HRVRAXNQVPJJQL-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028464878 812734186 /nfs/dbraw/zinc/73/41/86/812734186.db2.gz GRQQCCNIZXPSTQ-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028464878 812734188 /nfs/dbraw/zinc/73/41/88/812734188.db2.gz GRQQCCNIZXPSTQ-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028464878 812734194 /nfs/dbraw/zinc/73/41/94/812734194.db2.gz GRQQCCNIZXPSTQ-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028464878 812734198 /nfs/dbraw/zinc/73/41/98/812734198.db2.gz GRQQCCNIZXPSTQ-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028545363 812832295 /nfs/dbraw/zinc/83/22/95/812832295.db2.gz PBEYPECOTFFGJN-DZGCQCFKSA-N 2 1 275.396 0.400 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001268756375 813067668 /nfs/dbraw/zinc/06/76/68/813067668.db2.gz JMYXHZNNHYXIFX-KGLIPLIRSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268756375 813067676 /nfs/dbraw/zinc/06/76/76/813067676.db2.gz JMYXHZNNHYXIFX-KGLIPLIRSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268756375 813067685 /nfs/dbraw/zinc/06/76/85/813067685.db2.gz JMYXHZNNHYXIFX-KGLIPLIRSA-N 2 1 281.400 0.024 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028636226 813072010 /nfs/dbraw/zinc/07/20/10/813072010.db2.gz MKZUEFQGFFZZAX-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001028636226 813072017 /nfs/dbraw/zinc/07/20/17/813072017.db2.gz MKZUEFQGFFZZAX-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028636226 813072022 /nfs/dbraw/zinc/07/20/22/813072022.db2.gz MKZUEFQGFFZZAX-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001268912011 813141952 /nfs/dbraw/zinc/14/19/52/813141952.db2.gz XKUZVZWXUZJEFR-UHFFFAOYSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001269105530 813218994 /nfs/dbraw/zinc/21/89/94/813218994.db2.gz VHJCMORZTHXBMC-KGLIPLIRSA-N 2 1 263.385 0.588 20 30 CCEDMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#CCOC ZINC001269409204 813361016 /nfs/dbraw/zinc/36/10/16/813361016.db2.gz XANOFPQTRJRKKF-QLFBSQMISA-N 2 1 295.427 0.461 20 30 CCEDMP C=CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001270101805 813635979 /nfs/dbraw/zinc/63/59/79/813635979.db2.gz AYQYJWVIWIDVMN-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001270101805 813635984 /nfs/dbraw/zinc/63/59/84/813635984.db2.gz AYQYJWVIWIDVMN-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001270150094 813653119 /nfs/dbraw/zinc/65/31/19/813653119.db2.gz CFWFLWKSUIAXAJ-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001028996328 813736030 /nfs/dbraw/zinc/73/60/30/813736030.db2.gz DWQIJTPHOJOLQE-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001028996328 813736038 /nfs/dbraw/zinc/73/60/38/813736038.db2.gz DWQIJTPHOJOLQE-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001028996328 813736044 /nfs/dbraw/zinc/73/60/44/813736044.db2.gz DWQIJTPHOJOLQE-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028996328 813736050 /nfs/dbraw/zinc/73/60/50/813736050.db2.gz DWQIJTPHOJOLQE-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001270389614 813742895 /nfs/dbraw/zinc/74/28/95/813742895.db2.gz ULLQWZMGKTYEMX-LSDHHAIUSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001270389614 813742897 /nfs/dbraw/zinc/74/28/97/813742897.db2.gz ULLQWZMGKTYEMX-LSDHHAIUSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001270436471 813762845 /nfs/dbraw/zinc/76/28/45/813762845.db2.gz ODZMEWVWPFWGJB-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271206789 814334418 /nfs/dbraw/zinc/33/44/18/814334418.db2.gz HTPDEDCSLSGZFD-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001271996232 814670899 /nfs/dbraw/zinc/67/08/99/814670899.db2.gz JWDCGQDOMGLWJL-ZBFHGGJFSA-N 2 1 295.427 0.457 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271996232 814670904 /nfs/dbraw/zinc/67/09/04/814670904.db2.gz JWDCGQDOMGLWJL-ZBFHGGJFSA-N 2 1 295.427 0.457 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271996232 814670907 /nfs/dbraw/zinc/67/09/07/814670907.db2.gz JWDCGQDOMGLWJL-ZBFHGGJFSA-N 2 1 295.427 0.457 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001271996229 814671037 /nfs/dbraw/zinc/67/10/37/814671037.db2.gz JWDCGQDOMGLWJL-GOEBONIOSA-N 2 1 295.427 0.457 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271996229 814671039 /nfs/dbraw/zinc/67/10/39/814671039.db2.gz JWDCGQDOMGLWJL-GOEBONIOSA-N 2 1 295.427 0.457 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271996229 814671041 /nfs/dbraw/zinc/67/10/41/814671041.db2.gz JWDCGQDOMGLWJL-GOEBONIOSA-N 2 1 295.427 0.457 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001089052864 816226586 /nfs/dbraw/zinc/22/65/86/816226586.db2.gz AXGHLCSHRQXRRI-ILXRZTDVSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001089052864 816226590 /nfs/dbraw/zinc/22/65/90/816226590.db2.gz AXGHLCSHRQXRRI-ILXRZTDVSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089052864 816226593 /nfs/dbraw/zinc/22/65/93/816226593.db2.gz AXGHLCSHRQXRRI-ILXRZTDVSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089052864 816226597 /nfs/dbraw/zinc/22/65/97/816226597.db2.gz AXGHLCSHRQXRRI-ILXRZTDVSA-N 2 1 293.411 0.309 20 30 CCEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC001121931740 816487168 /nfs/dbraw/zinc/48/71/68/816487168.db2.gz ROBBYELPWJZWIE-GRYCIOLGSA-N 2 1 250.346 0.087 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749775 816979206 /nfs/dbraw/zinc/97/92/06/816979206.db2.gz QDEFWVAESFDJAV-KGLIPLIRSA-N 2 1 281.400 0.066 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(=C)C)C1 ZINC001031740686 817304661 /nfs/dbraw/zinc/30/46/61/817304661.db2.gz INJSRROHSHODRS-HNNXBMFYSA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(=C)C)C1 ZINC001031740686 817304670 /nfs/dbraw/zinc/30/46/70/817304670.db2.gz INJSRROHSHODRS-HNNXBMFYSA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001127679955 817445172 /nfs/dbraw/zinc/44/51/72/817445172.db2.gz QRWMHKQEBJQYDV-GFCCVEGCSA-N 2 1 262.357 0.736 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001077572733 817455966 /nfs/dbraw/zinc/45/59/66/817455966.db2.gz KJUGXTCTLYYAGO-BYNSBNAKSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077572733 817455972 /nfs/dbraw/zinc/45/59/72/817455972.db2.gz KJUGXTCTLYYAGO-BYNSBNAKSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077572733 817455975 /nfs/dbraw/zinc/45/59/75/817455975.db2.gz KJUGXTCTLYYAGO-BYNSBNAKSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031978435 817517096 /nfs/dbraw/zinc/51/70/96/817517096.db2.gz SSNKPNGEJVRMKV-AAEUAGOBSA-N 2 1 251.374 0.418 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001031986879 817524704 /nfs/dbraw/zinc/52/47/04/817524704.db2.gz IKUMVHQEMCTUFY-ZIAGYGMSSA-N 2 1 286.379 0.595 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001032315165 817847609 /nfs/dbraw/zinc/84/76/09/817847609.db2.gz DALTZSPAOOIKOA-MELADBBJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001032315165 817847615 /nfs/dbraw/zinc/84/76/15/817847615.db2.gz DALTZSPAOOIKOA-MELADBBJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001032315165 817847622 /nfs/dbraw/zinc/84/76/22/817847622.db2.gz DALTZSPAOOIKOA-MELADBBJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001077675331 817980881 /nfs/dbraw/zinc/98/08/81/817980881.db2.gz JIZISWZBRYLDLY-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077675331 817980883 /nfs/dbraw/zinc/98/08/83/817980883.db2.gz JIZISWZBRYLDLY-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675331 817980888 /nfs/dbraw/zinc/98/08/88/817980888.db2.gz JIZISWZBRYLDLY-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675331 817980892 /nfs/dbraw/zinc/98/08/92/817980892.db2.gz JIZISWZBRYLDLY-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033083246 818498798 /nfs/dbraw/zinc/49/87/98/818498798.db2.gz WJCAPBJTBARORW-CVEARBPZSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033580456 818836473 /nfs/dbraw/zinc/83/64/73/818836473.db2.gz FBKXGBSZEVAFGZ-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033580456 818836475 /nfs/dbraw/zinc/83/64/75/818836475.db2.gz FBKXGBSZEVAFGZ-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033580456 818836480 /nfs/dbraw/zinc/83/64/80/818836480.db2.gz FBKXGBSZEVAFGZ-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594867 818842689 /nfs/dbraw/zinc/84/26/89/818842689.db2.gz RXPARYJTEXGMCG-CYBMUJFWSA-N 2 1 261.369 0.248 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594867 818842691 /nfs/dbraw/zinc/84/26/91/818842691.db2.gz RXPARYJTEXGMCG-CYBMUJFWSA-N 2 1 261.369 0.248 20 30 CCEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034528774 819230265 /nfs/dbraw/zinc/23/02/65/819230265.db2.gz QVTFSNVDRTTWQZ-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034528774 819230268 /nfs/dbraw/zinc/23/02/68/819230268.db2.gz QVTFSNVDRTTWQZ-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001080979675 820662666 /nfs/dbraw/zinc/66/26/66/820662666.db2.gz XICLRIDIMWSFCX-MCIONIFRSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001080979675 820662671 /nfs/dbraw/zinc/66/26/71/820662671.db2.gz XICLRIDIMWSFCX-MCIONIFRSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080979675 820662677 /nfs/dbraw/zinc/66/26/77/820662677.db2.gz XICLRIDIMWSFCX-MCIONIFRSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080979675 820662685 /nfs/dbraw/zinc/66/26/85/820662685.db2.gz XICLRIDIMWSFCX-MCIONIFRSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H](OC)C1 ZINC001081766778 820834953 /nfs/dbraw/zinc/83/49/53/820834953.db2.gz CUDKUIBSDCIVHO-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](OC)C1 ZINC001081766778 820834964 /nfs/dbraw/zinc/83/49/64/820834964.db2.gz CUDKUIBSDCIVHO-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766778 820834971 /nfs/dbraw/zinc/83/49/71/820834971.db2.gz CUDKUIBSDCIVHO-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766778 820834980 /nfs/dbraw/zinc/83/49/80/820834980.db2.gz CUDKUIBSDCIVHO-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182461 821160330 /nfs/dbraw/zinc/16/03/30/821160330.db2.gz GECXWQQHYSEDMB-LSDHHAIUSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182461 821160334 /nfs/dbraw/zinc/16/03/34/821160334.db2.gz GECXWQQHYSEDMB-LSDHHAIUSA-N 2 1 293.411 0.426 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059722 821191036 /nfs/dbraw/zinc/19/10/36/821191036.db2.gz WDICYEOGMMDTGO-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059722 821191040 /nfs/dbraw/zinc/19/10/40/821191040.db2.gz WDICYEOGMMDTGO-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084448481 821290914 /nfs/dbraw/zinc/29/09/14/821290914.db2.gz ZEHRJNAGQAFBHO-MGPQQGTHSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084448481 821290920 /nfs/dbraw/zinc/29/09/20/821290920.db2.gz ZEHRJNAGQAFBHO-MGPQQGTHSA-N 2 1 263.385 0.493 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001084523719 821307178 /nfs/dbraw/zinc/30/71/78/821307178.db2.gz STMHQXBYUSCABL-ZIAGYGMSSA-N 2 1 274.368 0.910 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001084523719 821307181 /nfs/dbraw/zinc/30/71/81/821307181.db2.gz STMHQXBYUSCABL-ZIAGYGMSSA-N 2 1 274.368 0.910 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3cncn3C)[C@@H]2C1 ZINC001084806115 821396769 /nfs/dbraw/zinc/39/67/69/821396769.db2.gz YQMQEHXPIQVSCH-UKRRQHHQSA-N 2 1 286.379 0.519 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001086177342 822143796 /nfs/dbraw/zinc/14/37/96/822143796.db2.gz PLKDDYXSFYFEQN-ZQDZILKHSA-N 2 1 277.412 0.834 20 30 CCEDMP C=CC[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130653675 837879206 /nfs/dbraw/zinc/87/92/06/837879206.db2.gz UNXSCIFJDPBVAV-UHFFFAOYSA-N 2 1 252.318 0.242 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129384812 836630157 /nfs/dbraw/zinc/63/01/57/836630157.db2.gz AAHSIZVYLSMFNC-ZDUSSCGKSA-N 2 1 279.388 0.095 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090436381 836781087 /nfs/dbraw/zinc/78/10/87/836781087.db2.gz QDDDSIPDDJZVEI-CABCVRRESA-N 2 1 298.346 0.133 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090491341 837893387 /nfs/dbraw/zinc/89/33/87/837893387.db2.gz ZRDRFXOSAUSCFZ-KBPBESRZSA-N 2 1 295.427 0.598 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184810970 844290237 /nfs/dbraw/zinc/29/02/37/844290237.db2.gz SYOOASFOHVJLNJ-ZFWWWQNUSA-N 2 1 288.395 0.899 20 30 CCEDMP C=CC[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131417534 838091023 /nfs/dbraw/zinc/09/10/23/838091023.db2.gz BOJZNGUQXRQLLK-UHFFFAOYSA-N 2 1 262.357 0.654 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520088 838121481 /nfs/dbraw/zinc/12/14/81/838121481.db2.gz UACAYTRXEQHGFA-BBBYJDLNSA-N 2 1 293.411 0.522 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266313 838349527 /nfs/dbraw/zinc/34/95/27/838349527.db2.gz WPAYUGLTXNUTAA-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266313 838349530 /nfs/dbraw/zinc/34/95/30/838349530.db2.gz WPAYUGLTXNUTAA-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886039 838511771 /nfs/dbraw/zinc/51/17/71/838511771.db2.gz AQOYBVFIEOTKQB-KBPBESRZSA-N 2 1 283.416 0.625 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185136530 844349325 /nfs/dbraw/zinc/34/93/25/844349325.db2.gz GWHDTDMOXXASNC-CABCVRRESA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185136530 844349337 /nfs/dbraw/zinc/34/93/37/844349337.db2.gz GWHDTDMOXXASNC-CABCVRRESA-N 2 1 293.411 0.309 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135093830 839163474 /nfs/dbraw/zinc/16/34/74/839163474.db2.gz STHKLBBXDGQMAO-OLZOCXBDSA-N 2 1 251.374 0.895 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135861131 839446042 /nfs/dbraw/zinc/44/60/42/839446042.db2.gz MOHTVTBVIBUTRQ-GJZGRUSLSA-N 2 1 297.443 0.851 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001091025949 839993598 /nfs/dbraw/zinc/99/35/98/839993598.db2.gz AXMVIOLUIJOUJW-NRXISQOPSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC)C1 ZINC001091076422 840035777 /nfs/dbraw/zinc/03/57/77/840035777.db2.gz ZIFAGJJITKRHAN-RUXDESIVSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC)C1 ZINC001091076422 840035786 /nfs/dbraw/zinc/03/57/86/840035786.db2.gz ZIFAGJJITKRHAN-RUXDESIVSA-N 2 1 263.385 0.588 20 30 CCEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148469778 840809653 /nfs/dbraw/zinc/80/96/53/840809653.db2.gz UZQWJPQBMCFXLC-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091788058 840965261 /nfs/dbraw/zinc/96/52/61/840965261.db2.gz RGTUVUGHWTUANI-INMHGKMJSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091788058 840965271 /nfs/dbraw/zinc/96/52/71/840965271.db2.gz RGTUVUGHWTUANI-INMHGKMJSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091788058 840965281 /nfs/dbraw/zinc/96/52/81/840965281.db2.gz RGTUVUGHWTUANI-INMHGKMJSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092272299 841003450 /nfs/dbraw/zinc/00/34/50/841003450.db2.gz DBJWLLPFJDNVEW-UXLLHSPISA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272299 841003457 /nfs/dbraw/zinc/00/34/57/841003457.db2.gz DBJWLLPFJDNVEW-UXLLHSPISA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272299 841003466 /nfs/dbraw/zinc/00/34/66/841003466.db2.gz DBJWLLPFJDNVEW-UXLLHSPISA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092507888 841030739 /nfs/dbraw/zinc/03/07/39/841030739.db2.gz OJHNVWVSRXSBSB-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092507888 841030745 /nfs/dbraw/zinc/03/07/45/841030745.db2.gz OJHNVWVSRXSBSB-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092507888 841030753 /nfs/dbraw/zinc/03/07/53/841030753.db2.gz OJHNVWVSRXSBSB-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773663 841192338 /nfs/dbraw/zinc/19/23/38/841192338.db2.gz QOSMWIPHIWBMTG-CABCVRRESA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773663 841192343 /nfs/dbraw/zinc/19/23/43/841192343.db2.gz QOSMWIPHIWBMTG-CABCVRRESA-N 2 1 286.379 0.748 20 30 CCEDMP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112952 841853103 /nfs/dbraw/zinc/85/31/03/841853103.db2.gz BBPCVSAZFXTIRC-NWBUJAPZSA-N 2 1 267.373 0.827 20 30 CCEDMP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112952 841853113 /nfs/dbraw/zinc/85/31/13/841853113.db2.gz BBPCVSAZFXTIRC-NWBUJAPZSA-N 2 1 267.373 0.827 20 30 CCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001175728902 842275160 /nfs/dbraw/zinc/27/51/60/842275160.db2.gz GOTYMLFSKXBIBR-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)CC[NH+]1CCOCC1 ZINC001179831569 843060590 /nfs/dbraw/zinc/06/05/90/843060590.db2.gz IHTDEJXMTRRMDH-UHFFFAOYSA-N 2 1 295.427 0.608 20 30 CCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180899767 843334937 /nfs/dbraw/zinc/33/49/37/843334937.db2.gz PLEHOMOBDDUOPQ-IIAWOOMASA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001183086177 843961974 /nfs/dbraw/zinc/96/19/74/843961974.db2.gz RTBCRKMWTOJYKR-UHFFFAOYSA-N 2 1 293.411 0.619 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001189912936 845265561 /nfs/dbraw/zinc/26/55/61/845265561.db2.gz KYGDJIKLZBJKQZ-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189912936 845265569 /nfs/dbraw/zinc/26/55/69/845265569.db2.gz KYGDJIKLZBJKQZ-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189912936 845265576 /nfs/dbraw/zinc/26/55/76/845265576.db2.gz KYGDJIKLZBJKQZ-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170393 845796313 /nfs/dbraw/zinc/79/63/13/845796313.db2.gz KVHNGIIYQZAEQD-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487786 846092495 /nfs/dbraw/zinc/09/24/95/846092495.db2.gz FRAXDMQVDURKSN-AWEZNQCLSA-N 2 1 281.400 0.121 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194728847 846381029 /nfs/dbraw/zinc/38/10/29/846381029.db2.gz JDLAVCSBTBQIAS-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194728847 846381037 /nfs/dbraw/zinc/38/10/37/846381037.db2.gz JDLAVCSBTBQIAS-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023754 847203803 /nfs/dbraw/zinc/20/38/03/847203803.db2.gz OLKOALDWMKUHQU-HUUCEWRRSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114357875 848026247 /nfs/dbraw/zinc/02/62/47/848026247.db2.gz LHMPWVCQAIGOND-RQJABVFESA-N 2 1 283.391 0.899 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114358385 848026476 /nfs/dbraw/zinc/02/64/76/848026476.db2.gz UYDUGWDXUZBODM-RQJABVFESA-N 2 1 281.375 0.346 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114407124 848047502 /nfs/dbraw/zinc/04/75/02/848047502.db2.gz RWJXFTRXMZUNIN-WDNDVIMCSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114438366 848064417 /nfs/dbraw/zinc/06/44/17/848064417.db2.gz AIWUFHPPBOQHOX-DGAVXFQQSA-N 2 1 263.385 0.252 20 30 CCEDMP C=CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001274006981 848297176 /nfs/dbraw/zinc/29/71/76/848297176.db2.gz JUIOTORYWIKRHH-CQSZACIVSA-N 2 1 295.427 0.769 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC001137249380 848386722 /nfs/dbraw/zinc/38/67/22/848386722.db2.gz FPZLMZUWGFPJIF-ZDUSSCGKSA-N 2 1 297.399 0.200 20 30 CCEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001274572844 848509608 /nfs/dbraw/zinc/50/96/08/848509608.db2.gz ORVVTCGEZBQDFU-UHFFFAOYSA-N 2 1 297.443 0.847 20 30 CCEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275573958 848765794 /nfs/dbraw/zinc/76/57/94/848765794.db2.gz KXSLHRMJZGDRPW-ZDUSSCGKSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001275581419 848768525 /nfs/dbraw/zinc/76/85/25/848768525.db2.gz DAPZASCCIRVBGX-YNEHKIRRSA-N 2 1 274.368 0.973 20 30 CCEDMP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001275581419 848768527 /nfs/dbraw/zinc/76/85/27/848768527.db2.gz DAPZASCCIRVBGX-YNEHKIRRSA-N 2 1 274.368 0.973 20 30 CCEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001275581419 848768530 /nfs/dbraw/zinc/76/85/30/848768530.db2.gz DAPZASCCIRVBGX-YNEHKIRRSA-N 2 1 274.368 0.973 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3cncc3C1)C2 ZINC001095639530 849003879 /nfs/dbraw/zinc/00/38/79/849003879.db2.gz HMOXRYKIGGYECI-XRGAULLZSA-N 2 1 298.390 0.800 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3cncc3C1)C2 ZINC001095639530 849003882 /nfs/dbraw/zinc/00/38/82/849003882.db2.gz HMOXRYKIGGYECI-XRGAULLZSA-N 2 1 298.390 0.800 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038399194 849881147 /nfs/dbraw/zinc/88/11/47/849881147.db2.gz LBIRUXAEWGEQFF-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038399194 849881154 /nfs/dbraw/zinc/88/11/54/849881154.db2.gz LBIRUXAEWGEQFF-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038399194 849881167 /nfs/dbraw/zinc/88/11/67/849881167.db2.gz LBIRUXAEWGEQFF-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038399194 849881173 /nfs/dbraw/zinc/88/11/73/849881173.db2.gz LBIRUXAEWGEQFF-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038657555 849973683 /nfs/dbraw/zinc/97/36/83/849973683.db2.gz LBJBURQKHACQTD-ZDUSSCGKSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038657555 849973687 /nfs/dbraw/zinc/97/36/87/849973687.db2.gz LBJBURQKHACQTD-ZDUSSCGKSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCC)CC1 ZINC001039042606 850137688 /nfs/dbraw/zinc/13/76/88/850137688.db2.gz UQMAKZMHFHDJPX-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041141576 850384803 /nfs/dbraw/zinc/38/48/03/850384803.db2.gz OOLRCUSCEYIHBI-HOCLYGCPSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041141576 850384806 /nfs/dbraw/zinc/38/48/06/850384806.db2.gz OOLRCUSCEYIHBI-HOCLYGCPSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041141576 850384817 /nfs/dbraw/zinc/38/48/17/850384817.db2.gz OOLRCUSCEYIHBI-HOCLYGCPSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041828864 850506379 /nfs/dbraw/zinc/50/63/79/850506379.db2.gz JKSKANJXVVXEDH-GDBMZVCRSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041828864 850506384 /nfs/dbraw/zinc/50/63/84/850506384.db2.gz JKSKANJXVVXEDH-GDBMZVCRSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041828864 850506392 /nfs/dbraw/zinc/50/63/92/850506392.db2.gz JKSKANJXVVXEDH-GDBMZVCRSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046198246 851417658 /nfs/dbraw/zinc/41/76/58/851417658.db2.gz UCXOEQHOFBCRMW-HIFRSBDPSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046198246 851417669 /nfs/dbraw/zinc/41/76/69/851417669.db2.gz UCXOEQHOFBCRMW-HIFRSBDPSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046198246 851417677 /nfs/dbraw/zinc/41/76/77/851417677.db2.gz UCXOEQHOFBCRMW-HIFRSBDPSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046830829 851625260 /nfs/dbraw/zinc/62/52/60/851625260.db2.gz BSIVAXGHPKDTII-DZGCQCFKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046830829 851625265 /nfs/dbraw/zinc/62/52/65/851625265.db2.gz BSIVAXGHPKDTII-DZGCQCFKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046830829 851625269 /nfs/dbraw/zinc/62/52/69/851625269.db2.gz BSIVAXGHPKDTII-DZGCQCFKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC)C[C@@H]2C1 ZINC001048870301 852089243 /nfs/dbraw/zinc/08/92/43/852089243.db2.gz XBSZXNCPZYVOFX-ZNMIVQPWSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC)C[C@@H]2C1 ZINC001048870301 852089247 /nfs/dbraw/zinc/08/92/47/852089247.db2.gz XBSZXNCPZYVOFX-ZNMIVQPWSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC)C[C@@H]2C1 ZINC001048870301 852089250 /nfs/dbraw/zinc/08/92/50/852089250.db2.gz XBSZXNCPZYVOFX-ZNMIVQPWSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC)C[C@@H]2C1 ZINC001048870301 852089253 /nfs/dbraw/zinc/08/92/53/852089253.db2.gz XBSZXNCPZYVOFX-ZNMIVQPWSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052932268 852671705 /nfs/dbraw/zinc/67/17/05/852671705.db2.gz KPXXLLZZHVQGQL-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052932268 852671700 /nfs/dbraw/zinc/67/17/00/852671700.db2.gz KPXXLLZZHVQGQL-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052932268 852671702 /nfs/dbraw/zinc/67/17/02/852671702.db2.gz KPXXLLZZHVQGQL-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001050183808 853331674 /nfs/dbraw/zinc/33/16/74/853331674.db2.gz SUDZKRIJHBXJDF-LSDHHAIUSA-N 2 1 287.407 0.638 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050202727 853335788 /nfs/dbraw/zinc/33/57/88/853335788.db2.gz RSSYKEWDSVUWIY-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050202727 853335796 /nfs/dbraw/zinc/33/57/96/853335796.db2.gz RSSYKEWDSVUWIY-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050202727 853335805 /nfs/dbraw/zinc/33/58/05/853335805.db2.gz RSSYKEWDSVUWIY-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1C[C@H](NC(=O)Cc2cncn2C)CC[C@@H]1C ZINC001071994325 854332846 /nfs/dbraw/zinc/33/28/46/854332846.db2.gz FDEZULUILQHQKC-UONOGXRCSA-N 2 1 288.395 0.955 20 30 CCEDMP CC#CCN1C[C@H](NC(=O)Cc2cncn2C)CC[C@@H]1C ZINC001071994325 854332851 /nfs/dbraw/zinc/33/28/51/854332851.db2.gz FDEZULUILQHQKC-UONOGXRCSA-N 2 1 288.395 0.955 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661695 854626050 /nfs/dbraw/zinc/62/60/50/854626050.db2.gz BUAHTHVOMGGSAY-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001073661695 854626033 /nfs/dbraw/zinc/62/60/33/854626033.db2.gz BUAHTHVOMGGSAY-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661695 854626039 /nfs/dbraw/zinc/62/60/39/854626039.db2.gz BUAHTHVOMGGSAY-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886438 854656915 /nfs/dbraw/zinc/65/69/15/854656915.db2.gz OGRKPVORMRQAGH-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886438 854656917 /nfs/dbraw/zinc/65/69/17/854656917.db2.gz OGRKPVORMRQAGH-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886437 854657200 /nfs/dbraw/zinc/65/72/00/854657200.db2.gz OGRKPVORMRQAGH-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886437 854657209 /nfs/dbraw/zinc/65/72/09/854657209.db2.gz OGRKPVORMRQAGH-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886578 854657641 /nfs/dbraw/zinc/65/76/41/854657641.db2.gz RSXNJRYUNGAPRF-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886578 854657645 /nfs/dbraw/zinc/65/76/45/854657645.db2.gz RSXNJRYUNGAPRF-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099899989 855024625 /nfs/dbraw/zinc/02/46/25/855024625.db2.gz ZOEYTBQCBJZBOP-KBPBESRZSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899989 855024634 /nfs/dbraw/zinc/02/46/34/855024634.db2.gz ZOEYTBQCBJZBOP-KBPBESRZSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899989 855024644 /nfs/dbraw/zinc/02/46/44/855024644.db2.gz ZOEYTBQCBJZBOP-KBPBESRZSA-N 2 1 297.443 0.844 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100125334 855101990 /nfs/dbraw/zinc/10/19/90/855101990.db2.gz WETMYWOPMHUNEE-HUUCEWRRSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100125334 855101992 /nfs/dbraw/zinc/10/19/92/855101992.db2.gz WETMYWOPMHUNEE-HUUCEWRRSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101341462 855284052 /nfs/dbraw/zinc/28/40/52/855284052.db2.gz JYFGQNVIDLQXRV-ZBFHGGJFSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318970 855427531 /nfs/dbraw/zinc/42/75/31/855427531.db2.gz SNGSOUNNCAIDHD-ZIAGYGMSSA-N 2 1 265.401 0.646 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102781996 855469799 /nfs/dbraw/zinc/46/97/99/855469799.db2.gz GAFVQGXONKKTCH-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102781996 855469793 /nfs/dbraw/zinc/46/97/93/855469793.db2.gz GAFVQGXONKKTCH-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102781996 855469797 /nfs/dbraw/zinc/46/97/97/855469797.db2.gz GAFVQGXONKKTCH-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001493357426 892262704 /nfs/dbraw/zinc/26/27/04/892262704.db2.gz QEUDUEPJNBZMIE-CYBMUJFWSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001493357426 892262719 /nfs/dbraw/zinc/26/27/19/892262719.db2.gz QEUDUEPJNBZMIE-CYBMUJFWSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001493357426 892262730 /nfs/dbraw/zinc/26/27/30/892262730.db2.gz QEUDUEPJNBZMIE-CYBMUJFWSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001493357427 892266111 /nfs/dbraw/zinc/26/61/11/892266111.db2.gz QEUDUEPJNBZMIE-ZDUSSCGKSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001493357427 892266119 /nfs/dbraw/zinc/26/61/19/892266119.db2.gz QEUDUEPJNBZMIE-ZDUSSCGKSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001493357427 892266138 /nfs/dbraw/zinc/26/61/38/892266138.db2.gz QEUDUEPJNBZMIE-ZDUSSCGKSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001481503267 892752309 /nfs/dbraw/zinc/75/23/09/892752309.db2.gz GZZPUNGEFVUESM-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481506807 892753980 /nfs/dbraw/zinc/75/39/80/892753980.db2.gz LCZAYKKIUPVORA-KGLIPLIRSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001481506807 892753989 /nfs/dbraw/zinc/75/39/89/892753989.db2.gz LCZAYKKIUPVORA-KGLIPLIRSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481506807 892753996 /nfs/dbraw/zinc/75/39/96/892753996.db2.gz LCZAYKKIUPVORA-KGLIPLIRSA-N 2 1 265.401 0.904 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001481702928 893044622 /nfs/dbraw/zinc/04/46/22/893044622.db2.gz AIJXQTJLPBZORI-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001481702928 893044644 /nfs/dbraw/zinc/04/46/44/893044644.db2.gz AIJXQTJLPBZORI-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001481702928 893044663 /nfs/dbraw/zinc/04/46/63/893044663.db2.gz AIJXQTJLPBZORI-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]C(C)C ZINC001482296332 893796912 /nfs/dbraw/zinc/79/69/12/893796912.db2.gz IRPKOCCTYPOEPE-KBPBESRZSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]C(C)C ZINC001482296332 893796923 /nfs/dbraw/zinc/79/69/23/893796923.db2.gz IRPKOCCTYPOEPE-KBPBESRZSA-N 2 1 265.401 0.929 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199952 894139699 /nfs/dbraw/zinc/13/96/99/894139699.db2.gz JVUMDRNBEDYGQJ-PMPSAXMXSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199952 894139712 /nfs/dbraw/zinc/13/97/12/894139712.db2.gz JVUMDRNBEDYGQJ-PMPSAXMXSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199952 894139719 /nfs/dbraw/zinc/13/97/19/894139719.db2.gz JVUMDRNBEDYGQJ-PMPSAXMXSA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001482744694 894562386 /nfs/dbraw/zinc/56/23/86/894562386.db2.gz AKFTXFUADPRSFS-KBPBESRZSA-N 2 1 283.416 0.360 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483319069 895443696 /nfs/dbraw/zinc/44/36/96/895443696.db2.gz HBUYRRCGRCWOSV-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483319069 895443705 /nfs/dbraw/zinc/44/37/05/895443705.db2.gz HBUYRRCGRCWOSV-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483319069 895443720 /nfs/dbraw/zinc/44/37/20/895443720.db2.gz HBUYRRCGRCWOSV-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001483379265 895521646 /nfs/dbraw/zinc/52/16/46/895521646.db2.gz SWJFTAUIYTVRCW-CQSZACIVSA-N 2 1 283.416 0.415 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001483410357 895544976 /nfs/dbraw/zinc/54/49/76/895544976.db2.gz VHVAWTSIEMLTJM-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483410357 895544980 /nfs/dbraw/zinc/54/49/80/895544980.db2.gz VHVAWTSIEMLTJM-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483410357 895544986 /nfs/dbraw/zinc/54/49/86/895544986.db2.gz VHVAWTSIEMLTJM-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001484440720 896412901 /nfs/dbraw/zinc/41/29/01/896412901.db2.gz PNNRQFGJTKARNK-GDBMZVCRSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484440720 896412911 /nfs/dbraw/zinc/41/29/11/896412911.db2.gz PNNRQFGJTKARNK-GDBMZVCRSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001484440720 896412917 /nfs/dbraw/zinc/41/29/17/896412917.db2.gz PNNRQFGJTKARNK-GDBMZVCRSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001484440720 896412926 /nfs/dbraw/zinc/41/29/26/896412926.db2.gz PNNRQFGJTKARNK-GDBMZVCRSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001484551592 896467079 /nfs/dbraw/zinc/46/70/79/896467079.db2.gz MGSMHTQMQQKYAH-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001484551592 896467088 /nfs/dbraw/zinc/46/70/88/896467088.db2.gz MGSMHTQMQQKYAH-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001484856323 896636349 /nfs/dbraw/zinc/63/63/49/896636349.db2.gz OWQJTYBGJWNEQO-MRXNPFEDSA-N 2 1 297.443 0.846 20 30 CCEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484927905 896667915 /nfs/dbraw/zinc/66/79/15/896667915.db2.gz ZBEXARRZVODRGC-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001485002777 896713606 /nfs/dbraw/zinc/71/36/06/896713606.db2.gz XZHLUAQKXBBLEA-ZDUSSCGKSA-N 2 1 253.390 0.834 20 30 CCEDMP C=C(C)C[NH+]1CCC(CO)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001485027746 896722705 /nfs/dbraw/zinc/72/27/05/896722705.db2.gz VYJWFUISRMXZTC-UHFFFAOYSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485464371 897056049 /nfs/dbraw/zinc/05/60/49/897056049.db2.gz VDVKNPGRBTUCNO-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485464371 897056059 /nfs/dbraw/zinc/05/60/59/897056059.db2.gz VDVKNPGRBTUCNO-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001485539257 897108179 /nfs/dbraw/zinc/10/81/79/897108179.db2.gz ISLLYEMQDXVWOT-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001485612913 897148308 /nfs/dbraw/zinc/14/83/08/897148308.db2.gz VVKDSSIPFMTBAV-ZSOGYDGISA-N 2 1 263.385 0.255 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001485623882 897153602 /nfs/dbraw/zinc/15/36/02/897153602.db2.gz OGFOVUMTNFMWLL-QKDCVEJESA-N 2 1 277.412 0.646 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001485623882 897153611 /nfs/dbraw/zinc/15/36/11/897153611.db2.gz OGFOVUMTNFMWLL-QKDCVEJESA-N 2 1 277.412 0.646 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001485623882 897153621 /nfs/dbraw/zinc/15/36/21/897153621.db2.gz OGFOVUMTNFMWLL-QKDCVEJESA-N 2 1 277.412 0.646 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212411816 897902769 /nfs/dbraw/zinc/90/27/69/897902769.db2.gz JZQPWVCLHMGITH-KFWWJZLASA-N 2 1 295.427 0.718 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486053231 898642472 /nfs/dbraw/zinc/64/24/72/898642472.db2.gz WSLJEICXDSTNRU-RYUDHWBXSA-N 2 1 289.807 0.147 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486053231 898642474 /nfs/dbraw/zinc/64/24/74/898642474.db2.gz WSLJEICXDSTNRU-RYUDHWBXSA-N 2 1 289.807 0.147 20 30 CCEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001486336307 898797743 /nfs/dbraw/zinc/79/77/43/898797743.db2.gz HWIJMLOUDXGERQ-LSDHHAIUSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001486336307 898797756 /nfs/dbraw/zinc/79/77/56/898797756.db2.gz HWIJMLOUDXGERQ-LSDHHAIUSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001486336307 898797767 /nfs/dbraw/zinc/79/77/67/898797767.db2.gz HWIJMLOUDXGERQ-LSDHHAIUSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001486336304 898797975 /nfs/dbraw/zinc/79/79/75/898797975.db2.gz HWIJMLOUDXGERQ-CABCVRRESA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001486336304 898797991 /nfs/dbraw/zinc/79/79/91/898797991.db2.gz HWIJMLOUDXGERQ-CABCVRRESA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001486336304 898798003 /nfs/dbraw/zinc/79/80/03/898798003.db2.gz HWIJMLOUDXGERQ-CABCVRRESA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001327063133 914349333 /nfs/dbraw/zinc/34/93/33/914349333.db2.gz GZNXVIFTXXWUOS-ZDUSSCGKSA-N 2 1 278.356 0.195 20 30 CCEDMP C=C(C)C[NH+]1CCN(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001490509186 900658389 /nfs/dbraw/zinc/65/83/89/900658389.db2.gz FSSKAERFLWAXHA-UHFFFAOYSA-N 2 1 296.459 0.638 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064165 903831585 /nfs/dbraw/zinc/83/15/85/903831585.db2.gz JIUOSLONNZWFGR-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001280847714 903884331 /nfs/dbraw/zinc/88/43/31/903884331.db2.gz AGULVKGSNKNFDM-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001280847714 903884345 /nfs/dbraw/zinc/88/43/45/903884345.db2.gz AGULVKGSNKNFDM-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001280847714 903884357 /nfs/dbraw/zinc/88/43/57/903884357.db2.gz AGULVKGSNKNFDM-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001281703683 904332718 /nfs/dbraw/zinc/33/27/18/904332718.db2.gz SFXMYMOMXVQWDH-STQMWFEESA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001281703683 904332733 /nfs/dbraw/zinc/33/27/33/904332733.db2.gz SFXMYMOMXVQWDH-STQMWFEESA-N 2 1 269.389 0.378 20 30 CCEDMP C#CC[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001282057442 904400044 /nfs/dbraw/zinc/40/00/44/904400044.db2.gz LRJAPKBTESJMGD-IYXRBSQSSA-N 2 1 263.385 0.446 20 30 CCEDMP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001282498560 904496613 /nfs/dbraw/zinc/49/66/13/904496613.db2.gz YTMNQIARBDLHDM-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001282498560 904496616 /nfs/dbraw/zinc/49/66/16/904496616.db2.gz YTMNQIARBDLHDM-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001282498560 904496620 /nfs/dbraw/zinc/49/66/20/904496620.db2.gz YTMNQIARBDLHDM-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001282498560 904496624 /nfs/dbraw/zinc/49/66/24/904496624.db2.gz YTMNQIARBDLHDM-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001283388363 904834336 /nfs/dbraw/zinc/83/43/36/904834336.db2.gz NTUSVBJDJHIHDU-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283388363 904834350 /nfs/dbraw/zinc/83/43/50/904834350.db2.gz NTUSVBJDJHIHDU-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001283388363 904834365 /nfs/dbraw/zinc/83/43/65/904834365.db2.gz NTUSVBJDJHIHDU-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001283632018 904939839 /nfs/dbraw/zinc/93/98/39/904939839.db2.gz NAEBIHBMKUSIRR-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001284819149 905441793 /nfs/dbraw/zinc/44/17/93/905441793.db2.gz ZZHNPURCWQQQEF-HSBZDZAISA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH2+][C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001491578760 907415650 /nfs/dbraw/zinc/41/56/50/907415650.db2.gz HCEJJDVFWJOJSD-GFCCVEGCSA-N 2 1 290.367 0.612 20 30 CCEDMP C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001491602276 907438219 /nfs/dbraw/zinc/43/82/19/907438219.db2.gz OJUFOISNZCJHPT-KGLIPLIRSA-N 2 1 265.401 0.977 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317344153 908165611 /nfs/dbraw/zinc/16/56/11/908165611.db2.gz QAUHXGLPNRNNQX-KBPBESRZSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[N@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001316845894 908206455 /nfs/dbraw/zinc/20/64/55/908206455.db2.gz VQRZNZDHIYESDJ-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP COCC#CC[N@H+](C)CCCNC(=O)Cn1c[nH+]cc1C ZINC001316838089 908796605 /nfs/dbraw/zinc/79/66/05/908796605.db2.gz OHFRXQKVTUXYEL-UHFFFAOYSA-N 2 1 292.383 0.279 20 30 CCEDMP COCC#CC[N@@H+](C)CCCNC(=O)Cn1c[nH+]cc1C ZINC001316838089 908796617 /nfs/dbraw/zinc/79/66/17/908796617.db2.gz OHFRXQKVTUXYEL-UHFFFAOYSA-N 2 1 292.383 0.279 20 30 CCEDMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316865548 908806366 /nfs/dbraw/zinc/80/63/66/908806366.db2.gz LZTDFPKKEOCFMW-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001316865548 908806380 /nfs/dbraw/zinc/80/63/80/908806380.db2.gz LZTDFPKKEOCFMW-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001316865548 908806393 /nfs/dbraw/zinc/80/63/93/908806393.db2.gz LZTDFPKKEOCFMW-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC#C)C1CC1 ZINC001317014130 908919978 /nfs/dbraw/zinc/91/99/78/908919978.db2.gz BFFHVQFZFHUWRY-HOTGVXAUSA-N 2 1 287.407 0.592 20 30 CCEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC#C)C1CC1 ZINC001317014130 908919990 /nfs/dbraw/zinc/91/99/90/908919990.db2.gz BFFHVQFZFHUWRY-HOTGVXAUSA-N 2 1 287.407 0.592 20 30 CCEDMP C#CCC[N@@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317491323 909259961 /nfs/dbraw/zinc/25/99/61/909259961.db2.gz UUQVQDAVNQGVCW-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317491323 909259971 /nfs/dbraw/zinc/25/99/71/909259971.db2.gz UUQVQDAVNQGVCW-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317491323 909259985 /nfs/dbraw/zinc/25/99/85/909259985.db2.gz UUQVQDAVNQGVCW-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001318299668 909692835 /nfs/dbraw/zinc/69/28/35/909692835.db2.gz KABJLUBVSZPQAW-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001318299668 909692843 /nfs/dbraw/zinc/69/28/43/909692843.db2.gz KABJLUBVSZPQAW-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001318299668 909692851 /nfs/dbraw/zinc/69/28/51/909692851.db2.gz KABJLUBVSZPQAW-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCN1CC[C@@H](N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001318482616 909775884 /nfs/dbraw/zinc/77/58/84/909775884.db2.gz KOVJHRGYWZTGDG-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001318482616 909775898 /nfs/dbraw/zinc/77/58/98/909775898.db2.gz KOVJHRGYWZTGDG-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001318482616 909775914 /nfs/dbraw/zinc/77/59/14/909775914.db2.gz KOVJHRGYWZTGDG-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001318482616 909775935 /nfs/dbraw/zinc/77/59/35/909775935.db2.gz KOVJHRGYWZTGDG-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH2+][C@H](CC)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001318542673 909806015 /nfs/dbraw/zinc/80/60/15/909806015.db2.gz SYXXYZRTFMZJPQ-GFCCVEGCSA-N 2 1 292.383 0.858 20 30 CCEDMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001318607931 909836476 /nfs/dbraw/zinc/83/64/76/909836476.db2.gz SMXZPXGUKMJWTP-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001320737718 910831582 /nfs/dbraw/zinc/83/15/82/910831582.db2.gz MMBIEBNWBHNWAW-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=C)Cl ZINC001321543726 911362788 /nfs/dbraw/zinc/36/27/88/911362788.db2.gz YQKGOIOYUCGJHE-OLZOCXBDSA-N 2 1 283.803 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=C)Cl ZINC001321543726 911362808 /nfs/dbraw/zinc/36/28/08/911362808.db2.gz YQKGOIOYUCGJHE-OLZOCXBDSA-N 2 1 283.803 0.931 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322238412 911720210 /nfs/dbraw/zinc/72/02/10/911720210.db2.gz UORQGVTYJDPMLO-GFCCVEGCSA-N 2 1 253.390 0.951 20 30 CCEDMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001329357699 915836848 /nfs/dbraw/zinc/83/68/48/915836848.db2.gz ABBRYNOQCYCJTQ-CYBMUJFWSA-N 2 1 265.401 0.646 20 30 CCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001330087175 916405843 /nfs/dbraw/zinc/40/58/43/916405843.db2.gz YDJZYLZUUJOLNM-CQSZACIVSA-N 2 1 295.427 0.413 20 30 CCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001330087175 916405859 /nfs/dbraw/zinc/40/58/59/916405859.db2.gz YDJZYLZUUJOLNM-CQSZACIVSA-N 2 1 295.427 0.413 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332607944 918307548 /nfs/dbraw/zinc/30/75/48/918307548.db2.gz VJTAQDSIORYVCE-AWEZNQCLSA-N 2 1 294.399 0.567 20 30 CCEDMP C=CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001332621692 918319452 /nfs/dbraw/zinc/31/94/52/918319452.db2.gz VLIUBIPWHQBTFP-LSDHHAIUSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001332621692 918319472 /nfs/dbraw/zinc/31/94/72/918319472.db2.gz VLIUBIPWHQBTFP-LSDHHAIUSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001332621692 918319489 /nfs/dbraw/zinc/31/94/89/918319489.db2.gz VLIUBIPWHQBTFP-LSDHHAIUSA-N 2 1 297.443 0.798 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001492973574 920027170 /nfs/dbraw/zinc/02/71/70/920027170.db2.gz GQYYPZPHKPXLMS-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001492973574 920027183 /nfs/dbraw/zinc/02/71/83/920027183.db2.gz GQYYPZPHKPXLMS-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001492973574 920027201 /nfs/dbraw/zinc/02/72/01/920027201.db2.gz GQYYPZPHKPXLMS-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC[NH2+]1 ZINC001344877149 923717618 /nfs/dbraw/zinc/71/76/18/923717618.db2.gz OGZAUYLNHBUURY-YRGRVCCFSA-N 2 1 251.374 0.894 20 30 CCEDMP C=CC[C@@]1(C(=O)Nc2cc3n(n2)CC[NH2+]C3)CCC[NH2+]1 ZINC001345444138 923890108 /nfs/dbraw/zinc/89/01/08/923890108.db2.gz NUFUVPGVPKMLFM-AWEZNQCLSA-N 2 1 275.356 0.623 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@H]1C[NH2+]C ZINC001353406459 925823662 /nfs/dbraw/zinc/82/36/62/925823662.db2.gz ODSNUTZOBFBVTR-AWEZNQCLSA-N 2 1 280.416 0.725 20 30 CCEDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000602875766 362856206 /nfs/dbraw/zinc/85/62/06/362856206.db2.gz ADYDITNWXFOYNY-HIFRSBDPSA-N 2 1 283.416 0.676 20 30 CCEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000602875766 362856212 /nfs/dbraw/zinc/85/62/12/362856212.db2.gz ADYDITNWXFOYNY-HIFRSBDPSA-N 2 1 283.416 0.676 20 30 CCEDMP C=CCCOCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000305435149 649851206 /nfs/dbraw/zinc/85/12/06/649851206.db2.gz HRECKCBQNABUMQ-ZDUSSCGKSA-N 2 1 268.405 0.968 20 30 CCEDMP N#Cc1ccc(N2CC[C@H]([NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)C2=O)cc1 ZINC000609144226 363474141 /nfs/dbraw/zinc/47/41/41/363474141.db2.gz CGMUEDCJYBIZOF-FMKPAKJESA-N 2 1 296.374 0.815 20 30 CCEDMP CC[C@@H](C#N)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597941853 361286647 /nfs/dbraw/zinc/28/66/47/361286647.db2.gz DYIZNDCTYHDADY-STQMWFEESA-N 2 1 268.405 0.924 20 30 CCEDMP CC[C@@H](C#N)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597941853 361286650 /nfs/dbraw/zinc/28/66/50/361286650.db2.gz DYIZNDCTYHDADY-STQMWFEESA-N 2 1 268.405 0.924 20 30 CCEDMP Cc1c[nH+]cn1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000599165122 361595263 /nfs/dbraw/zinc/59/52/63/361595263.db2.gz LRAZBHXXVAPNNG-UHFFFAOYSA-N 2 1 277.372 0.886 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)CC1(C)COC1)CC1(C)COC1 ZINC000625790654 368332363 /nfs/dbraw/zinc/33/23/63/368332363.db2.gz GXQUZAALPHXEBV-UHFFFAOYSA-N 2 1 280.412 0.926 20 30 CCEDMP C=CC[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000629549298 369700585 /nfs/dbraw/zinc/70/05/85/369700585.db2.gz JUSPBQZGHVHOAK-CYBMUJFWSA-N 2 1 251.374 0.706 20 30 CCEDMP C(#CC[N@H+]1C[C@@H]2COC[C@@H]2C1)C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779486 372233678 /nfs/dbraw/zinc/23/36/78/372233678.db2.gz RXWMULMJEJGLSL-GEEKYZPCSA-N 2 1 276.380 0.146 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636741283 373735796 /nfs/dbraw/zinc/73/57/96/373735796.db2.gz UNPWJVMJRZWHQC-CQSZACIVSA-N 2 1 296.415 0.003 20 30 CCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805919 377478452 /nfs/dbraw/zinc/47/84/52/377478452.db2.gz OTWLBNWHJGANQC-NEPJUHHUSA-N 2 1 251.374 0.902 20 30 CCEDMP CC#CCN(C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339752569 389138325 /nfs/dbraw/zinc/13/83/25/389138325.db2.gz LFDLWXICAQWBMN-HNNXBMFYSA-N 2 1 295.427 0.415 20 30 CCEDMP CC#CCN(C)CC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000339752569 389138328 /nfs/dbraw/zinc/13/83/28/389138328.db2.gz LFDLWXICAQWBMN-HNNXBMFYSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000360333379 389196547 /nfs/dbraw/zinc/19/65/47/389196547.db2.gz IAWFOXBUGFGDCT-GOEBONIOSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247132832 389237231 /nfs/dbraw/zinc/23/72/31/389237231.db2.gz ATPMXQQTVCQZFL-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247132832 389237234 /nfs/dbraw/zinc/23/72/34/389237234.db2.gz ATPMXQQTVCQZFL-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247132832 389237235 /nfs/dbraw/zinc/23/72/35/389237235.db2.gz ATPMXQQTVCQZFL-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247132832 389237238 /nfs/dbraw/zinc/23/72/38/389237238.db2.gz ATPMXQQTVCQZFL-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000158176433 389337132 /nfs/dbraw/zinc/33/71/32/389337132.db2.gz NPLZLKPCLLPHBQ-YIONKMFJSA-N 2 1 290.411 0.572 20 30 CCEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccon1 ZINC000261839767 389277081 /nfs/dbraw/zinc/27/70/81/389277081.db2.gz WKKKCJFSMYIBOC-LLVKDONJSA-N 2 1 265.361 0.634 20 30 CCEDMP CCNC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000264063548 389303850 /nfs/dbraw/zinc/30/38/50/389303850.db2.gz DKLGENKCBNYNEP-UHFFFAOYSA-N 2 1 289.427 0.858 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1cccn1 ZINC000264066201 389304160 /nfs/dbraw/zinc/30/41/60/389304160.db2.gz FELHOUKVDHYKSX-CYBMUJFWSA-N 2 1 278.404 0.662 20 30 CCEDMP C#C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373477995 389485735 /nfs/dbraw/zinc/48/57/35/389485735.db2.gz AYWMPMPGYAWMPO-QWHCGFSZSA-N 2 1 278.400 0.476 20 30 CCEDMP C#C[C@H](C)NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373477995 389485738 /nfs/dbraw/zinc/48/57/38/389485738.db2.gz AYWMPMPGYAWMPO-QWHCGFSZSA-N 2 1 278.400 0.476 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000420295300 389979674 /nfs/dbraw/zinc/97/96/74/389979674.db2.gz VFGCUPKBAVXIAT-AGIUHOORSA-N 2 1 251.374 0.833 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000420295300 389979677 /nfs/dbraw/zinc/97/96/77/389979677.db2.gz VFGCUPKBAVXIAT-AGIUHOORSA-N 2 1 251.374 0.833 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000491631179 390115274 /nfs/dbraw/zinc/11/52/74/390115274.db2.gz RJYNIIMSVNNLGS-UHFFFAOYSA-N 2 1 294.443 0.133 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000491804744 390116960 /nfs/dbraw/zinc/11/69/60/390116960.db2.gz MJAIWIYFUIMLCF-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000491804744 390116961 /nfs/dbraw/zinc/11/69/61/390116961.db2.gz MJAIWIYFUIMLCF-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000491804744 390116962 /nfs/dbraw/zinc/11/69/62/390116962.db2.gz MJAIWIYFUIMLCF-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)C1 ZINC000328994218 581113889 /nfs/dbraw/zinc/11/38/89/581113889.db2.gz DYLAVADDDCMYCZ-AVGNSLFASA-N 2 1 285.388 0.383 20 30 CCEDMP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H](OC)C[NH+]2C)C1 ZINC000328994218 581113884 /nfs/dbraw/zinc/11/38/84/581113884.db2.gz DYLAVADDDCMYCZ-AVGNSLFASA-N 2 1 285.388 0.383 20 30 CCEDMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H](OC)C[NH+]2C)C1 ZINC000328994218 581113886 /nfs/dbraw/zinc/11/38/86/581113886.db2.gz DYLAVADDDCMYCZ-AVGNSLFASA-N 2 1 285.388 0.383 20 30 CCEDMP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)C1 ZINC000328994218 581113887 /nfs/dbraw/zinc/11/38/87/581113887.db2.gz DYLAVADDDCMYCZ-AVGNSLFASA-N 2 1 285.388 0.383 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000490821013 261215409 /nfs/dbraw/zinc/21/54/09/261215409.db2.gz QDZLUVVKAGOHMA-CZUORRHYSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC(C)(C)CC[NH3+] ZINC000491679936 261788718 /nfs/dbraw/zinc/78/87/18/261788718.db2.gz GWRRTJKQNWBFAA-UHFFFAOYSA-N 2 1 254.378 0.368 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cn[nH]c1 ZINC000290755457 263118495 /nfs/dbraw/zinc/11/84/95/263118495.db2.gz YTLJOUDUUUPNFT-GFCCVEGCSA-N 2 1 264.377 0.341 20 30 CCEDMP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CC[C@@H](N2CC=CC2)C1 ZINC000131877566 264384492 /nfs/dbraw/zinc/38/44/92/264384492.db2.gz OVXBLBNNKDYTOL-CQSZACIVSA-N 2 1 293.459 0.896 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442791738 328547788 /nfs/dbraw/zinc/54/77/88/328547788.db2.gz MGKGDJQJDJCHEN-OLZOCXBDSA-N 2 1 264.373 0.432 20 30 CCEDMP C[C@@H](CCC#N)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000565043791 327411210 /nfs/dbraw/zinc/41/12/10/327411210.db2.gz IKYGKSOCSQKEJA-AWEZNQCLSA-N 2 1 281.400 0.838 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000377302695 329010510 /nfs/dbraw/zinc/01/05/10/329010510.db2.gz CSFZUEBEBGDSQL-GASCZTMLSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CCCNC(=[NH+]CC)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261620291 329976086 /nfs/dbraw/zinc/97/60/86/329976086.db2.gz BGYFKAINMHYOBM-HNNXBMFYSA-N 2 1 292.427 0.629 20 30 CCEDMP [NH2+]=C(NC[C@@H]1CCCO1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262420160 330009240 /nfs/dbraw/zinc/00/92/40/330009240.db2.gz FGBGPNSYLJJYPK-MNOVXSKESA-N 2 1 263.345 0.281 20 30 CCEDMP C[C@H]1CN(C(=[NH2+])NC[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC000262439323 330013168 /nfs/dbraw/zinc/01/31/68/330013168.db2.gz HGQBRBPFOHQYOP-AAEUAGOBSA-N 2 1 286.445 0.459 20 30 CCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])NCCc1cccs1 ZINC000262547895 330020929 /nfs/dbraw/zinc/02/09/29/330020929.db2.gz WIJFAOJQKRTLKU-GFCCVEGCSA-N 2 1 295.456 0.441 20 30 CCEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)N1CCC1 ZINC000263099958 330043514 /nfs/dbraw/zinc/04/35/14/330043514.db2.gz JVKRGDRBFFDUND-HNNXBMFYSA-N 2 1 288.395 0.774 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000424134815 330268014 /nfs/dbraw/zinc/26/80/14/330268014.db2.gz NXNUKAYJURQVDT-RWMBFGLXSA-N 2 1 264.373 0.751 20 30 CCEDMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424137633 330275071 /nfs/dbraw/zinc/27/50/71/330275071.db2.gz SJAQXXKXJSKYNP-STQMWFEESA-N 2 1 266.389 0.808 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424146911 330293935 /nfs/dbraw/zinc/29/39/35/330293935.db2.gz QKEHJCIXNPBPAE-STQMWFEESA-N 2 1 266.389 0.950 20 30 CCEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+](C)C1CC1 ZINC000424160825 330306342 /nfs/dbraw/zinc/30/63/42/330306342.db2.gz VBLDVEZUAHKOIZ-JQWIXIFHSA-N 2 1 252.362 0.606 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424290450 330334607 /nfs/dbraw/zinc/33/46/07/330334607.db2.gz MOUIBEVKTGSBSL-GFCCVEGCSA-N 2 1 251.374 0.753 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000491203848 332165751 /nfs/dbraw/zinc/16/57/51/332165751.db2.gz ZVINUPWNEYEIRQ-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000491203848 332165752 /nfs/dbraw/zinc/16/57/52/332165752.db2.gz ZVINUPWNEYEIRQ-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000491203848 332165754 /nfs/dbraw/zinc/16/57/54/332165754.db2.gz ZVINUPWNEYEIRQ-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+](CC)C1CC1 ZINC000491326098 332190053 /nfs/dbraw/zinc/19/00/53/332190053.db2.gz JWLVLXAYMFSXPS-UHFFFAOYSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+](CC)C1CC1 ZINC000491326098 332190054 /nfs/dbraw/zinc/19/00/54/332190054.db2.gz JWLVLXAYMFSXPS-UHFFFAOYSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+](CC)C1CC1 ZINC000491326098 332190056 /nfs/dbraw/zinc/19/00/56/332190056.db2.gz JWLVLXAYMFSXPS-UHFFFAOYSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH2+]CC ZINC000491653009 332265685 /nfs/dbraw/zinc/26/56/85/332265685.db2.gz BYVJIAROFUHKFE-UHFFFAOYSA-N 2 1 254.378 0.240 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000491659815 332270246 /nfs/dbraw/zinc/27/02/46/332270246.db2.gz IVLIBTMVXWVXRX-CQSZACIVSA-N 2 1 280.416 0.773 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000491698176 332293252 /nfs/dbraw/zinc/29/32/52/332293252.db2.gz LVRRYAUWIDCZDQ-KBPBESRZSA-N 2 1 278.400 0.192 20 30 CCEDMP C#C[C@@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)C(C)(C)C ZINC000491716092 332305989 /nfs/dbraw/zinc/30/59/89/332305989.db2.gz RMTJMLZFXRBBGH-CYBMUJFWSA-N 2 1 280.416 0.871 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000491717198 332306718 /nfs/dbraw/zinc/30/67/18/332306718.db2.gz VRCBMORCXRIADR-UONOGXRCSA-N 2 1 280.416 0.710 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000491751127 332327392 /nfs/dbraw/zinc/32/73/92/332327392.db2.gz UBNISKULZXEHKX-GOOCMWNKSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000491751127 332327393 /nfs/dbraw/zinc/32/73/93/332327393.db2.gz UBNISKULZXEHKX-GOOCMWNKSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000491751127 332327394 /nfs/dbraw/zinc/32/73/94/332327394.db2.gz UBNISKULZXEHKX-GOOCMWNKSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+](C)[C@H]1CCSC1 ZINC000491816223 332367122 /nfs/dbraw/zinc/36/71/22/332367122.db2.gz MUPDQXRYZPDSOQ-ZDUSSCGKSA-N 2 1 283.441 0.495 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000491816223 332367123 /nfs/dbraw/zinc/36/71/23/332367123.db2.gz MUPDQXRYZPDSOQ-ZDUSSCGKSA-N 2 1 283.441 0.495 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000491816223 332367124 /nfs/dbraw/zinc/36/71/24/332367124.db2.gz MUPDQXRYZPDSOQ-ZDUSSCGKSA-N 2 1 283.441 0.495 20 30 CCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000329230303 534076153 /nfs/dbraw/zinc/07/61/53/534076153.db2.gz DJHCWCLMOPRWPV-RDBSUJKOSA-N 2 1 298.431 0.382 20 30 CCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000329230303 534076159 /nfs/dbraw/zinc/07/61/59/534076159.db2.gz DJHCWCLMOPRWPV-RDBSUJKOSA-N 2 1 298.431 0.382 20 30 CCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000329230303 534076164 /nfs/dbraw/zinc/07/61/64/534076164.db2.gz DJHCWCLMOPRWPV-RDBSUJKOSA-N 2 1 298.431 0.382 20 30 CCEDMP C=C[C@H](CO)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665764979 545107529 /nfs/dbraw/zinc/10/75/29/545107529.db2.gz WOIDZCFUHDEPPE-QWHCGFSZSA-N 2 1 286.420 0.105 20 30 CCEDMP C=C[C@H](CO)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665764979 545107530 /nfs/dbraw/zinc/10/75/30/545107530.db2.gz WOIDZCFUHDEPPE-QWHCGFSZSA-N 2 1 286.420 0.105 20 30 CCEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])N(C)C2CC2)CC1 ZINC000305800165 649879572 /nfs/dbraw/zinc/87/95/72/649879572.db2.gz CVGOIBDLDDYCIU-UHFFFAOYSA-N 2 1 281.448 0.813 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](CC)CC ZINC000730281490 581690900 /nfs/dbraw/zinc/69/09/00/581690900.db2.gz YHINGWIMYSICHL-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](CC)CC ZINC000730281490 581690902 /nfs/dbraw/zinc/69/09/02/581690902.db2.gz YHINGWIMYSICHL-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000764509836 582054454 /nfs/dbraw/zinc/05/44/54/582054454.db2.gz WCGCXTMYARRDIO-CQSZACIVSA-N 2 1 296.459 0.494 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000876858655 613387710 /nfs/dbraw/zinc/38/77/10/613387710.db2.gz VSLBQZUILMIEPC-KOLCDFICSA-N 2 1 263.744 0.616 20 30 CCEDMP CC(C)C[N@H+](CC(=O)NCC#N)CC1CC[NH+](C)CC1 ZINC000879702300 614076157 /nfs/dbraw/zinc/07/61/57/614076157.db2.gz JGHOFUDELHTVHP-UHFFFAOYSA-N 2 1 280.416 0.926 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000825549560 613009799 /nfs/dbraw/zinc/00/97/99/613009799.db2.gz QMQJSJYEXOGMIC-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000825549560 613009800 /nfs/dbraw/zinc/00/98/00/613009800.db2.gz QMQJSJYEXOGMIC-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000841910454 613074493 /nfs/dbraw/zinc/07/44/93/613074493.db2.gz RFUWFVPUYXNONW-KBPBESRZSA-N 2 1 280.416 0.710 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891921054 613074698 /nfs/dbraw/zinc/07/46/98/613074698.db2.gz IRDWJTQRXZTJPG-NEPJUHHUSA-N 2 1 252.362 0.073 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971687926 613090117 /nfs/dbraw/zinc/09/01/17/613090117.db2.gz QCPGIFIQBVBTJV-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971687926 613090119 /nfs/dbraw/zinc/09/01/19/613090119.db2.gz QCPGIFIQBVBTJV-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971687926 613090121 /nfs/dbraw/zinc/09/01/21/613090121.db2.gz QCPGIFIQBVBTJV-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000981385725 613155376 /nfs/dbraw/zinc/15/53/76/613155376.db2.gz ZCKRUBVMCQEDMB-AWEZNQCLSA-N 2 1 265.401 0.740 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000981385725 613155377 /nfs/dbraw/zinc/15/53/77/613155377.db2.gz ZCKRUBVMCQEDMB-AWEZNQCLSA-N 2 1 265.401 0.740 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)C1 ZINC000896490394 613182918 /nfs/dbraw/zinc/18/29/18/613182918.db2.gz SIIJBXBZLOFUEF-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000896490394 613182919 /nfs/dbraw/zinc/18/29/19/613182919.db2.gz SIIJBXBZLOFUEF-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CCC[NH+](C)C2)C1 ZINC000896490394 613182920 /nfs/dbraw/zinc/18/29/20/613182920.db2.gz SIIJBXBZLOFUEF-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CCC[NH+](C)C2)C1 ZINC000896490394 613182921 /nfs/dbraw/zinc/18/29/21/613182921.db2.gz SIIJBXBZLOFUEF-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+](CC)CC)C1 ZINC000887577979 613185008 /nfs/dbraw/zinc/18/50/08/613185008.db2.gz CNFYQQXJAYQEFS-AWEZNQCLSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](CC)CC)C1 ZINC000887577979 613185009 /nfs/dbraw/zinc/18/50/09/613185009.db2.gz CNFYQQXJAYQEFS-AWEZNQCLSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCCCC2)C1 ZINC000887340508 613185053 /nfs/dbraw/zinc/18/50/53/613185053.db2.gz BUGYRBJQJPBMOA-HNNXBMFYSA-N 2 1 292.427 0.869 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCCCC2)C1 ZINC000887340508 613185054 /nfs/dbraw/zinc/18/50/54/613185054.db2.gz BUGYRBJQJPBMOA-HNNXBMFYSA-N 2 1 292.427 0.869 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000884396309 613185817 /nfs/dbraw/zinc/18/58/17/613185817.db2.gz ZNRGDMGHRCLZDB-STQMWFEESA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000884396309 613185819 /nfs/dbraw/zinc/18/58/19/613185819.db2.gz ZNRGDMGHRCLZDB-STQMWFEESA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000884200687 613187131 /nfs/dbraw/zinc/18/71/31/613187131.db2.gz ISWYLDZZZBECGD-KGLIPLIRSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000884200687 613187132 /nfs/dbraw/zinc/18/71/32/613187132.db2.gz ISWYLDZZZBECGD-KGLIPLIRSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000884200687 613187134 /nfs/dbraw/zinc/18/71/34/613187134.db2.gz ISWYLDZZZBECGD-KGLIPLIRSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000884200687 613187135 /nfs/dbraw/zinc/18/71/35/613187135.db2.gz ISWYLDZZZBECGD-KGLIPLIRSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH+](C)C ZINC000814138551 613199114 /nfs/dbraw/zinc/19/91/14/613199114.db2.gz WRERKSLVLFRRNY-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH+](C)C ZINC000814138551 613199115 /nfs/dbraw/zinc/19/91/15/613199115.db2.gz WRERKSLVLFRRNY-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC)C1 ZINC000983900029 613201207 /nfs/dbraw/zinc/20/12/07/613201207.db2.gz BMPZZSZEJJXCKA-IHRRRGAJSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC)C1 ZINC000983900029 613201209 /nfs/dbraw/zinc/20/12/09/613201209.db2.gz BMPZZSZEJJXCKA-IHRRRGAJSA-N 2 1 263.385 0.588 20 30 CCEDMP C[NH+]=C(NCc1ccco1)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000849008115 613220472 /nfs/dbraw/zinc/22/04/72/613220472.db2.gz REXLJLVAJMBXLB-GFCCVEGCSA-N 2 1 279.388 0.190 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947933803 613223658 /nfs/dbraw/zinc/22/36/58/613223658.db2.gz GWVUINARAOFPFY-ZIAGYGMSSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218441 613263307 /nfs/dbraw/zinc/26/33/07/613263307.db2.gz XRPGDJWSWVEUHO-KBPBESRZSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980244719 613291840 /nfs/dbraw/zinc/29/18/40/613291840.db2.gz YNVADYXVBOXRDY-JYJNAYRXSA-N 2 1 289.423 0.932 20 30 CCEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969943258 613299363 /nfs/dbraw/zinc/29/93/63/613299363.db2.gz CYLGISOAEOTUDC-UMVBOHGHSA-N 2 1 295.427 0.718 20 30 CCEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969943258 613299364 /nfs/dbraw/zinc/29/93/64/613299364.db2.gz CYLGISOAEOTUDC-UMVBOHGHSA-N 2 1 295.427 0.718 20 30 CCEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970869363 613299684 /nfs/dbraw/zinc/29/96/84/613299684.db2.gz PLGZUEYFYUUFPQ-OLZOCXBDSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946890256 613305375 /nfs/dbraw/zinc/30/53/75/613305375.db2.gz LTNFHKAYFOFPGM-OWCLPIDISA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946890256 613305377 /nfs/dbraw/zinc/30/53/77/613305377.db2.gz LTNFHKAYFOFPGM-OWCLPIDISA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946890256 613305379 /nfs/dbraw/zinc/30/53/79/613305379.db2.gz LTNFHKAYFOFPGM-OWCLPIDISA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978161252 613308781 /nfs/dbraw/zinc/30/87/81/613308781.db2.gz SZYDMMCYPKHDCQ-LVQVYYBASA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978161252 613308783 /nfs/dbraw/zinc/30/87/83/613308783.db2.gz SZYDMMCYPKHDCQ-LVQVYYBASA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978161252 613308784 /nfs/dbraw/zinc/30/87/84/613308784.db2.gz SZYDMMCYPKHDCQ-LVQVYYBASA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC000960521337 613313247 /nfs/dbraw/zinc/31/32/47/613313247.db2.gz RYMKYXZPHQVPKF-FICVDOATSA-N 2 1 287.407 0.542 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961657150 613313526 /nfs/dbraw/zinc/31/35/26/613313526.db2.gz PZSPTAFNGSZVQU-WDNDVIMCSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878748204 613324542 /nfs/dbraw/zinc/32/45/42/613324542.db2.gz SZHOGDURAYURQY-UHFFFAOYSA-N 2 1 286.379 0.733 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000977902522 613343732 /nfs/dbraw/zinc/34/37/32/613343732.db2.gz BKTYGJLFPRGKEM-APIJFGDWSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977902522 613343733 /nfs/dbraw/zinc/34/37/33/613343733.db2.gz BKTYGJLFPRGKEM-APIJFGDWSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977902522 613343734 /nfs/dbraw/zinc/34/37/34/613343734.db2.gz BKTYGJLFPRGKEM-APIJFGDWSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000961767810 613344653 /nfs/dbraw/zinc/34/46/53/613344653.db2.gz ZTDXHPROUJDECC-TTZDDIAXSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000961767810 613344654 /nfs/dbraw/zinc/34/46/54/613344654.db2.gz ZTDXHPROUJDECC-TTZDDIAXSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000961767810 613344655 /nfs/dbraw/zinc/34/46/55/613344655.db2.gz ZTDXHPROUJDECC-TTZDDIAXSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834595396 613366170 /nfs/dbraw/zinc/36/61/70/613366170.db2.gz XLVQSWACLGRMOC-QWHCGFSZSA-N 2 1 269.364 0.749 20 30 CCEDMP C=CCC[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982215139 613492413 /nfs/dbraw/zinc/49/24/13/613492413.db2.gz PBDZKQHJXGVHEO-UHFFFAOYSA-N 2 1 295.427 0.819 20 30 CCEDMP C=CCC[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982215139 613492415 /nfs/dbraw/zinc/49/24/15/613492415.db2.gz PBDZKQHJXGVHEO-UHFFFAOYSA-N 2 1 295.427 0.819 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000981957906 613548315 /nfs/dbraw/zinc/54/83/15/613548315.db2.gz ZPNSDCWEXSFDFD-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000981957906 613548316 /nfs/dbraw/zinc/54/83/16/613548316.db2.gz ZPNSDCWEXSFDFD-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000981957906 613548319 /nfs/dbraw/zinc/54/83/19/613548319.db2.gz ZPNSDCWEXSFDFD-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000981957906 613548321 /nfs/dbraw/zinc/54/83/21/613548321.db2.gz ZPNSDCWEXSFDFD-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905095675 613675930 /nfs/dbraw/zinc/67/59/30/613675930.db2.gz JYHHRJSFXWOYGC-GJZGRUSLSA-N 2 1 284.400 0.129 20 30 CCEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000857235513 614288476 /nfs/dbraw/zinc/28/84/76/614288476.db2.gz UGLVOQVXVIIBLL-HZSPNIEDSA-N 2 1 281.400 0.740 20 30 CCEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000857235513 614288478 /nfs/dbraw/zinc/28/84/78/614288478.db2.gz UGLVOQVXVIIBLL-HZSPNIEDSA-N 2 1 281.400 0.740 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000104172521 615131357 /nfs/dbraw/zinc/13/13/57/615131357.db2.gz CAQMJZTXVLOYBU-DZGCQCFKSA-N 3 1 293.459 0.859 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000104172521 615131359 /nfs/dbraw/zinc/13/13/59/615131359.db2.gz CAQMJZTXVLOYBU-DZGCQCFKSA-N 3 1 293.459 0.859 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000104172521 615131361 /nfs/dbraw/zinc/13/13/61/615131361.db2.gz CAQMJZTXVLOYBU-DZGCQCFKSA-N 3 1 293.459 0.859 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000104155048 615144298 /nfs/dbraw/zinc/14/42/98/615144298.db2.gz KDSYUNUDXYPHCU-LBPRGKRZSA-N 3 1 269.437 0.715 20 30 CCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)N(C)C ZINC000104155048 615144300 /nfs/dbraw/zinc/14/43/00/615144300.db2.gz KDSYUNUDXYPHCU-LBPRGKRZSA-N 2 1 269.437 0.715 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)N(C)C ZINC000104155048 615144301 /nfs/dbraw/zinc/14/43/01/615144301.db2.gz KDSYUNUDXYPHCU-LBPRGKRZSA-N 2 1 269.437 0.715 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000913524158 615859723 /nfs/dbraw/zinc/85/97/23/615859723.db2.gz BYLKHXNSMFCTDM-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)c1ccccc1 ZINC000834493685 615988648 /nfs/dbraw/zinc/98/86/48/615988648.db2.gz GMOXVYOVCZDHNI-MCIONIFRSA-N 2 1 272.352 0.517 20 30 CCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000181475223 625373960 /nfs/dbraw/zinc/37/39/60/625373960.db2.gz SJWXNGVMFYVQDB-GFCCVEGCSA-N 2 1 254.378 0.506 20 30 CCEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024376038 623301347 /nfs/dbraw/zinc/30/13/47/623301347.db2.gz XWAORQZCXQTGSE-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024376038 623301352 /nfs/dbraw/zinc/30/13/52/623301352.db2.gz XWAORQZCXQTGSE-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024376038 623301355 /nfs/dbraw/zinc/30/13/55/623301355.db2.gz XWAORQZCXQTGSE-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024376038 623301361 /nfs/dbraw/zinc/30/13/61/623301361.db2.gz XWAORQZCXQTGSE-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024630817 623403664 /nfs/dbraw/zinc/40/36/64/623403664.db2.gz XMFGRYBYDFFMLU-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])N(C)C)CC1 ZINC000170906961 623813694 /nfs/dbraw/zinc/81/36/94/623813694.db2.gz PCKJHLVLVOQBRN-GFCCVEGCSA-N 2 1 255.410 0.136 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001022166554 624890168 /nfs/dbraw/zinc/89/01/68/624890168.db2.gz ZCVLVXTYTGBANQ-MJBXVCDLSA-N 2 1 263.385 0.731 20 30 CCEDMP Cc1[nH+]ccn1CCNC(=[NH2+])N1CCSCC1 ZINC000262008693 625013850 /nfs/dbraw/zinc/01/38/50/625013850.db2.gz SILAKWVZMWUOPS-UHFFFAOYSA-N 2 1 253.375 0.555 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414483 625874097 /nfs/dbraw/zinc/87/40/97/625874097.db2.gz QNNBGSIZZIJLCA-CVEARBPZSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414484 625874110 /nfs/dbraw/zinc/87/41/10/625874110.db2.gz QNNBGSIZZIJLCA-HOTGVXAUSA-N 2 1 289.423 0.884 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001007004698 650061923 /nfs/dbraw/zinc/06/19/23/650061923.db2.gz WLASMSDTTHHWBP-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001007004698 650061925 /nfs/dbraw/zinc/06/19/25/650061925.db2.gz WLASMSDTTHHWBP-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007004698 650061927 /nfs/dbraw/zinc/06/19/27/650061927.db2.gz WLASMSDTTHHWBP-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007004698 650061929 /nfs/dbraw/zinc/06/19/29/650061929.db2.gz WLASMSDTTHHWBP-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C[C@@H](C(=O)NCC#CC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000913517915 636834522 /nfs/dbraw/zinc/83/45/22/636834522.db2.gz VFMAAFUECVEBNR-MJBXVCDLSA-N 2 1 265.401 0.929 20 30 CCEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])N(C)C)CC1 ZINC000170906958 637103825 /nfs/dbraw/zinc/10/38/25/637103825.db2.gz PCKJHLVLVOQBRN-LBPRGKRZSA-N 2 1 255.410 0.136 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014468629 650453695 /nfs/dbraw/zinc/45/36/95/650453695.db2.gz QDICQXVUJDWCFV-KGLIPLIRSA-N 2 1 263.385 0.705 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001014501294 650457184 /nfs/dbraw/zinc/45/71/84/650457184.db2.gz IXAIINJIYDNVIB-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001014501294 650457185 /nfs/dbraw/zinc/45/71/85/650457185.db2.gz IXAIINJIYDNVIB-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001014501294 650457187 /nfs/dbraw/zinc/45/71/87/650457187.db2.gz IXAIINJIYDNVIB-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000999863882 639010889 /nfs/dbraw/zinc/01/08/89/639010889.db2.gz VMTPVSZSZMFYMY-YMAMQOFZSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000999863882 639010896 /nfs/dbraw/zinc/01/08/96/639010896.db2.gz VMTPVSZSZMFYMY-YMAMQOFZSA-N 2 1 295.427 0.862 20 30 CCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001001263190 639263404 /nfs/dbraw/zinc/26/34/04/639263404.db2.gz IJCGQVKJIWDOJH-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001001277416 639271189 /nfs/dbraw/zinc/27/11/89/639271189.db2.gz CLSSKXRPABNEOW-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001001277416 639271191 /nfs/dbraw/zinc/27/11/91/639271191.db2.gz CLSSKXRPABNEOW-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001003317939 639527787 /nfs/dbraw/zinc/52/77/87/639527787.db2.gz AQXVBUFFOQMWER-UHFFFAOYSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001005208168 639889365 /nfs/dbraw/zinc/88/93/65/639889365.db2.gz CHRSLRUFTULKIJ-OAHLLOKOSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001005208168 639889368 /nfs/dbraw/zinc/88/93/68/639889368.db2.gz CHRSLRUFTULKIJ-OAHLLOKOSA-N 2 1 293.411 0.263 20 30 CCEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001005210628 639889652 /nfs/dbraw/zinc/88/96/52/639889652.db2.gz WZSPEMNZULSJME-HNNXBMFYSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001005210628 639889655 /nfs/dbraw/zinc/88/96/55/639889655.db2.gz WZSPEMNZULSJME-HNNXBMFYSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649133 650601176 /nfs/dbraw/zinc/60/11/76/650601176.db2.gz PHXMMAMQFCXJBX-CYBMUJFWSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015702069 650611446 /nfs/dbraw/zinc/61/14/46/650611446.db2.gz LLYRSENFZHUQSG-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015702069 650611447 /nfs/dbraw/zinc/61/14/47/650611447.db2.gz LLYRSENFZHUQSG-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015702069 650611448 /nfs/dbraw/zinc/61/14/48/650611448.db2.gz LLYRSENFZHUQSG-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000852866418 644032436 /nfs/dbraw/zinc/03/24/36/644032436.db2.gz WTYIJUCIXNUMFI-OAHLLOKOSA-N 2 1 275.396 0.590 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001019518697 650983105 /nfs/dbraw/zinc/98/31/05/650983105.db2.gz ZVPCVRZFRMJJIF-ZDUSSCGKSA-N 2 1 267.373 0.085 20 30 CCEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001006431935 649377313 /nfs/dbraw/zinc/37/73/13/649377313.db2.gz SIEARQRRQYBXPG-OAHLLOKOSA-N 2 1 295.427 0.816 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[NH+](C)C1 ZINC000303882466 649826130 /nfs/dbraw/zinc/82/61/30/649826130.db2.gz ICEYJYPWSNUWFU-CHWSQXEVSA-N 3 1 267.421 0.327 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000303882466 649826132 /nfs/dbraw/zinc/82/61/32/649826132.db2.gz ICEYJYPWSNUWFU-CHWSQXEVSA-N 2 1 267.421 0.327 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000303882466 649826133 /nfs/dbraw/zinc/82/61/33/649826133.db2.gz ICEYJYPWSNUWFU-CHWSQXEVSA-N 2 1 267.421 0.327 20 30 CCEDMP C=C(C)CNC(=[NH2+])NCCCCN1CC[NH+](CC)CC1 ZINC000303893757 649826694 /nfs/dbraw/zinc/82/66/94/649826694.db2.gz OKZMMRQFDACUBU-UHFFFAOYSA-N 2 1 281.448 0.885 20 30 CCEDMP C[N@@H+](CCNC(=[NH2+])N1CCOCC1)C1CCCC1 ZINC000304757835 649838144 /nfs/dbraw/zinc/83/81/44/649838144.db2.gz PIFSWTPECRHXKS-UHFFFAOYSA-N 2 1 254.378 0.508 20 30 CCEDMP CCc1nncn1CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000304789543 649839585 /nfs/dbraw/zinc/83/95/85/649839585.db2.gz JUZSZDADUFNILV-GFCCVEGCSA-N 2 1 293.419 0.229 20 30 CCEDMP C#CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001266609823 791018950 /nfs/dbraw/zinc/01/89/50/791018950.db2.gz YSVVINKZMDDNKB-UHFFFAOYSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001266729862 791194602 /nfs/dbraw/zinc/19/46/02/791194602.db2.gz GLFXIEJAVZUVNL-OKILXGFUSA-N 2 1 292.383 0.631 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001266817271 791262108 /nfs/dbraw/zinc/26/21/08/791262108.db2.gz PUYAPLIQFSAFON-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098561102 791476453 /nfs/dbraw/zinc/47/64/53/791476453.db2.gz RLHSYOTYBFNAGR-CQSZACIVSA-N 2 1 295.427 0.409 20 30 CCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561102 791476457 /nfs/dbraw/zinc/47/64/57/791476457.db2.gz RLHSYOTYBFNAGR-CQSZACIVSA-N 2 1 295.427 0.409 20 30 CCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561102 791476462 /nfs/dbraw/zinc/47/64/62/791476462.db2.gz RLHSYOTYBFNAGR-CQSZACIVSA-N 2 1 295.427 0.409 20 30 CCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098562164 791503093 /nfs/dbraw/zinc/50/30/93/791503093.db2.gz SPPHKGAPXGHOIB-UHFFFAOYSA-N 2 1 295.427 0.554 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001267200452 791663551 /nfs/dbraw/zinc/66/35/51/791663551.db2.gz LUTPLDLDRUFIBN-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267200452 791663557 /nfs/dbraw/zinc/66/35/57/791663557.db2.gz LUTPLDLDRUFIBN-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001267200452 791663563 /nfs/dbraw/zinc/66/35/63/791663563.db2.gz LUTPLDLDRUFIBN-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038141417 791703151 /nfs/dbraw/zinc/70/31/51/791703151.db2.gz KZNRQNVWLTYIHW-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038141417 791703157 /nfs/dbraw/zinc/70/31/57/791703157.db2.gz KZNRQNVWLTYIHW-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038141417 791703163 /nfs/dbraw/zinc/70/31/63/791703163.db2.gz KZNRQNVWLTYIHW-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038141417 791703172 /nfs/dbraw/zinc/70/31/72/791703172.db2.gz KZNRQNVWLTYIHW-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246027645 807125499 /nfs/dbraw/zinc/12/54/99/807125499.db2.gz ILPZRUJRWBIVKU-ZIAGYGMSSA-N 2 1 254.374 0.768 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246027645 807125503 /nfs/dbraw/zinc/12/55/03/807125503.db2.gz ILPZRUJRWBIVKU-ZIAGYGMSSA-N 2 1 254.374 0.768 20 30 CCEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](CCCC#N)[C@@H]2C1 ZINC001277945198 806422172 /nfs/dbraw/zinc/42/21/72/806422172.db2.gz PWTCNWUJGLBGHB-UONOGXRCSA-N 2 1 250.390 0.858 20 30 CCEDMP C=CCNCC[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236023384 806530350 /nfs/dbraw/zinc/53/03/50/806530350.db2.gz OBNNAEHNFBRXQF-CTASWTNQSA-N 2 1 293.411 0.093 20 30 CCEDMP C=CCNCC[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236023384 806530354 /nfs/dbraw/zinc/53/03/54/806530354.db2.gz OBNNAEHNFBRXQF-CTASWTNQSA-N 2 1 293.411 0.093 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151057031 800392409 /nfs/dbraw/zinc/39/24/09/800392409.db2.gz QDYMMLMYIOWRLP-OLZOCXBDSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900291 801073256 /nfs/dbraw/zinc/07/32/56/801073256.db2.gz KFHLEIAFQWYCPM-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157014336 801288069 /nfs/dbraw/zinc/28/80/69/801288069.db2.gz XVVMQSQYLDYDLU-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157014336 801288073 /nfs/dbraw/zinc/28/80/73/801288073.db2.gz XVVMQSQYLDYDLU-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001157014336 801288079 /nfs/dbraw/zinc/28/80/79/801288079.db2.gz XVVMQSQYLDYDLU-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001157014336 801288083 /nfs/dbraw/zinc/28/80/83/801288083.db2.gz XVVMQSQYLDYDLU-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157887139 801510292 /nfs/dbraw/zinc/51/02/92/801510292.db2.gz RGYBXGUTUWNFFC-AWEZNQCLSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486813 801658409 /nfs/dbraw/zinc/65/84/09/801658409.db2.gz RUYATQJHXURCAF-STQMWFEESA-N 2 1 267.373 0.132 20 30 CCEDMP Cc1ccc(CC#N)c(NCCOCCOCC[NH3+])[nH+]1 ZINC001159447288 801808137 /nfs/dbraw/zinc/80/81/37/801808137.db2.gz LJHYJJRCPMXLDO-UHFFFAOYSA-N 2 1 278.356 0.860 20 30 CCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161856654 802232828 /nfs/dbraw/zinc/23/28/28/802232828.db2.gz CFWMAIJSIKERRW-OAHLLOKOSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161856654 802232835 /nfs/dbraw/zinc/23/28/35/802232835.db2.gz CFWMAIJSIKERRW-OAHLLOKOSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161856654 802232840 /nfs/dbraw/zinc/23/28/40/802232840.db2.gz CFWMAIJSIKERRW-OAHLLOKOSA-N 2 1 275.396 0.710 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001278799424 808267221 /nfs/dbraw/zinc/26/72/21/808267221.db2.gz AVEVCAYFAAMXMF-GOEBONIOSA-N 2 1 295.427 0.600 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001278799424 808267223 /nfs/dbraw/zinc/26/72/23/808267223.db2.gz AVEVCAYFAAMXMF-GOEBONIOSA-N 2 1 295.427 0.600 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001278799424 808267230 /nfs/dbraw/zinc/26/72/30/808267230.db2.gz AVEVCAYFAAMXMF-GOEBONIOSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163940532 802638073 /nfs/dbraw/zinc/63/80/73/802638073.db2.gz NTIFTWXSNXRKFM-CQSZACIVSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940532 802638079 /nfs/dbraw/zinc/63/80/79/802638079.db2.gz NTIFTWXSNXRKFM-CQSZACIVSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001166699034 802941979 /nfs/dbraw/zinc/94/19/79/802941979.db2.gz IBKRCWJLMIGGMO-ZDUSSCGKSA-N 2 1 274.368 0.483 20 30 CCEDMP N#Cc1cccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)n1 ZINC001205242542 803130451 /nfs/dbraw/zinc/13/04/51/803130451.db2.gz YAHZPYQNSVWOGH-AWEZNQCLSA-N 2 1 260.341 0.629 20 30 CCEDMP C=CCn1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205681719 803154725 /nfs/dbraw/zinc/15/47/25/803154725.db2.gz MUUGZEKOYXHZLG-CQSZACIVSA-N 2 1 264.373 0.745 20 30 CCEDMP C=CCn1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205681719 803154729 /nfs/dbraw/zinc/15/47/29/803154729.db2.gz MUUGZEKOYXHZLG-CQSZACIVSA-N 2 1 264.373 0.745 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207263326 803375349 /nfs/dbraw/zinc/37/53/49/803375349.db2.gz QYLZVTULBSJSRG-MGPQQGTHSA-N 2 1 283.391 0.736 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207263326 803375353 /nfs/dbraw/zinc/37/53/53/803375353.db2.gz QYLZVTULBSJSRG-MGPQQGTHSA-N 2 1 283.391 0.736 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207547346 803418114 /nfs/dbraw/zinc/41/81/14/803418114.db2.gz TWSGHIUQTWJROM-BNOWGMLFSA-N 2 1 265.401 0.949 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207683772 803436748 /nfs/dbraw/zinc/43/67/48/803436748.db2.gz HMVNIZFYCYMJDZ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP Cn1ncc(C#N)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210261793 803643993 /nfs/dbraw/zinc/64/39/93/803643993.db2.gz GWHBNDQRYNUMED-UHFFFAOYSA-N 2 1 283.339 0.840 20 30 CCEDMP N#Cc1ccc([C@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000402166560 803814777 /nfs/dbraw/zinc/81/47/77/803814777.db2.gz RVCPUHYUCFVQIB-QLFBSQMISA-N 2 1 257.337 0.743 20 30 CCEDMP N#Cc1ccc([C@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000402166560 803814784 /nfs/dbraw/zinc/81/47/84/803814784.db2.gz RVCPUHYUCFVQIB-QLFBSQMISA-N 2 1 257.337 0.743 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801924 803857419 /nfs/dbraw/zinc/85/74/19/803857419.db2.gz YESOKLHOAAHRBF-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801924 803857427 /nfs/dbraw/zinc/85/74/27/803857427.db2.gz YESOKLHOAAHRBF-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C[N@H+]1[C@@H]2C[C@@H](OC[C@@H]3C[C@H]4CC[NH2+]C[C@@H]4O3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001217879204 803922273 /nfs/dbraw/zinc/92/22/73/803922273.db2.gz OZYRZLOVUHKTDN-FLMVVWBOSA-N 2 1 294.395 0.382 20 30 CCEDMP C[N@@H+]1[C@@H]2C[C@@H](OC[C@@H]3C[C@H]4CC[NH2+]C[C@@H]4O3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001217879204 803922279 /nfs/dbraw/zinc/92/22/79/803922279.db2.gz OZYRZLOVUHKTDN-FLMVVWBOSA-N 2 1 294.395 0.382 20 30 CCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219003197 804181644 /nfs/dbraw/zinc/18/16/44/804181644.db2.gz YPTOYZUMBMRLEX-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219003197 804181646 /nfs/dbraw/zinc/18/16/46/804181646.db2.gz YPTOYZUMBMRLEX-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219003197 804181648 /nfs/dbraw/zinc/18/16/48/804181648.db2.gz YPTOYZUMBMRLEX-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219003197 804181650 /nfs/dbraw/zinc/18/16/50/804181650.db2.gz YPTOYZUMBMRLEX-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083456351 815015310 /nfs/dbraw/zinc/01/53/10/815015310.db2.gz QUDXZENZZFCBMK-RDBSUJKOSA-N 2 1 281.400 0.207 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220377985 804587986 /nfs/dbraw/zinc/58/79/86/804587986.db2.gz WDPGQIKUGAUNEC-RDBSUJKOSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220564613 804623683 /nfs/dbraw/zinc/62/36/83/804623683.db2.gz DWSXPSZVPYAJPW-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220564613 804623687 /nfs/dbraw/zinc/62/36/87/804623687.db2.gz DWSXPSZVPYAJPW-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220564613 804623691 /nfs/dbraw/zinc/62/36/91/804623691.db2.gz DWSXPSZVPYAJPW-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220564613 804623697 /nfs/dbraw/zinc/62/36/97/804623697.db2.gz DWSXPSZVPYAJPW-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC001220868175 804684628 /nfs/dbraw/zinc/68/46/28/804684628.db2.gz DLEZWPXOCIXUET-STQMWFEESA-N 2 1 267.373 0.132 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221068473 804727286 /nfs/dbraw/zinc/72/72/86/804727286.db2.gz QBMCBGDVMLHCCH-KGLIPLIRSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221068473 804727290 /nfs/dbraw/zinc/72/72/90/804727290.db2.gz QBMCBGDVMLHCCH-KGLIPLIRSA-N 2 1 281.400 0.210 20 30 CCEDMP CC(C)C[C@@](C)(C#N)NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001221293040 804769238 /nfs/dbraw/zinc/76/92/38/804769238.db2.gz YKUOZWKSRVNFLV-AWEZNQCLSA-N 2 1 266.389 0.773 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221883583 804852486 /nfs/dbraw/zinc/85/24/86/804852486.db2.gz LSKFFPFBPAJEKJ-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221883583 804852494 /nfs/dbraw/zinc/85/24/94/804852494.db2.gz LSKFFPFBPAJEKJ-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950730 804855002 /nfs/dbraw/zinc/85/50/02/804855002.db2.gz VXBQWNUXYZSWRH-HUUCEWRRSA-N 2 1 295.427 0.673 20 30 CCEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001277020182 805107896 /nfs/dbraw/zinc/10/78/96/805107896.db2.gz MQNXTEFMFUSOPV-LBPRGKRZSA-N 2 1 251.374 0.895 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001277094243 805187657 /nfs/dbraw/zinc/18/76/57/805187657.db2.gz PEDJZOYRMDOPLX-ZIAGYGMSSA-N 2 1 275.396 0.875 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001278427468 807133551 /nfs/dbraw/zinc/13/35/51/807133551.db2.gz UXOXSOLEGOROGD-MRXNPFEDSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN(C)C1 ZINC001246305100 807216023 /nfs/dbraw/zinc/21/60/23/807216023.db2.gz GQKYHFWELADVDF-STQMWFEESA-N 2 1 269.389 0.507 20 30 CCEDMP N#Cc1ccccc1OC1C[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246992233 807449988 /nfs/dbraw/zinc/44/99/88/807449988.db2.gz VEHKMZMGWPSYEH-CQSZACIVSA-N 2 1 298.390 0.715 20 30 CCEDMP C#CCOC[C@H](O)CN1CCC([N@@H+](C)C2CC2)CC1 ZINC001251855043 807722855 /nfs/dbraw/zinc/72/28/55/807722855.db2.gz QZMPGKCELOKNTI-OAHLLOKOSA-N 2 1 266.385 0.556 20 30 CCEDMP C#CCOC[C@@H](O)C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001251881628 807732550 /nfs/dbraw/zinc/73/25/50/807732550.db2.gz YNNCOLTXZIRDBX-XHSDSOJGSA-N 2 1 282.428 0.955 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474932 815143176 /nfs/dbraw/zinc/14/31/76/815143176.db2.gz IDMQATLPSQYXTJ-YJNKXOJESA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474932 815143179 /nfs/dbraw/zinc/14/31/79/815143179.db2.gz IDMQATLPSQYXTJ-YJNKXOJESA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474932 815143183 /nfs/dbraw/zinc/14/31/83/815143183.db2.gz IDMQATLPSQYXTJ-YJNKXOJESA-N 2 1 295.427 0.454 20 30 CCEDMP C=C[C@@](C)(O)C[N@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001252549620 807906651 /nfs/dbraw/zinc/90/66/51/807906651.db2.gz GLACVFCGIXWMSY-BFHYXJOUSA-N 2 1 254.374 0.576 20 30 CCEDMP C=C[C@@](C)(O)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001252549620 807906669 /nfs/dbraw/zinc/90/66/69/807906669.db2.gz GLACVFCGIXWMSY-BFHYXJOUSA-N 2 1 254.374 0.576 20 30 CCEDMP C=C[C@@](C)(O)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001252549620 807906672 /nfs/dbraw/zinc/90/66/72/807906672.db2.gz GLACVFCGIXWMSY-BFHYXJOUSA-N 2 1 254.374 0.576 20 30 CCEDMP C=C[C@@](C)(O)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252549620 807906679 /nfs/dbraw/zinc/90/66/79/807906679.db2.gz GLACVFCGIXWMSY-BFHYXJOUSA-N 2 1 254.374 0.576 20 30 CCEDMP C=C[C@@](C)(O)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252549620 807906684 /nfs/dbraw/zinc/90/66/84/807906684.db2.gz GLACVFCGIXWMSY-BFHYXJOUSA-N 2 1 254.374 0.576 20 30 CCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001278787914 808245324 /nfs/dbraw/zinc/24/53/24/808245324.db2.gz XRZRKDHEMSZYPM-HOCLYGCPSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001278787914 808245328 /nfs/dbraw/zinc/24/53/28/808245328.db2.gz XRZRKDHEMSZYPM-HOCLYGCPSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001278787914 808245334 /nfs/dbraw/zinc/24/53/34/808245334.db2.gz XRZRKDHEMSZYPM-HOCLYGCPSA-N 2 1 293.411 0.047 20 30 CCEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254677155 808273417 /nfs/dbraw/zinc/27/34/17/808273417.db2.gz QIRJRLXXNUGDIM-MGPQQGTHSA-N 2 1 278.400 0.821 20 30 CCEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254677155 808273423 /nfs/dbraw/zinc/27/34/23/808273423.db2.gz QIRJRLXXNUGDIM-MGPQQGTHSA-N 2 1 278.400 0.821 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC=C ZINC001278860122 808350487 /nfs/dbraw/zinc/35/04/87/808350487.db2.gz PHBLSZLARPSGPZ-GJZGRUSLSA-N 2 1 293.411 0.021 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC=C ZINC001278860122 808350495 /nfs/dbraw/zinc/35/04/95/808350495.db2.gz PHBLSZLARPSGPZ-GJZGRUSLSA-N 2 1 293.411 0.021 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CC=C ZINC001278860122 808350504 /nfs/dbraw/zinc/35/05/04/808350504.db2.gz PHBLSZLARPSGPZ-GJZGRUSLSA-N 2 1 293.411 0.021 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CC=C ZINC001278860122 808350511 /nfs/dbraw/zinc/35/05/11/808350511.db2.gz PHBLSZLARPSGPZ-GJZGRUSLSA-N 2 1 293.411 0.021 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001076255294 815267665 /nfs/dbraw/zinc/26/76/65/815267665.db2.gz ZMSFEAUIPYROHT-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC001262567990 809346681 /nfs/dbraw/zinc/34/66/81/809346681.db2.gz JCUWEOVIZRPEAD-MRXNPFEDSA-N 2 1 292.427 0.270 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076364907 815283683 /nfs/dbraw/zinc/28/36/83/815283683.db2.gz YYLVDPCINSFIQM-LSDHHAIUSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076364907 815283684 /nfs/dbraw/zinc/28/36/84/815283684.db2.gz YYLVDPCINSFIQM-LSDHHAIUSA-N 2 1 293.411 0.427 20 30 CCEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC001262636301 809380999 /nfs/dbraw/zinc/38/09/99/809380999.db2.gz OZGDIFIZUKRYSP-CQSZACIVSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC001263101330 809444574 /nfs/dbraw/zinc/44/45/74/809444574.db2.gz PIOHRRFUKBBGOP-CABCVRRESA-N 2 1 295.427 0.462 20 30 CCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264080645 809628073 /nfs/dbraw/zinc/62/80/73/809628073.db2.gz SPIOWFWFQZCELE-GJZGRUSLSA-N 2 1 295.427 0.245 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001264157892 809635213 /nfs/dbraw/zinc/63/52/13/809635213.db2.gz WUXDFZASRILEPS-OLZOCXBDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001264492436 809660067 /nfs/dbraw/zinc/66/00/67/809660067.db2.gz QURWMXKPFJDIHN-UONOGXRCSA-N 2 1 265.401 0.834 20 30 CCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001265257986 809733249 /nfs/dbraw/zinc/73/32/49/809733249.db2.gz VEOZYWGLVSZYLS-AWEZNQCLSA-N 2 1 280.416 0.000 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001265317271 809756838 /nfs/dbraw/zinc/75/68/38/809756838.db2.gz MHFKRJBISVJVQE-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265318799 809757424 /nfs/dbraw/zinc/75/74/24/809757424.db2.gz DJJAGSUGRKFXES-HUUCEWRRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265318799 809757428 /nfs/dbraw/zinc/75/74/28/809757428.db2.gz DJJAGSUGRKFXES-HUUCEWRRSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001265380024 809768938 /nfs/dbraw/zinc/76/89/38/809768938.db2.gz IKGIQDZMVKNFRM-ZDUSSCGKSA-N 2 1 262.357 0.862 20 30 CCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001266027989 809920590 /nfs/dbraw/zinc/92/05/90/809920590.db2.gz FBJASEGMTDODAD-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266027989 809920593 /nfs/dbraw/zinc/92/05/93/809920593.db2.gz FBJASEGMTDODAD-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001266027989 809920597 /nfs/dbraw/zinc/92/05/97/809920597.db2.gz FBJASEGMTDODAD-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266039954 809924043 /nfs/dbraw/zinc/92/40/43/809924043.db2.gz FLRHJGPJLWYJST-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001267338463 811174385 /nfs/dbraw/zinc/17/43/85/811174385.db2.gz XLONLPFZCAARLY-UHFFFAOYSA-N 2 1 263.385 0.686 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001077028640 815434668 /nfs/dbraw/zinc/43/46/68/815434668.db2.gz IDMQATLPSQYXTJ-GBJTYRQASA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077028640 815434673 /nfs/dbraw/zinc/43/46/73/815434673.db2.gz IDMQATLPSQYXTJ-GBJTYRQASA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077028640 815434679 /nfs/dbraw/zinc/43/46/79/815434679.db2.gz IDMQATLPSQYXTJ-GBJTYRQASA-N 2 1 295.427 0.454 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267639008 811601014 /nfs/dbraw/zinc/60/10/14/811601014.db2.gz WPKSGPGIBHXRNS-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267639008 811601017 /nfs/dbraw/zinc/60/10/17/811601017.db2.gz WPKSGPGIBHXRNS-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267639008 811601021 /nfs/dbraw/zinc/60/10/21/811601021.db2.gz WPKSGPGIBHXRNS-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083571741 815480106 /nfs/dbraw/zinc/48/01/06/815480106.db2.gz JURQPFPFLCEYQE-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083571741 815480110 /nfs/dbraw/zinc/48/01/10/815480110.db2.gz JURQPFPFLCEYQE-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083571741 815480113 /nfs/dbraw/zinc/48/01/13/815480113.db2.gz JURQPFPFLCEYQE-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083571741 815480117 /nfs/dbraw/zinc/48/01/17/815480117.db2.gz JURQPFPFLCEYQE-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CC=C)CC1 ZINC001268259469 812427584 /nfs/dbraw/zinc/42/75/84/812427584.db2.gz LTWWQCGLWJGHIJ-UHFFFAOYSA-N 2 1 277.412 0.908 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001268321706 812484757 /nfs/dbraw/zinc/48/47/57/812484757.db2.gz UZJUVYABJOVCQD-UONOGXRCSA-N 2 1 283.416 0.361 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001028329476 812622884 /nfs/dbraw/zinc/62/28/84/812622884.db2.gz MCZSQEORJMAESQ-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001028329476 812622890 /nfs/dbraw/zinc/62/28/90/812622890.db2.gz MCZSQEORJMAESQ-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329476 812622893 /nfs/dbraw/zinc/62/28/93/812622893.db2.gz MCZSQEORJMAESQ-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329476 812622900 /nfs/dbraw/zinc/62/29/00/812622900.db2.gz MCZSQEORJMAESQ-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028545365 812832087 /nfs/dbraw/zinc/83/20/87/812832087.db2.gz PBEYPECOTFFGJN-HIFRSBDPSA-N 2 1 275.396 0.400 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC=C)C1 ZINC001028600809 812955759 /nfs/dbraw/zinc/95/57/59/812955759.db2.gz DOJXMVZPQUCXKH-CABCVRRESA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC=C)C1 ZINC001028600809 812955766 /nfs/dbraw/zinc/95/57/66/812955766.db2.gz DOJXMVZPQUCXKH-CABCVRRESA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC=C)C1 ZINC001028600809 812955772 /nfs/dbraw/zinc/95/57/72/812955772.db2.gz DOJXMVZPQUCXKH-CABCVRRESA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC=C)C1 ZINC001028600809 812955778 /nfs/dbraw/zinc/95/57/78/812955778.db2.gz DOJXMVZPQUCXKH-CABCVRRESA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268747565 813060235 /nfs/dbraw/zinc/06/02/35/813060235.db2.gz SBUOYYBNRAZHQE-TZMCWYRMSA-N 2 1 288.395 0.824 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268747565 813060244 /nfs/dbraw/zinc/06/02/44/813060244.db2.gz SBUOYYBNRAZHQE-TZMCWYRMSA-N 2 1 288.395 0.824 20 30 CCEDMP C#CC[NH2+][C@H](CC)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001269424571 813366049 /nfs/dbraw/zinc/36/60/49/813366049.db2.gz HSESZASTCGPOMC-LLVKDONJSA-N 2 1 278.356 0.467 20 30 CCEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028983571 813723078 /nfs/dbraw/zinc/72/30/78/813723078.db2.gz CZAYKQYBRJCWST-ZIAGYGMSSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028983571 813723082 /nfs/dbraw/zinc/72/30/82/813723082.db2.gz CZAYKQYBRJCWST-ZIAGYGMSSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028983571 813723086 /nfs/dbraw/zinc/72/30/86/813723086.db2.gz CZAYKQYBRJCWST-ZIAGYGMSSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813609 814167207 /nfs/dbraw/zinc/16/72/07/814167207.db2.gz PCUNQQAKBWVVBW-CAOSSQGBSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813609 814167214 /nfs/dbraw/zinc/16/72/14/814167214.db2.gz PCUNQQAKBWVVBW-CAOSSQGBSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813609 814167221 /nfs/dbraw/zinc/16/72/21/814167221.db2.gz PCUNQQAKBWVVBW-CAOSSQGBSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836686 814229806 /nfs/dbraw/zinc/22/98/06/814229806.db2.gz DNGSYDKHAWDGNZ-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836686 814229813 /nfs/dbraw/zinc/22/98/13/814229813.db2.gz DNGSYDKHAWDGNZ-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001087836686 814229820 /nfs/dbraw/zinc/22/98/20/814229820.db2.gz DNGSYDKHAWDGNZ-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001087836686 814229827 /nfs/dbraw/zinc/22/98/27/814229827.db2.gz DNGSYDKHAWDGNZ-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042412 814321115 /nfs/dbraw/zinc/32/11/15/814321115.db2.gz NODPGCAAZWPMHB-CABCVRRESA-N 2 1 286.379 0.605 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042412 814321124 /nfs/dbraw/zinc/32/11/24/814321124.db2.gz NODPGCAAZWPMHB-CABCVRRESA-N 2 1 286.379 0.605 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088860069 816088444 /nfs/dbraw/zinc/08/84/44/816088444.db2.gz UVDSYCWTQFKSJQ-ZNMIVQPWSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1C ZINC001088860069 816088447 /nfs/dbraw/zinc/08/84/47/816088447.db2.gz UVDSYCWTQFKSJQ-ZNMIVQPWSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1C ZINC001088860069 816088454 /nfs/dbraw/zinc/08/84/54/816088454.db2.gz UVDSYCWTQFKSJQ-ZNMIVQPWSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001089037438 816218918 /nfs/dbraw/zinc/21/89/18/816218918.db2.gz DRUDHEMPESXPGQ-AGIUHOORSA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001089037438 816218922 /nfs/dbraw/zinc/21/89/22/816218922.db2.gz DRUDHEMPESXPGQ-AGIUHOORSA-N 2 1 251.374 0.703 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106322399 816740328 /nfs/dbraw/zinc/74/03/28/816740328.db2.gz NODVONGWDFUMGG-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031812699 817387739 /nfs/dbraw/zinc/38/77/39/817387739.db2.gz HDMBNOXQJRGPJT-UHFFFAOYSA-N 2 1 261.369 0.296 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981398 817568460 /nfs/dbraw/zinc/56/84/60/817568460.db2.gz MIIWGEPWYBPXRA-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128832 817656665 /nfs/dbraw/zinc/65/66/65/817656665.db2.gz LGFHPTXPRVOOJD-GJZGRUSLSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483313 818192263 /nfs/dbraw/zinc/19/22/63/818192263.db2.gz GNTNVPWAUPICBB-ZIAGYGMSSA-N 2 1 295.427 0.555 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483313 818192265 /nfs/dbraw/zinc/19/22/65/818192265.db2.gz GNTNVPWAUPICBB-ZIAGYGMSSA-N 2 1 295.427 0.555 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483313 818192268 /nfs/dbraw/zinc/19/22/68/818192268.db2.gz GNTNVPWAUPICBB-ZIAGYGMSSA-N 2 1 295.427 0.555 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483313 818192270 /nfs/dbraw/zinc/19/22/70/818192270.db2.gz GNTNVPWAUPICBB-ZIAGYGMSSA-N 2 1 295.427 0.555 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033081320 818497913 /nfs/dbraw/zinc/49/79/13/818497913.db2.gz MDWARUPALPFLFJ-CVEARBPZSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCF)C1 ZINC001033160698 818588159 /nfs/dbraw/zinc/58/81/59/818588159.db2.gz HXMJPBDZNPOCCK-GJZGRUSLSA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033160698 818588165 /nfs/dbraw/zinc/58/81/65/818588165.db2.gz HXMJPBDZNPOCCK-GJZGRUSLSA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCF)C1 ZINC001033160698 818588172 /nfs/dbraw/zinc/58/81/72/818588172.db2.gz HXMJPBDZNPOCCK-GJZGRUSLSA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCF)C1 ZINC001033160698 818588180 /nfs/dbraw/zinc/58/81/80/818588180.db2.gz HXMJPBDZNPOCCK-GJZGRUSLSA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033196704 818636254 /nfs/dbraw/zinc/63/62/54/818636254.db2.gz FHXFFGGIISCELV-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033196704 818636261 /nfs/dbraw/zinc/63/62/61/818636261.db2.gz FHXFFGGIISCELV-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033196704 818636265 /nfs/dbraw/zinc/63/62/65/818636265.db2.gz FHXFFGGIISCELV-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033196704 818636268 /nfs/dbraw/zinc/63/62/68/818636268.db2.gz FHXFFGGIISCELV-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033534737 818820298 /nfs/dbraw/zinc/82/02/98/818820298.db2.gz XGHZWZIZFQRIOP-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033534737 818820301 /nfs/dbraw/zinc/82/03/01/818820301.db2.gz XGHZWZIZFQRIOP-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033596279 818844133 /nfs/dbraw/zinc/84/41/33/818844133.db2.gz XMKBILYYWFPAOM-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033596279 818844134 /nfs/dbraw/zinc/84/41/34/818844134.db2.gz XMKBILYYWFPAOM-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033596279 818844138 /nfs/dbraw/zinc/84/41/38/818844138.db2.gz XMKBILYYWFPAOM-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001033681125 818883903 /nfs/dbraw/zinc/88/39/03/818883903.db2.gz RUQSTHRNIJSEHD-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001033681125 818883911 /nfs/dbraw/zinc/88/39/11/818883911.db2.gz RUQSTHRNIJSEHD-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001033681125 818883918 /nfs/dbraw/zinc/88/39/18/818883918.db2.gz RUQSTHRNIJSEHD-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033681125 818883930 /nfs/dbraw/zinc/88/39/30/818883930.db2.gz RUQSTHRNIJSEHD-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001033686205 818885808 /nfs/dbraw/zinc/88/58/08/818885808.db2.gz BJXQRXSDLZUAJR-INIZCTEOSA-N 2 1 287.407 0.498 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001034664936 819273958 /nfs/dbraw/zinc/27/39/58/819273958.db2.gz XEPOJCZGZGROBQ-JYJNAYRXSA-N 2 1 287.407 0.734 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001034664936 819273966 /nfs/dbraw/zinc/27/39/66/819273966.db2.gz XEPOJCZGZGROBQ-JYJNAYRXSA-N 2 1 287.407 0.734 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080946413 820657072 /nfs/dbraw/zinc/65/70/72/820657072.db2.gz CFTTXGPLZHWYHQ-DGCLKSJQSA-N 2 1 262.357 0.814 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080946413 820657081 /nfs/dbraw/zinc/65/70/81/820657081.db2.gz CFTTXGPLZHWYHQ-DGCLKSJQSA-N 2 1 262.357 0.814 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694272 820814825 /nfs/dbraw/zinc/81/48/25/820814825.db2.gz UETZMLKYHPQPFZ-KBUPBQIOSA-N 2 1 293.411 0.165 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694272 820814836 /nfs/dbraw/zinc/81/48/36/820814836.db2.gz UETZMLKYHPQPFZ-KBUPBQIOSA-N 2 1 293.411 0.165 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694272 820814845 /nfs/dbraw/zinc/81/48/45/820814845.db2.gz UETZMLKYHPQPFZ-KBUPBQIOSA-N 2 1 293.411 0.165 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328408 820936090 /nfs/dbraw/zinc/93/60/90/820936090.db2.gz SHTKZCZCEJARKM-CHWSQXEVSA-N 2 1 279.384 0.084 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328408 820936096 /nfs/dbraw/zinc/93/60/96/820936096.db2.gz SHTKZCZCEJARKM-CHWSQXEVSA-N 2 1 279.384 0.084 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@H](OC)C1 ZINC001082395188 820955634 /nfs/dbraw/zinc/95/56/34/820955634.db2.gz ZVJYICHBHHGXMT-CHWSQXEVSA-N 2 1 278.356 0.275 20 30 CCEDMP C=C(C)CN1C[C@@H](NC(=O)Cn2ccnc2)[C@H](OC)C1 ZINC001082395188 820955637 /nfs/dbraw/zinc/95/56/37/820955637.db2.gz ZVJYICHBHHGXMT-CHWSQXEVSA-N 2 1 278.356 0.275 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082507084 820991919 /nfs/dbraw/zinc/99/19/19/820991919.db2.gz BEEVSUJVKBJADN-KFWWJZLASA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349648 821276399 /nfs/dbraw/zinc/27/63/99/821276399.db2.gz UQSJUMMSCIAOST-BZUAXINKSA-N 2 1 287.407 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349648 821276408 /nfs/dbraw/zinc/27/64/08/821276408.db2.gz UQSJUMMSCIAOST-BZUAXINKSA-N 2 1 287.407 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085093076 821493518 /nfs/dbraw/zinc/49/35/18/821493518.db2.gz DXGPOJVKFKWUIS-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085093076 821493524 /nfs/dbraw/zinc/49/35/24/821493524.db2.gz DXGPOJVKFKWUIS-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085093076 821493529 /nfs/dbraw/zinc/49/35/29/821493529.db2.gz DXGPOJVKFKWUIS-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001085518329 821763403 /nfs/dbraw/zinc/76/34/03/821763403.db2.gz OZQOUNPWUYFCOF-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001085518329 821763410 /nfs/dbraw/zinc/76/34/10/821763410.db2.gz OZQOUNPWUYFCOF-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001085518329 821763414 /nfs/dbraw/zinc/76/34/14/821763414.db2.gz OZQOUNPWUYFCOF-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085783427 821952433 /nfs/dbraw/zinc/95/24/33/821952433.db2.gz VOAOWUTXVBYEFL-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001085783427 821952436 /nfs/dbraw/zinc/95/24/36/821952436.db2.gz VOAOWUTXVBYEFL-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001085783427 821952442 /nfs/dbraw/zinc/95/24/42/821952442.db2.gz VOAOWUTXVBYEFL-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001085783427 821952447 /nfs/dbraw/zinc/95/24/47/821952447.db2.gz VOAOWUTXVBYEFL-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001086197364 822152078 /nfs/dbraw/zinc/15/20/78/822152078.db2.gz FFYOHCQBFZJLSL-FQUUOJAGSA-N 2 1 265.401 0.855 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086271537 822182845 /nfs/dbraw/zinc/18/28/45/822182845.db2.gz CKCDPCNVUHUILR-RWMBFGLXSA-N 2 1 251.374 0.609 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001086365229 822225275 /nfs/dbraw/zinc/22/52/75/822225275.db2.gz JHOHKKUZDBVSBE-VGWMRTNUSA-N 2 1 289.423 0.978 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100083082 822254347 /nfs/dbraw/zinc/25/43/47/822254347.db2.gz MVBCNNONSXBRSF-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CCOCCOCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169111843 836151502 /nfs/dbraw/zinc/15/15/02/836151502.db2.gz QHBBPMDGYCOQQS-QDMKHBRRSA-N 2 1 266.385 0.868 20 30 CCEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467608 837154739 /nfs/dbraw/zinc/15/47/39/837154739.db2.gz LHLHEDWDAHJNBA-UHFFFAOYSA-N 2 1 297.443 0.800 20 30 CCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170223949 837270004 /nfs/dbraw/zinc/27/00/04/837270004.db2.gz ZKWPZLJTVXWHPI-ZDUSSCGKSA-N 2 1 298.431 0.115 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184810969 844291185 /nfs/dbraw/zinc/29/11/85/844291185.db2.gz SYOOASFOHVJLNJ-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134574132 839016870 /nfs/dbraw/zinc/01/68/70/839016870.db2.gz LHXYQUQAYHJZIF-UHFFFAOYSA-N 2 1 262.357 0.736 20 30 CCEDMP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135676020 839352625 /nfs/dbraw/zinc/35/26/25/839352625.db2.gz ORYMANUEBXXMFL-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135882675 839454745 /nfs/dbraw/zinc/45/47/45/839454745.db2.gz QXKJJEQLYVABPM-STQMWFEESA-N 2 1 253.390 0.834 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001185676296 844450881 /nfs/dbraw/zinc/45/08/81/844450881.db2.gz SVWNRISOGVOBAC-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090538412 839625670 /nfs/dbraw/zinc/62/56/70/839625670.db2.gz QUMHVFPUGWLYNP-CABCVRRESA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090817907 839832087 /nfs/dbraw/zinc/83/20/87/839832087.db2.gz UBIJGWYTTNGXMI-KBPBESRZSA-N 2 1 281.400 0.210 20 30 CCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001091372524 840194046 /nfs/dbraw/zinc/19/40/46/840194046.db2.gz PFCJRSSCXZNZJY-NRXISQOPSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001091372524 840194047 /nfs/dbraw/zinc/19/40/47/840194047.db2.gz PFCJRSSCXZNZJY-NRXISQOPSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001091373253 840194052 /nfs/dbraw/zinc/19/40/52/840194052.db2.gz BCTXXSAJMSSUFW-JXQTWKCFSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001091373253 840194054 /nfs/dbraw/zinc/19/40/54/840194054.db2.gz BCTXXSAJMSSUFW-JXQTWKCFSA-N 2 1 281.400 0.378 20 30 CCEDMP NC(=O)c1ccc(C(=[NH2+])Nc2cnc3c(c2)C[NH2+]CC3)cc1 ZINC001171257237 840219810 /nfs/dbraw/zinc/21/98/10/840219810.db2.gz VOLBXOMXOWGGOR-UHFFFAOYSA-N 2 1 295.346 0.863 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091543362 840261838 /nfs/dbraw/zinc/26/18/38/840261838.db2.gz IRPLFQCAHWNYQP-VYDXJSESSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543362 840261851 /nfs/dbraw/zinc/26/18/51/840261851.db2.gz IRPLFQCAHWNYQP-VYDXJSESSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543362 840261864 /nfs/dbraw/zinc/26/18/64/840261864.db2.gz IRPLFQCAHWNYQP-VYDXJSESSA-N 2 1 289.423 0.884 20 30 CCEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605398 840843366 /nfs/dbraw/zinc/84/33/66/840843366.db2.gz QXNGMKZSVOHVBE-UHFFFAOYSA-N 2 1 295.427 0.675 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001273447898 840928906 /nfs/dbraw/zinc/92/89/06/840928906.db2.gz ZXQIOMNNZFPGCE-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171732143 841755697 /nfs/dbraw/zinc/75/56/97/841755697.db2.gz XJQFTSBYDGUINP-UHFFFAOYSA-N 2 1 253.390 0.838 20 30 CCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176685442 842398853 /nfs/dbraw/zinc/39/88/53/842398853.db2.gz BOQBNWSTTBPXIG-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176685442 842398860 /nfs/dbraw/zinc/39/88/60/842398860.db2.gz BOQBNWSTTBPXIG-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150626203 842412349 /nfs/dbraw/zinc/41/23/49/842412349.db2.gz TYRKRJDQNXXINX-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#CCOC ZINC001176986760 842477454 /nfs/dbraw/zinc/47/74/54/842477454.db2.gz VIBWZRHNGRSVAZ-OAHLLOKOSA-N 2 1 295.427 0.607 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176991928 842479795 /nfs/dbraw/zinc/47/97/95/842479795.db2.gz FWYDLQBANMRKEC-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](C)OC)C1 ZINC001183353800 844004535 /nfs/dbraw/zinc/00/45/35/844004535.db2.gz ASFZHRYXWCPGLK-KFWWJZLASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](C)OC)C1 ZINC001183353800 844004540 /nfs/dbraw/zinc/00/45/40/844004540.db2.gz ASFZHRYXWCPGLK-KFWWJZLASA-N 2 1 293.411 0.309 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001187982815 844812487 /nfs/dbraw/zinc/81/24/87/844812487.db2.gz RZKSGHHUKYYLMQ-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001187982815 844812494 /nfs/dbraw/zinc/81/24/94/844812494.db2.gz RZKSGHHUKYYLMQ-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221909 845356910 /nfs/dbraw/zinc/35/69/10/845356910.db2.gz SOHNZKJFRAPTRY-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190444272 845399702 /nfs/dbraw/zinc/39/97/02/845399702.db2.gz QARLMQVSRSFJCV-ZIAGYGMSSA-N 2 1 283.391 0.832 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193292708 846046555 /nfs/dbraw/zinc/04/65/55/846046555.db2.gz SGKFKKQJYZWUJA-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193292708 846046562 /nfs/dbraw/zinc/04/65/62/846046562.db2.gz SGKFKKQJYZWUJA-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193292708 846046569 /nfs/dbraw/zinc/04/65/69/846046569.db2.gz SGKFKKQJYZWUJA-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC#CCOC)C1 ZINC001193642086 846133196 /nfs/dbraw/zinc/13/31/96/846133196.db2.gz LTXARLYJSMOGTI-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC#CCOC)C1 ZINC001193642086 846133202 /nfs/dbraw/zinc/13/32/02/846133202.db2.gz LTXARLYJSMOGTI-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC#CCOC)C1 ZINC001193642086 846133205 /nfs/dbraw/zinc/13/32/05/846133205.db2.gz LTXARLYJSMOGTI-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194154689 846224989 /nfs/dbraw/zinc/22/49/89/846224989.db2.gz MRLPKLLLUNPGCN-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001194154689 846224998 /nfs/dbraw/zinc/22/49/98/846224998.db2.gz MRLPKLLLUNPGCN-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001194154689 846225008 /nfs/dbraw/zinc/22/50/08/846225008.db2.gz MRLPKLLLUNPGCN-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194154689 846225017 /nfs/dbraw/zinc/22/50/17/846225017.db2.gz MRLPKLLLUNPGCN-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194154689 846225023 /nfs/dbraw/zinc/22/50/23/846225023.db2.gz MRLPKLLLUNPGCN-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196962854 846825806 /nfs/dbraw/zinc/82/58/06/846825806.db2.gz KBWBFRIKZJOPML-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196962854 846825810 /nfs/dbraw/zinc/82/58/10/846825810.db2.gz KBWBFRIKZJOPML-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200807591 847694436 /nfs/dbraw/zinc/69/44/36/847694436.db2.gz WHQWBZLXOLVCMR-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057161 847851632 /nfs/dbraw/zinc/85/16/32/847851632.db2.gz DMQWGPYCJIIIMS-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202165626 847862377 /nfs/dbraw/zinc/86/23/77/847862377.db2.gz SBXSATCJGIRSJV-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114361441 848026426 /nfs/dbraw/zinc/02/64/26/848026426.db2.gz NPBGKGAFGIXBBI-LJISPDSOSA-N 2 1 295.402 0.736 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114423056 848055507 /nfs/dbraw/zinc/05/55/07/848055507.db2.gz KWHRTMXEPCKMCA-AIANPOQGSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001114423056 848055514 /nfs/dbraw/zinc/05/55/14/848055514.db2.gz KWHRTMXEPCKMCA-AIANPOQGSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001114423056 848055524 /nfs/dbraw/zinc/05/55/24/848055524.db2.gz KWHRTMXEPCKMCA-AIANPOQGSA-N 2 1 289.423 0.931 20 30 CCEDMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001114464426 848074762 /nfs/dbraw/zinc/07/47/62/848074762.db2.gz TWIHXDIUMWCGDS-BARDWOONSA-N 2 1 293.411 0.023 20 30 CCEDMP CC#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001274297862 848443959 /nfs/dbraw/zinc/44/39/59/848443959.db2.gz LLSSUTFXEUXYEZ-KGLIPLIRSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001274752594 848560890 /nfs/dbraw/zinc/56/08/90/848560890.db2.gz DPTRSONGJPURSM-KGLIPLIRSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001275144249 848650579 /nfs/dbraw/zinc/65/05/79/848650579.db2.gz WJNUNALWCKLOIV-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001275144249 848650587 /nfs/dbraw/zinc/65/05/87/848650587.db2.gz WJNUNALWCKLOIV-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001275144249 848650592 /nfs/dbraw/zinc/65/05/92/848650592.db2.gz WJNUNALWCKLOIV-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCF ZINC001275573828 848764766 /nfs/dbraw/zinc/76/47/66/848764766.db2.gz IOFURJJRLXPZHW-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCF ZINC001275573828 848764776 /nfs/dbraw/zinc/76/47/76/848764776.db2.gz IOFURJJRLXPZHW-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCF ZINC001275573828 848764781 /nfs/dbraw/zinc/76/47/81/848764781.db2.gz IOFURJJRLXPZHW-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCF ZINC001275573828 848764785 /nfs/dbraw/zinc/76/47/85/848764785.db2.gz IOFURJJRLXPZHW-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C=CCOCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001275836093 848840315 /nfs/dbraw/zinc/84/03/15/848840315.db2.gz RDCVTROMKVPCSX-RBSFLKMASA-N 2 1 297.443 0.966 20 30 CCEDMP C=CCOCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275836093 848840317 /nfs/dbraw/zinc/84/03/17/848840317.db2.gz RDCVTROMKVPCSX-RBSFLKMASA-N 2 1 297.443 0.966 20 30 CCEDMP C=CCOCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275836093 848840321 /nfs/dbraw/zinc/84/03/21/848840321.db2.gz RDCVTROMKVPCSX-RBSFLKMASA-N 2 1 297.443 0.966 20 30 CCEDMP C=CC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001276333798 849426424 /nfs/dbraw/zinc/42/64/24/849426424.db2.gz WZCPZBIMMXXDKC-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001114849600 849436134 /nfs/dbraw/zinc/43/61/34/849436134.db2.gz TWIHXDIUMWCGDS-LJISPDSOSA-N 2 1 293.411 0.023 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001038264739 849835658 /nfs/dbraw/zinc/83/56/58/849835658.db2.gz FVKCWRIWTYMSJE-FRRDWIJNSA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001038264739 849835665 /nfs/dbraw/zinc/83/56/65/849835665.db2.gz FVKCWRIWTYMSJE-FRRDWIJNSA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038264739 849835669 /nfs/dbraw/zinc/83/56/69/849835669.db2.gz FVKCWRIWTYMSJE-FRRDWIJNSA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038264739 849835677 /nfs/dbraw/zinc/83/56/77/849835677.db2.gz FVKCWRIWTYMSJE-FRRDWIJNSA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038538224 849936129 /nfs/dbraw/zinc/93/61/29/849936129.db2.gz VFALHYHMGOHSBP-IQXANGCESA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038538224 849936138 /nfs/dbraw/zinc/93/61/38/849936138.db2.gz VFALHYHMGOHSBP-IQXANGCESA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038538224 849936148 /nfs/dbraw/zinc/93/61/48/849936148.db2.gz VFALHYHMGOHSBP-IQXANGCESA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038538224 849936170 /nfs/dbraw/zinc/93/61/70/849936170.db2.gz VFALHYHMGOHSBP-IQXANGCESA-N 2 1 291.395 0.226 20 30 CCEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001039470375 850195750 /nfs/dbraw/zinc/19/57/50/850195750.db2.gz XXLNXFPFUICODW-ZNMIVQPWSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001039470375 850195759 /nfs/dbraw/zinc/19/57/59/850195759.db2.gz XXLNXFPFUICODW-ZNMIVQPWSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001039470375 850195765 /nfs/dbraw/zinc/19/57/65/850195765.db2.gz XXLNXFPFUICODW-ZNMIVQPWSA-N 2 1 275.396 0.637 20 30 CCEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041170003 850390674 /nfs/dbraw/zinc/39/06/74/850390674.db2.gz MMXBDTQSOVSYQR-HOCLYGCPSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041170003 850390649 /nfs/dbraw/zinc/39/06/49/850390649.db2.gz MMXBDTQSOVSYQR-HOCLYGCPSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041170003 850390663 /nfs/dbraw/zinc/39/06/63/850390663.db2.gz MMXBDTQSOVSYQR-HOCLYGCPSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041170003 850390685 /nfs/dbraw/zinc/39/06/85/850390685.db2.gz MMXBDTQSOVSYQR-HOCLYGCPSA-N 2 1 293.411 0.427 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041402172 850443275 /nfs/dbraw/zinc/44/32/75/850443275.db2.gz HPYMBIUYUJFEDO-ZBFHGGJFSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043879186 850955205 /nfs/dbraw/zinc/95/52/05/850955205.db2.gz DNSVYHFEJLKOPI-OCCSQVGLSA-N 2 1 265.401 0.903 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043879186 850955213 /nfs/dbraw/zinc/95/52/13/850955213.db2.gz DNSVYHFEJLKOPI-OCCSQVGLSA-N 2 1 265.401 0.903 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046196154 851418655 /nfs/dbraw/zinc/41/86/55/851418655.db2.gz ACTDWHUJFATUJU-DZGCQCFKSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046196154 851418659 /nfs/dbraw/zinc/41/86/59/851418659.db2.gz ACTDWHUJFATUJU-DZGCQCFKSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046196154 851418663 /nfs/dbraw/zinc/41/86/63/851418663.db2.gz ACTDWHUJFATUJU-DZGCQCFKSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046196154 851418668 /nfs/dbraw/zinc/41/86/68/851418668.db2.gz ACTDWHUJFATUJU-DZGCQCFKSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046855537 851632110 /nfs/dbraw/zinc/63/21/10/851632110.db2.gz UHRKAOCYSAEDIQ-DZGCQCFKSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046855537 851632115 /nfs/dbraw/zinc/63/21/15/851632115.db2.gz UHRKAOCYSAEDIQ-DZGCQCFKSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046855537 851632095 /nfs/dbraw/zinc/63/20/95/851632095.db2.gz UHRKAOCYSAEDIQ-DZGCQCFKSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046855537 851632105 /nfs/dbraw/zinc/63/21/05/851632105.db2.gz UHRKAOCYSAEDIQ-DZGCQCFKSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624809 851837368 /nfs/dbraw/zinc/83/73/68/851837368.db2.gz QERFHOXCCIIEBC-KBPBESRZSA-N 2 1 292.383 0.271 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624809 851837373 /nfs/dbraw/zinc/83/73/73/851837373.db2.gz QERFHOXCCIIEBC-KBPBESRZSA-N 2 1 292.383 0.271 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048739857 852042372 /nfs/dbraw/zinc/04/23/72/852042372.db2.gz PEGSTWXDOZWWEP-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739857 852042380 /nfs/dbraw/zinc/04/23/80/852042380.db2.gz PEGSTWXDOZWWEP-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739857 852042389 /nfs/dbraw/zinc/04/23/89/852042389.db2.gz PEGSTWXDOZWWEP-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739857 852042395 /nfs/dbraw/zinc/04/23/95/852042395.db2.gz PEGSTWXDOZWWEP-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739857 852042403 /nfs/dbraw/zinc/04/24/03/852042403.db2.gz PEGSTWXDOZWWEP-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863577 852088096 /nfs/dbraw/zinc/08/80/96/852088096.db2.gz HNLXJFGGPMTQKI-ZNMIVQPWSA-N 2 1 277.412 0.903 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059708 852152853 /nfs/dbraw/zinc/15/28/53/852152853.db2.gz DRQXALVHAWPUGY-XQLPTFJDSA-N 2 1 275.396 0.208 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059708 852152854 /nfs/dbraw/zinc/15/28/54/852152854.db2.gz DRQXALVHAWPUGY-XQLPTFJDSA-N 2 1 275.396 0.208 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059708 852152857 /nfs/dbraw/zinc/15/28/57/852152857.db2.gz DRQXALVHAWPUGY-XQLPTFJDSA-N 2 1 275.396 0.208 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049170725 852183776 /nfs/dbraw/zinc/18/37/76/852183776.db2.gz CHYRGLAPFXHVAT-HRCADAONSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049170725 852183783 /nfs/dbraw/zinc/18/37/83/852183783.db2.gz CHYRGLAPFXHVAT-HRCADAONSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049170725 852183789 /nfs/dbraw/zinc/18/37/89/852183789.db2.gz CHYRGLAPFXHVAT-HRCADAONSA-N 2 1 289.423 0.742 20 30 CCEDMP C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C)CCO1)C2 ZINC001096911901 852464951 /nfs/dbraw/zinc/46/49/51/852464951.db2.gz RASVBQOTPUPZLH-YIYPIFLZSA-N 2 1 279.384 0.225 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001052933697 852673996 /nfs/dbraw/zinc/67/39/96/852673996.db2.gz CVHHWWJIGVBYCZ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052933697 852673998 /nfs/dbraw/zinc/67/39/98/852673998.db2.gz CVHHWWJIGVBYCZ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052933697 852674000 /nfs/dbraw/zinc/67/40/00/852674000.db2.gz CVHHWWJIGVBYCZ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001054007802 852866549 /nfs/dbraw/zinc/86/65/49/852866549.db2.gz MUUGHEYBGQYJIW-KBPBESRZSA-N 2 1 293.411 0.474 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001054007802 852866553 /nfs/dbraw/zinc/86/65/53/852866553.db2.gz MUUGHEYBGQYJIW-KBPBESRZSA-N 2 1 293.411 0.474 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001072815697 854471159 /nfs/dbraw/zinc/47/11/59/854471159.db2.gz CKTMUOIFONNWDX-UHFFFAOYSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001072815697 854471164 /nfs/dbraw/zinc/47/11/64/854471164.db2.gz CKTMUOIFONNWDX-UHFFFAOYSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001072815697 854471172 /nfs/dbraw/zinc/47/11/72/854471172.db2.gz CKTMUOIFONNWDX-UHFFFAOYSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001072981408 854506782 /nfs/dbraw/zinc/50/67/82/854506782.db2.gz HEUGWJLSKPLQQU-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001072981408 854506784 /nfs/dbraw/zinc/50/67/84/854506784.db2.gz HEUGWJLSKPLQQU-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001072981408 854506787 /nfs/dbraw/zinc/50/67/87/854506787.db2.gz HEUGWJLSKPLQQU-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001072982936 854507793 /nfs/dbraw/zinc/50/77/93/854507793.db2.gz GJZYRHPGDNDVHB-UONOGXRCSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072982936 854507802 /nfs/dbraw/zinc/50/78/02/854507802.db2.gz GJZYRHPGDNDVHB-UONOGXRCSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072982936 854507811 /nfs/dbraw/zinc/50/78/11/854507811.db2.gz GJZYRHPGDNDVHB-UONOGXRCSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001074657793 854762648 /nfs/dbraw/zinc/76/26/48/854762648.db2.gz DBCPDPHKBZXAOR-RQJABVFESA-N 2 1 263.385 0.539 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(CC)CCO1)C2 ZINC001098445968 854866790 /nfs/dbraw/zinc/86/67/90/854866790.db2.gz YZFWHLXNJHYTOX-KBXIAJHMSA-N 2 1 293.411 0.615 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872517 855013753 /nfs/dbraw/zinc/01/37/53/855013753.db2.gz VIZKRIXLRUHEJB-KGLIPLIRSA-N 2 1 293.411 0.045 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100066332 855090613 /nfs/dbraw/zinc/09/06/13/855090613.db2.gz HCYYMTKYJWWZRF-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100066332 855090616 /nfs/dbraw/zinc/09/06/16/855090616.db2.gz HCYYMTKYJWWZRF-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100066332 855090620 /nfs/dbraw/zinc/09/06/20/855090620.db2.gz HCYYMTKYJWWZRF-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100066331 855090716 /nfs/dbraw/zinc/09/07/16/855090716.db2.gz HCYYMTKYJWWZRF-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100066331 855090721 /nfs/dbraw/zinc/09/07/21/855090721.db2.gz HCYYMTKYJWWZRF-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100066331 855090726 /nfs/dbraw/zinc/09/07/26/855090726.db2.gz HCYYMTKYJWWZRF-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCF)C1 ZINC001100415163 855163172 /nfs/dbraw/zinc/16/31/72/855163172.db2.gz BCFBHCBNDMSJRK-NRXISQOPSA-N 2 1 295.402 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCF)C1 ZINC001100415163 855163179 /nfs/dbraw/zinc/16/31/79/855163179.db2.gz BCFBHCBNDMSJRK-NRXISQOPSA-N 2 1 295.402 0.928 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001100674110 855208160 /nfs/dbraw/zinc/20/81/60/855208160.db2.gz MRPNUVMMDPJNNT-IYXRBSQSSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001324957913 913118656 /nfs/dbraw/zinc/11/86/56/913118656.db2.gz OVQSIRQWOXTRRH-HNNXBMFYSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001481099787 892162521 /nfs/dbraw/zinc/16/25/21/892162521.db2.gz SYHNNDFRGFLGAK-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001481696275 893031372 /nfs/dbraw/zinc/03/13/72/893031372.db2.gz VHDOCFAIKQZTCX-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481696275 893031392 /nfs/dbraw/zinc/03/13/92/893031392.db2.gz VHDOCFAIKQZTCX-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481696275 893031412 /nfs/dbraw/zinc/03/14/12/893031412.db2.gz VHDOCFAIKQZTCX-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001481695486 893032459 /nfs/dbraw/zinc/03/24/59/893032459.db2.gz OVXLIPBJJGQGNY-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001481695486 893032480 /nfs/dbraw/zinc/03/24/80/893032480.db2.gz OVXLIPBJJGQGNY-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481708404 893057461 /nfs/dbraw/zinc/05/74/61/893057461.db2.gz LGGJEGHCTWILKO-OLZOCXBDSA-N 2 1 253.390 0.949 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483129405 894979571 /nfs/dbraw/zinc/97/95/71/894979571.db2.gz XVNKHCGNNSPVHM-JHJVBQTASA-N 2 1 251.374 0.444 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483266345 895398475 /nfs/dbraw/zinc/39/84/75/895398475.db2.gz IJRWRNZTAOGCQP-OLZOCXBDSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001484976037 896690748 /nfs/dbraw/zinc/69/07/48/896690748.db2.gz KUELSNUZPLXLKW-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCc2cncn2C)C[C@H]1C ZINC001484986161 896696891 /nfs/dbraw/zinc/69/68/91/896696891.db2.gz PXZNOTOEMFHRSX-KGLIPLIRSA-N 2 1 288.395 0.955 20 30 CCEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485248121 896883212 /nfs/dbraw/zinc/88/32/12/896883212.db2.gz FOBGORBDVZCEJA-CQSZACIVSA-N 2 1 295.427 0.415 20 30 CCEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485248121 896883230 /nfs/dbraw/zinc/88/32/30/896883230.db2.gz FOBGORBDVZCEJA-CQSZACIVSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CCC ZINC001485377327 897009724 /nfs/dbraw/zinc/00/97/24/897009724.db2.gz ZUWZKRULXCCGQN-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CCC ZINC001485377327 897009730 /nfs/dbraw/zinc/00/97/30/897009730.db2.gz ZUWZKRULXCCGQN-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CCC ZINC001485377327 897009741 /nfs/dbraw/zinc/00/97/41/897009741.db2.gz ZUWZKRULXCCGQN-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001485701157 897197096 /nfs/dbraw/zinc/19/70/96/897197096.db2.gz DQSWMQDQOMYASH-JOCQHMNTSA-N 2 1 253.390 0.999 20 30 CCEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485715880 897198307 /nfs/dbraw/zinc/19/83/07/897198307.db2.gz IPFGVVKRAQSAGV-UONOGXRCSA-N 2 1 281.400 0.215 20 30 CCEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485715880 897198316 /nfs/dbraw/zinc/19/83/16/897198316.db2.gz IPFGVVKRAQSAGV-UONOGXRCSA-N 2 1 281.400 0.215 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388927 897686322 /nfs/dbraw/zinc/68/63/22/897686322.db2.gz MCPURDUAZHNSMC-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388927 897686336 /nfs/dbraw/zinc/68/63/36/897686336.db2.gz MCPURDUAZHNSMC-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485834553 898051317 /nfs/dbraw/zinc/05/13/17/898051317.db2.gz QBSPNKQVKPXYBZ-ZIAGYGMSSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012797 898179228 /nfs/dbraw/zinc/17/92/28/898179228.db2.gz AXAUQOJJVPDCEJ-ZIAGYGMSSA-N 2 1 293.411 0.210 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032781345 898180300 /nfs/dbraw/zinc/18/03/00/898180300.db2.gz REHLHQZKVHWVAS-IHRRRGAJSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032781345 898180305 /nfs/dbraw/zinc/18/03/05/898180305.db2.gz REHLHQZKVHWVAS-IHRRRGAJSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032781345 898180310 /nfs/dbraw/zinc/18/03/10/898180310.db2.gz REHLHQZKVHWVAS-IHRRRGAJSA-N 2 1 261.369 0.247 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032781202 898180490 /nfs/dbraw/zinc/18/04/90/898180490.db2.gz NKZYZEWADPHSHK-RDBSUJKOSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032781202 898180503 /nfs/dbraw/zinc/18/05/03/898180503.db2.gz NKZYZEWADPHSHK-RDBSUJKOSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032781202 898180509 /nfs/dbraw/zinc/18/05/09/898180509.db2.gz NKZYZEWADPHSHK-RDBSUJKOSA-N 2 1 263.385 0.799 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001485959559 898557930 /nfs/dbraw/zinc/55/79/30/898557930.db2.gz WWNFDNCHIZAQSP-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001485959559 898557939 /nfs/dbraw/zinc/55/79/39/898557939.db2.gz WWNFDNCHIZAQSP-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001486278187 898739045 /nfs/dbraw/zinc/73/90/45/898739045.db2.gz LXMZPEVOKQNDQP-SOUVJXGZSA-N 2 1 297.443 0.702 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001486295441 898761777 /nfs/dbraw/zinc/76/17/77/898761777.db2.gz PTGUIAVBTPCJGM-GJZGRUSLSA-N 2 1 297.443 0.703 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001486309043 898772104 /nfs/dbraw/zinc/77/21/04/898772104.db2.gz DIVQGMIXEZQQPF-CYBMUJFWSA-N 2 1 285.432 0.559 20 30 CCEDMP CC#CC[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001486480155 898896829 /nfs/dbraw/zinc/89/68/29/898896829.db2.gz OCARVSYQKCWMOC-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCO1 ZINC001327033951 914325726 /nfs/dbraw/zinc/32/57/26/914325726.db2.gz GVZCLULOCBDTST-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001325126116 899903896 /nfs/dbraw/zinc/90/38/96/899903896.db2.gz LNXIWWANGNJQIU-MRXNPFEDSA-N 2 1 295.427 0.151 20 30 CCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325126116 899903903 /nfs/dbraw/zinc/90/39/03/899903903.db2.gz LNXIWWANGNJQIU-MRXNPFEDSA-N 2 1 295.427 0.151 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325126116 899903914 /nfs/dbraw/zinc/90/39/14/899903914.db2.gz LNXIWWANGNJQIU-MRXNPFEDSA-N 2 1 295.427 0.151 20 30 CCEDMP C#CCN1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)CCC ZINC001488683176 900342389 /nfs/dbraw/zinc/34/23/89/900342389.db2.gz AEXOOBVBKKOMBQ-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CCC ZINC001488683176 900342395 /nfs/dbraw/zinc/34/23/95/900342395.db2.gz AEXOOBVBKKOMBQ-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)CCC ZINC001488683176 900342407 /nfs/dbraw/zinc/34/24/07/900342407.db2.gz AEXOOBVBKKOMBQ-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001488683176 900342421 /nfs/dbraw/zinc/34/24/21/900342421.db2.gz AEXOOBVBKKOMBQ-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001488683176 900342435 /nfs/dbraw/zinc/34/24/35/900342435.db2.gz AEXOOBVBKKOMBQ-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001488790682 900390300 /nfs/dbraw/zinc/39/03/00/900390300.db2.gz YHGMUUKIZBVZCY-MELADBBJSA-N 2 1 265.401 0.999 20 30 CCEDMP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC#CCOC ZINC001489133762 900435291 /nfs/dbraw/zinc/43/52/91/900435291.db2.gz WJSQOYDZQDFZRS-LSDHHAIUSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CCF ZINC001490209133 900550698 /nfs/dbraw/zinc/55/06/98/900550698.db2.gz UAEBSKLERUHQDL-ZDUSSCGKSA-N 2 1 269.364 0.492 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCF ZINC001490209133 900550708 /nfs/dbraw/zinc/55/07/08/900550708.db2.gz UAEBSKLERUHQDL-ZDUSSCGKSA-N 2 1 269.364 0.492 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCF ZINC001490209133 900550718 /nfs/dbraw/zinc/55/07/18/900550718.db2.gz UAEBSKLERUHQDL-ZDUSSCGKSA-N 2 1 269.364 0.492 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCF ZINC001490209133 900550728 /nfs/dbraw/zinc/55/07/28/900550728.db2.gz UAEBSKLERUHQDL-ZDUSSCGKSA-N 2 1 269.364 0.492 20 30 CCEDMP C=CC[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001490710259 900698068 /nfs/dbraw/zinc/69/80/68/900698068.db2.gz WPPGWAJZAATYSQ-CYBMUJFWSA-N 2 1 262.357 0.862 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064163 903831918 /nfs/dbraw/zinc/83/19/18/903831918.db2.gz JIUOSLONNZWFGR-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001316604781 904120872 /nfs/dbraw/zinc/12/08/72/904120872.db2.gz USHYVNWRKYRCHW-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001316604781 904120879 /nfs/dbraw/zinc/12/08/79/904120879.db2.gz USHYVNWRKYRCHW-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001281890348 904362694 /nfs/dbraw/zinc/36/26/94/904362694.db2.gz LYSPOPCJDWTNFS-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001332634665 904544378 /nfs/dbraw/zinc/54/43/78/904544378.db2.gz SBVFHEUXKPIXBU-HUUCEWRRSA-N 2 1 297.443 0.796 20 30 CCEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001332634665 904544387 /nfs/dbraw/zinc/54/43/87/904544387.db2.gz SBVFHEUXKPIXBU-HUUCEWRRSA-N 2 1 297.443 0.796 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001332634665 904544393 /nfs/dbraw/zinc/54/43/93/904544393.db2.gz SBVFHEUXKPIXBU-HUUCEWRRSA-N 2 1 297.443 0.796 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001282886666 904569038 /nfs/dbraw/zinc/56/90/38/904569038.db2.gz SLVYSBRVMBUULL-QKDCVEJESA-N 2 1 286.379 0.509 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001282886666 904569045 /nfs/dbraw/zinc/56/90/45/904569045.db2.gz SLVYSBRVMBUULL-QKDCVEJESA-N 2 1 286.379 0.509 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001284478215 905311141 /nfs/dbraw/zinc/31/11/41/905311141.db2.gz UDJCSWDIEOSHGR-CYBMUJFWSA-N 2 1 271.405 0.312 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001491855982 907608815 /nfs/dbraw/zinc/60/88/15/907608815.db2.gz MVXHZGLMDKWCEI-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001491855982 907608826 /nfs/dbraw/zinc/60/88/26/907608826.db2.gz MVXHZGLMDKWCEI-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001492073207 907694652 /nfs/dbraw/zinc/69/46/52/907694652.db2.gz NARVECYIPJRLKA-RDBSUJKOSA-N 2 1 265.401 0.834 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001492143936 907719683 /nfs/dbraw/zinc/71/96/83/907719683.db2.gz NRSZWIDOOOSFLI-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001492143936 907719688 /nfs/dbraw/zinc/71/96/88/907719688.db2.gz NRSZWIDOOOSFLI-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492143936 907719694 /nfs/dbraw/zinc/71/96/94/907719694.db2.gz NRSZWIDOOOSFLI-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492143936 907719700 /nfs/dbraw/zinc/71/97/00/907719700.db2.gz NRSZWIDOOOSFLI-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1C[N@H+](CC)CC1(C)C ZINC001304042943 908137219 /nfs/dbraw/zinc/13/72/19/908137219.db2.gz PGPMZVCKPJSUFD-LBPRGKRZSA-N 2 1 253.390 0.951 20 30 CCEDMP CC[C@H](C(=O)NCC[N@@H+](CC)CC#CCOC)[NH+](C)C ZINC001317490984 908498659 /nfs/dbraw/zinc/49/86/59/908498659.db2.gz NKODVVSHCHMKJG-CQSZACIVSA-N 2 1 283.416 0.415 20 30 CCEDMP C#CCC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316865556 908561191 /nfs/dbraw/zinc/56/11/91/908561191.db2.gz MFNQPRRLMCIIPD-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001316865556 908561199 /nfs/dbraw/zinc/56/11/99/908561199.db2.gz MFNQPRRLMCIIPD-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001316865556 908561206 /nfs/dbraw/zinc/56/12/06/908561206.db2.gz MFNQPRRLMCIIPD-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC1)C1CC1 ZINC001317015505 908717531 /nfs/dbraw/zinc/71/75/31/908717531.db2.gz GLNFPKDCCRIMJH-CVEARBPZSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC1)C1CC1 ZINC001317015505 908717537 /nfs/dbraw/zinc/71/75/37/908717537.db2.gz GLNFPKDCCRIMJH-CVEARBPZSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC1CCC1 ZINC001317450610 909218834 /nfs/dbraw/zinc/21/88/34/909218834.db2.gz WJWKHWBMOHKMLU-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC1CCC1 ZINC001317450610 909218845 /nfs/dbraw/zinc/21/88/45/909218845.db2.gz WJWKHWBMOHKMLU-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCC1 ZINC001317450610 909218861 /nfs/dbraw/zinc/21/88/61/909218861.db2.gz WJWKHWBMOHKMLU-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCC1 ZINC001317450610 909218875 /nfs/dbraw/zinc/21/88/75/909218875.db2.gz WJWKHWBMOHKMLU-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001317861876 909525622 /nfs/dbraw/zinc/52/56/22/909525622.db2.gz FHHBSFDGUNLXNR-GJZGRUSLSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001317861876 909525633 /nfs/dbraw/zinc/52/56/33/909525633.db2.gz FHHBSFDGUNLXNR-GJZGRUSLSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001317861876 909525646 /nfs/dbraw/zinc/52/56/46/909525646.db2.gz FHHBSFDGUNLXNR-GJZGRUSLSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001317861876 909525653 /nfs/dbraw/zinc/52/56/53/909525653.db2.gz FHHBSFDGUNLXNR-GJZGRUSLSA-N 2 1 295.427 0.673 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001318437320 909753270 /nfs/dbraw/zinc/75/32/70/909753270.db2.gz OAMDQHVNQXEMSS-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001318437320 909753275 /nfs/dbraw/zinc/75/32/75/909753275.db2.gz OAMDQHVNQXEMSS-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CC[NH2+][C@H](CC)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001318527856 909803564 /nfs/dbraw/zinc/80/35/64/909803564.db2.gz GCXCZQNYMVLXHQ-GFCCVEGCSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001319919377 910350485 /nfs/dbraw/zinc/35/04/85/910350485.db2.gz UBOQUIXEYQDGIF-CQSZACIVSA-N 2 1 265.401 0.834 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001320226660 910540841 /nfs/dbraw/zinc/54/08/41/910540841.db2.gz DPLPCRZMFPBIJF-KGLIPLIRSA-N 2 1 283.416 0.504 20 30 CCEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322235145 911722903 /nfs/dbraw/zinc/72/29/03/911722903.db2.gz CNYOGORWDOOKAW-ZDUSSCGKSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001322298222 911753265 /nfs/dbraw/zinc/75/32/65/911753265.db2.gz JVYGHNMVUCJDPK-KGLIPLIRSA-N 2 1 281.400 0.024 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001323035715 912085234 /nfs/dbraw/zinc/08/52/34/912085234.db2.gz MTZAQOFVLZQBIO-CYBMUJFWSA-N 2 1 260.341 0.309 20 30 CCEDMP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001329148734 915706094 /nfs/dbraw/zinc/70/60/94/915706094.db2.gz QWGDFKGKKWIPQU-ZIAGYGMSSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001329357700 915837712 /nfs/dbraw/zinc/83/77/12/915837712.db2.gz ABBRYNOQCYCJTQ-ZDUSSCGKSA-N 2 1 265.401 0.646 20 30 CCEDMP C=CCO[C@@H]1CCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC001329945390 916299074 /nfs/dbraw/zinc/29/90/74/916299074.db2.gz NCBUAKUUKKDNCL-ZIAGYGMSSA-N 2 1 254.374 0.718 20 30 CCEDMP C=CCO[C@@H]1CC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC001329945390 916299087 /nfs/dbraw/zinc/29/90/87/916299087.db2.gz NCBUAKUUKKDNCL-ZIAGYGMSSA-N 2 1 254.374 0.718 20 30 CCEDMP C=CCO[C@@H]1CC[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC001329945390 916299109 /nfs/dbraw/zinc/29/91/09/916299109.db2.gz NCBUAKUUKKDNCL-ZIAGYGMSSA-N 2 1 254.374 0.718 20 30 CCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001330038037 916372992 /nfs/dbraw/zinc/37/29/92/916372992.db2.gz JOVRCTZWBJBXDS-AWEZNQCLSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CCC)C2)C1 ZINC001331975893 917774239 /nfs/dbraw/zinc/77/42/39/917774239.db2.gz KANVLAAKZVHIAG-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](CCC)C2)C1 ZINC001331975893 917774250 /nfs/dbraw/zinc/77/42/50/917774250.db2.gz KANVLAAKZVHIAG-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](CCC)C2)C1 ZINC001331975893 917774261 /nfs/dbraw/zinc/77/42/61/917774261.db2.gz KANVLAAKZVHIAG-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](CCC)C2)C1 ZINC001331975893 917774271 /nfs/dbraw/zinc/77/42/71/917774271.db2.gz KANVLAAKZVHIAG-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001335569119 920282956 /nfs/dbraw/zinc/28/29/56/920282956.db2.gz GEOWRIJYLMZIEO-OAHLLOKOSA-N 2 1 278.400 0.479 20 30 CCEDMP [NH3+]Cc1nc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2[nH]1 ZINC001341373418 922450924 /nfs/dbraw/zinc/45/09/24/922450924.db2.gz DCMSRLUPACAQBT-UHFFFAOYSA-N 2 1 297.362 0.963 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001341731141 922647331 /nfs/dbraw/zinc/64/73/31/922647331.db2.gz BYKRASHERSKHDP-QWHCGFSZSA-N 2 1 268.405 0.032 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001420177423 923371058 /nfs/dbraw/zinc/37/10/58/923371058.db2.gz XDOYHQLSTLAFMA-CMPLNLGQSA-N 2 1 289.807 0.147 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001348793179 924805728 /nfs/dbraw/zinc/80/57/28/924805728.db2.gz IIKDWUZPFCOLJG-UKRRQHHQSA-N 2 1 292.427 0.141 20 30 CCEDMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000573123630 358940381 /nfs/dbraw/zinc/94/03/81/358940381.db2.gz LQOCYUQYHYGERC-NEPJUHHUSA-N 2 1 252.362 0.466 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1=O ZINC000631891363 370741107 /nfs/dbraw/zinc/74/11/07/370741107.db2.gz YCVPTHRGPFOQNJ-RDBSUJKOSA-N 2 1 263.385 0.847 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1=O ZINC000631891363 370741113 /nfs/dbraw/zinc/74/11/13/370741113.db2.gz YCVPTHRGPFOQNJ-RDBSUJKOSA-N 2 1 263.385 0.847 20 30 CCEDMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000328898223 389143730 /nfs/dbraw/zinc/14/37/30/389143730.db2.gz DBSHKODZIYJSDZ-CYBMUJFWSA-N 2 1 277.372 0.538 20 30 CCEDMP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000328898223 389143733 /nfs/dbraw/zinc/14/37/33/389143733.db2.gz DBSHKODZIYJSDZ-CYBMUJFWSA-N 2 1 277.372 0.538 20 30 CCEDMP CN(C)C(=[NH+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)N(C)C ZINC000360573284 389200067 /nfs/dbraw/zinc/20/00/67/389200067.db2.gz PZBLMYFIZKGIHH-NEPJUHHUSA-N 2 1 254.378 0.329 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)CC1 ZINC000155188333 389317939 /nfs/dbraw/zinc/31/79/39/389317939.db2.gz YMXRXIFWWFQJQU-OKILXGFUSA-N 2 1 277.412 0.883 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N(C)Cc1ccon1 ZINC000261745812 389275303 /nfs/dbraw/zinc/27/53/03/389275303.db2.gz LGIYUDKKVJMLBG-UHFFFAOYSA-N 2 1 276.344 0.887 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccon1 ZINC000261839771 389277111 /nfs/dbraw/zinc/27/71/11/389277111.db2.gz WKKKCJFSMYIBOC-NSHDSACASA-N 2 1 265.361 0.634 20 30 CCEDMP CCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000264083043 389305744 /nfs/dbraw/zinc/30/57/44/389305744.db2.gz IAYYMSOTKOOPEH-UHFFFAOYSA-N 2 1 258.329 1.000 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(O)cc1 ZINC000264104485 389306929 /nfs/dbraw/zinc/30/69/29/389306929.db2.gz NLCYTSLNZWWWMH-UHFFFAOYSA-N 2 1 292.383 0.519 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351853578 389699425 /nfs/dbraw/zinc/69/94/25/389699425.db2.gz PCLIIDRFDKRJLR-OUAUKWLOSA-N 2 1 268.361 0.056 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351853578 389699427 /nfs/dbraw/zinc/69/94/27/389699427.db2.gz PCLIIDRFDKRJLR-OUAUKWLOSA-N 2 1 268.361 0.056 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000420295302 389979447 /nfs/dbraw/zinc/97/94/47/389979447.db2.gz VFGCUPKBAVXIAT-AVGNSLFASA-N 2 1 251.374 0.833 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000420295302 389979448 /nfs/dbraw/zinc/97/94/48/389979448.db2.gz VFGCUPKBAVXIAT-AVGNSLFASA-N 2 1 251.374 0.833 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000491553496 390114827 /nfs/dbraw/zinc/11/48/27/390114827.db2.gz AJNJMEASQUGXMT-HNNXBMFYSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000491553496 390114828 /nfs/dbraw/zinc/11/48/28/390114828.db2.gz AJNJMEASQUGXMT-HNNXBMFYSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000491553496 390114829 /nfs/dbraw/zinc/11/48/29/390114829.db2.gz AJNJMEASQUGXMT-HNNXBMFYSA-N 2 1 292.427 0.820 20 30 CCEDMP C=CC[C@]1(C(=O)NCCC[NH+]2CCN(C)CC2)CCC[NH2+]1 ZINC000662754842 414762287 /nfs/dbraw/zinc/76/22/87/414762287.db2.gz VTMUTLDEHVQJDS-MRXNPFEDSA-N 2 1 294.443 0.438 20 30 CCEDMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCCC#N)CC1 ZINC000162499304 262332286 /nfs/dbraw/zinc/33/22/86/262332286.db2.gz JWCASZOZSZJBSF-CQSZACIVSA-N 2 1 278.400 0.919 20 30 CCEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCCC#N)CC1 ZINC000162499304 262332288 /nfs/dbraw/zinc/33/22/88/262332288.db2.gz JWCASZOZSZJBSF-CQSZACIVSA-N 2 1 278.400 0.919 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000280230470 263059791 /nfs/dbraw/zinc/05/97/91/263059791.db2.gz MCNZTUSOXLXCQV-UHFFFAOYSA-N 2 1 275.396 0.710 20 30 CCEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCC[N@H+]1C ZINC000356986143 266225897 /nfs/dbraw/zinc/22/58/97/266225897.db2.gz JFCLNYNYIUKSRK-ZDUSSCGKSA-N 2 1 266.389 0.775 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COCCOC)CC1 ZINC000583139301 329325814 /nfs/dbraw/zinc/32/58/14/329325814.db2.gz ZJOZOEGKTYAGLU-OAHLLOKOSA-N 2 1 286.416 0.640 20 30 CCEDMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])NCCc2cccs2)C1 ZINC000262262904 330003136 /nfs/dbraw/zinc/00/31/36/330003136.db2.gz FFOVWKVRFZRNOQ-CYBMUJFWSA-N 2 1 282.413 0.262 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1=CCCOC1 ZINC000262321528 330005980 /nfs/dbraw/zinc/00/59/80/330005980.db2.gz RMIPIXLURXMNGW-ZDUSSCGKSA-N 2 1 266.389 0.722 20 30 CCEDMP C[C@H]1CN(C(=[NH2+])N[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000262420141 330009036 /nfs/dbraw/zinc/00/90/36/330009036.db2.gz AWLJGDBLORPVTC-WDEREUQCSA-N 2 1 263.345 0.233 20 30 CCEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262454125 330014304 /nfs/dbraw/zinc/01/43/04/330014304.db2.gz KMNBWLQLQIGYAH-CHWSQXEVSA-N 2 1 268.405 0.754 20 30 CCEDMP C[NH+]=C(NCC1(O)CCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262770450 330030430 /nfs/dbraw/zinc/03/04/30/330030430.db2.gz HKLFZCKLPCZCDK-LBPRGKRZSA-N 2 1 280.416 0.693 20 30 CCEDMP C[NH+]=C(NCC1(O)CCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262770450 330030431 /nfs/dbraw/zinc/03/04/31/330030431.db2.gz HKLFZCKLPCZCDK-LBPRGKRZSA-N 2 1 280.416 0.693 20 30 CCEDMP C=CCNC(=[NH2+])NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000262816011 330033762 /nfs/dbraw/zinc/03/37/62/330033762.db2.gz WQLNRAFVOGQOCJ-UHFFFAOYSA-N 2 1 253.394 0.103 20 30 CCEDMP COCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@@H]1C ZINC000424138667 330276820 /nfs/dbraw/zinc/27/68/20/330276820.db2.gz DNTBFEZYUCBARA-QWHCGFSZSA-N 2 1 282.388 0.187 20 30 CCEDMP COCC[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@@H]1C ZINC000424138667 330276821 /nfs/dbraw/zinc/27/68/21/330276821.db2.gz DNTBFEZYUCBARA-QWHCGFSZSA-N 2 1 282.388 0.187 20 30 CCEDMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424147227 330293925 /nfs/dbraw/zinc/29/39/25/330293925.db2.gz QVSOBJQHFGSGLL-STQMWFEESA-N 2 1 282.388 0.235 20 30 CCEDMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424155234 330302023 /nfs/dbraw/zinc/30/20/23/330302023.db2.gz MOVAZMPTIQKDOS-LBPRGKRZSA-N 2 1 254.378 0.856 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)CC(C)(C)CO)CC(C)(C)CO ZINC000451247950 331021824 /nfs/dbraw/zinc/02/18/24/331021824.db2.gz CNHAUNQFGMYVHG-UHFFFAOYSA-N 2 1 284.444 0.890 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000490631265 332097574 /nfs/dbraw/zinc/09/75/74/332097574.db2.gz UNCPCBYTEGGTGJ-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000490679657 332103093 /nfs/dbraw/zinc/10/30/93/332103093.db2.gz UDPQZMRUYGMLDB-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000490761056 332113215 /nfs/dbraw/zinc/11/32/15/332113215.db2.gz RGEVQHDNBVTWDZ-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@](C)(CC)C2)CC1 ZINC000490830888 332118471 /nfs/dbraw/zinc/11/84/71/332118471.db2.gz NMEYDKKINGTNAG-INIZCTEOSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000491326909 332190909 /nfs/dbraw/zinc/19/09/09/332190909.db2.gz RIBPUOLGIBTHLZ-KBPBESRZSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000491326909 332190911 /nfs/dbraw/zinc/19/09/11/332190911.db2.gz RIBPUOLGIBTHLZ-KBPBESRZSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000491326909 332190913 /nfs/dbraw/zinc/19/09/13/332190913.db2.gz RIBPUOLGIBTHLZ-KBPBESRZSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000491535690 332231633 /nfs/dbraw/zinc/23/16/33/332231633.db2.gz DYNIQHAZEUYGSF-ZDUSSCGKSA-N 2 1 253.390 0.644 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)CCCC[NH+](C)C ZINC000491569436 332240295 /nfs/dbraw/zinc/24/02/95/332240295.db2.gz WATPJXBIJMOVJZ-UHFFFAOYSA-N 2 1 253.390 0.790 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000491698675 332293668 /nfs/dbraw/zinc/29/36/68/332293668.db2.gz IEZIFMMQMVGIHD-CABCVRRESA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000491698675 332293669 /nfs/dbraw/zinc/29/36/69/332293669.db2.gz IEZIFMMQMVGIHD-CABCVRRESA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000491698675 332293670 /nfs/dbraw/zinc/29/36/70/332293670.db2.gz IEZIFMMQMVGIHD-CABCVRRESA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000491806783 332359917 /nfs/dbraw/zinc/35/99/17/332359917.db2.gz RKYVQQSBCGSWES-CHWSQXEVSA-N 2 1 266.389 0.511 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000491809194 332361965 /nfs/dbraw/zinc/36/19/65/332361965.db2.gz XJYCBMUOCSDJKG-OLZOCXBDSA-N 2 1 266.389 0.239 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000491816221 332367136 /nfs/dbraw/zinc/36/71/36/332367136.db2.gz MUPDQXRYZPDSOQ-CYBMUJFWSA-N 2 1 283.441 0.495 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000491816221 332367137 /nfs/dbraw/zinc/36/71/37/332367137.db2.gz MUPDQXRYZPDSOQ-CYBMUJFWSA-N 2 1 283.441 0.495 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000491816221 332367138 /nfs/dbraw/zinc/36/71/38/332367138.db2.gz MUPDQXRYZPDSOQ-CYBMUJFWSA-N 2 1 283.441 0.495 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000186798194 333165321 /nfs/dbraw/zinc/16/53/21/333165321.db2.gz GJPSMCKGBHFWGN-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000194691766 333275604 /nfs/dbraw/zinc/27/56/04/333275604.db2.gz PSQIJBYJTGADTP-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(C(C)=O)CC1 ZINC000385875735 336158536 /nfs/dbraw/zinc/15/85/36/336158536.db2.gz ZQQBRQKRXYXWHJ-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(C(C)=O)CC1 ZINC000385875735 336158537 /nfs/dbraw/zinc/15/85/37/336158537.db2.gz ZQQBRQKRXYXWHJ-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CC[NH3+])C1=O ZINC000420308820 581580773 /nfs/dbraw/zinc/58/07/73/581580773.db2.gz DLHHHCYKQIHGDO-STQMWFEESA-N 2 1 251.374 0.977 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000734789052 581587778 /nfs/dbraw/zinc/58/77/78/581587778.db2.gz FJMBOMFILOBLFZ-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000734789052 581587780 /nfs/dbraw/zinc/58/77/80/581587780.db2.gz FJMBOMFILOBLFZ-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000764052929 582029749 /nfs/dbraw/zinc/02/97/49/582029749.db2.gz KHKVONNAAGIRQZ-AWEZNQCLSA-N 2 1 283.416 0.577 20 30 CCEDMP CCO[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C[NH+](C)C ZINC000905575160 615410041 /nfs/dbraw/zinc/41/00/41/615410041.db2.gz HCPUFJDOJLYUMB-OLZOCXBDSA-N 2 1 271.405 0.843 20 30 CCEDMP C#CCOCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000851860539 612984213 /nfs/dbraw/zinc/98/42/13/612984213.db2.gz KOYNAISTKJHVQR-QLFBSQMISA-N 2 1 266.385 0.820 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841909341 613076612 /nfs/dbraw/zinc/07/66/12/613076612.db2.gz CRBMZHPPVSVZJH-OLZOCXBDSA-N 2 1 266.389 0.511 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000876756579 613390587 /nfs/dbraw/zinc/39/05/87/613390587.db2.gz VNVVSWWEQIXGQE-QWRGUYRKSA-N 2 1 275.780 0.293 20 30 CCEDMP C#CCC1([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCOCC1 ZINC000887122274 612970794 /nfs/dbraw/zinc/97/07/94/612970794.db2.gz QUMGAVKFHYKBKI-CQSZACIVSA-N 2 1 266.385 0.604 20 30 CCEDMP C#CCC1([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCOCC1 ZINC000887122274 612970796 /nfs/dbraw/zinc/97/07/96/612970796.db2.gz QUMGAVKFHYKBKI-CQSZACIVSA-N 2 1 266.385 0.604 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900797544 612999047 /nfs/dbraw/zinc/99/90/47/612999047.db2.gz GMVXLIRZLBLNSJ-GOEBONIOSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944168210 613016863 /nfs/dbraw/zinc/01/68/63/613016863.db2.gz HPHBHBQYADKWGV-LSDHHAIUSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000863558154 613078281 /nfs/dbraw/zinc/07/82/81/613078281.db2.gz XHZKVZHYLQCVFV-HNNXBMFYSA-N 2 1 293.411 0.602 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000863558154 613078283 /nfs/dbraw/zinc/07/82/83/613078283.db2.gz XHZKVZHYLQCVFV-HNNXBMFYSA-N 2 1 293.411 0.602 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000850470992 613079464 /nfs/dbraw/zinc/07/94/64/613079464.db2.gz LBIOLXZQNCONCW-FRRDWIJNSA-N 2 1 252.358 0.729 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000850470992 613079466 /nfs/dbraw/zinc/07/94/66/613079466.db2.gz LBIOLXZQNCONCW-FRRDWIJNSA-N 2 1 252.358 0.729 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971551419 613091753 /nfs/dbraw/zinc/09/17/53/613091753.db2.gz JCKQXYQDDRCWIW-LSDHHAIUSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000816954324 613129600 /nfs/dbraw/zinc/12/96/00/613129600.db2.gz ZCHPOGYJDHRKJN-LSDHHAIUSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2CC)CC1 ZINC000924022479 613134352 /nfs/dbraw/zinc/13/43/52/613134352.db2.gz RQWCRSFMWJDKRU-AWEZNQCLSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[C@@H](C)[NH+](C)C)C1 ZINC000890364411 613168943 /nfs/dbraw/zinc/16/89/43/613168943.db2.gz ZOGVLPVHTKIZNM-ZIAGYGMSSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[C@@H](C)[NH+](C)C)C1 ZINC000890364411 613168945 /nfs/dbraw/zinc/16/89/45/613168945.db2.gz ZOGVLPVHTKIZNM-ZIAGYGMSSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000884204363 613169786 /nfs/dbraw/zinc/16/97/86/613169786.db2.gz UHVXXINEHBJNNS-HUUCEWRRSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000884204363 613169787 /nfs/dbraw/zinc/16/97/87/613169787.db2.gz UHVXXINEHBJNNS-HUUCEWRRSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000884204363 613169788 /nfs/dbraw/zinc/16/97/88/613169788.db2.gz UHVXXINEHBJNNS-HUUCEWRRSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000884204363 613169790 /nfs/dbraw/zinc/16/97/90/613169790.db2.gz UHVXXINEHBJNNS-HUUCEWRRSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC000923586198 613181751 /nfs/dbraw/zinc/18/17/51/613181751.db2.gz ZOSCXVCLFCYZMH-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC000923586198 613181753 /nfs/dbraw/zinc/18/17/53/613181753.db2.gz ZOSCXVCLFCYZMH-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC000923586198 613181755 /nfs/dbraw/zinc/18/17/55/613181755.db2.gz ZOSCXVCLFCYZMH-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC000923586198 613181757 /nfs/dbraw/zinc/18/17/57/613181757.db2.gz ZOSCXVCLFCYZMH-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000884206299 613187276 /nfs/dbraw/zinc/18/72/76/613187276.db2.gz REILTLFUMHOIDC-ZNMIVQPWSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000884206299 613187278 /nfs/dbraw/zinc/18/72/78/613187278.db2.gz REILTLFUMHOIDC-ZNMIVQPWSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000884206299 613187280 /nfs/dbraw/zinc/18/72/80/613187280.db2.gz REILTLFUMHOIDC-ZNMIVQPWSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000884206299 613187282 /nfs/dbraw/zinc/18/72/82/613187282.db2.gz REILTLFUMHOIDC-ZNMIVQPWSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000923553504 613190660 /nfs/dbraw/zinc/19/06/60/613190660.db2.gz JYETZTWUIGHBBH-RRFJBIMHSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000923553504 613190662 /nfs/dbraw/zinc/19/06/62/613190662.db2.gz JYETZTWUIGHBBH-RRFJBIMHSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000923553504 613190664 /nfs/dbraw/zinc/19/06/64/613190664.db2.gz JYETZTWUIGHBBH-RRFJBIMHSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000923553504 613190665 /nfs/dbraw/zinc/19/06/65/613190665.db2.gz JYETZTWUIGHBBH-RRFJBIMHSA-N 2 1 291.395 0.063 20 30 CCEDMP C[NH+]=C(NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)NC1CC1 ZINC000849001168 613219376 /nfs/dbraw/zinc/21/93/76/613219376.db2.gz CXSGBZYJYZUSIE-ZDUSSCGKSA-N 2 1 295.431 0.257 20 30 CCEDMP C[NH+]=C(NCCN1CC[N@@H+](C)C(C)(C)C1)NC1CC1 ZINC000849026509 613219607 /nfs/dbraw/zinc/21/96/07/613219607.db2.gz HDDQHFALKOXXFP-UHFFFAOYSA-N 2 1 267.421 0.340 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000947550726 613229010 /nfs/dbraw/zinc/22/90/10/613229010.db2.gz ANPGVMSWWKOFQA-TZMCWYRMSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000947550726 613229012 /nfs/dbraw/zinc/22/90/12/613229012.db2.gz ANPGVMSWWKOFQA-TZMCWYRMSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947686331 613258031 /nfs/dbraw/zinc/25/80/31/613258031.db2.gz WVHLJTJWZKEORY-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946892942 613304888 /nfs/dbraw/zinc/30/48/88/613304888.db2.gz SSRLXKFHOZIPCB-IYBDPMFKSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959921205 613316689 /nfs/dbraw/zinc/31/66/89/613316689.db2.gz MDLGFIKAPRUUMQ-BYNSBNAKSA-N 2 1 273.380 0.008 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887922773 613364482 /nfs/dbraw/zinc/36/44/82/613364482.db2.gz BNEZZSWLRCONAH-DZGCQCFKSA-N 2 1 265.401 0.904 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000854641856 613365990 /nfs/dbraw/zinc/36/59/90/613365990.db2.gz GBTLXCMFPZSRMW-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970712788 613384998 /nfs/dbraw/zinc/38/49/98/613384998.db2.gz SBRPAGRMNRAUHC-VXGBXAGGSA-N 2 1 271.792 0.881 20 30 CCEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980894678 613495787 /nfs/dbraw/zinc/49/57/87/613495787.db2.gz YCBMJMLWVALVLH-CQSZACIVSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980894678 613495791 /nfs/dbraw/zinc/49/57/91/613495791.db2.gz YCBMJMLWVALVLH-CQSZACIVSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980894678 613495795 /nfs/dbraw/zinc/49/57/95/613495795.db2.gz YCBMJMLWVALVLH-CQSZACIVSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980894678 613495797 /nfs/dbraw/zinc/49/57/97/613495797.db2.gz YCBMJMLWVALVLH-CQSZACIVSA-N 2 1 281.400 0.427 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000981957907 613548971 /nfs/dbraw/zinc/54/89/71/613548971.db2.gz ZPNSDCWEXSFDFD-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000981957907 613548974 /nfs/dbraw/zinc/54/89/74/613548974.db2.gz ZPNSDCWEXSFDFD-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000981957907 613548977 /nfs/dbraw/zinc/54/89/77/613548977.db2.gz ZPNSDCWEXSFDFD-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000981957907 613548980 /nfs/dbraw/zinc/54/89/80/613548980.db2.gz ZPNSDCWEXSFDFD-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959920551 613564230 /nfs/dbraw/zinc/56/42/30/613564230.db2.gz KMSBVHNTAISWSS-WCVJEAGWSA-N 2 1 289.423 0.951 20 30 CCEDMP CC#CC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977497861 613620201 /nfs/dbraw/zinc/62/02/01/613620201.db2.gz LNFAYYHUDSXWFY-AWEZNQCLSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000980413179 613630115 /nfs/dbraw/zinc/63/01/15/613630115.db2.gz ROQZOQUPOKLFDW-GJZGRUSLSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000960281794 613839842 /nfs/dbraw/zinc/83/98/42/613839842.db2.gz OIZGDUSQULNPHP-COMQUAJESA-N 2 1 286.379 0.993 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000960281794 613839843 /nfs/dbraw/zinc/83/98/43/613839843.db2.gz OIZGDUSQULNPHP-COMQUAJESA-N 2 1 286.379 0.993 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000959962837 613840545 /nfs/dbraw/zinc/84/05/45/613840545.db2.gz BAXUXDFQUWJUBL-VQJWOFKYSA-N 2 1 277.412 0.949 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000959962837 613840546 /nfs/dbraw/zinc/84/05/46/613840546.db2.gz BAXUXDFQUWJUBL-VQJWOFKYSA-N 2 1 277.412 0.949 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000959962837 613840547 /nfs/dbraw/zinc/84/05/47/613840547.db2.gz BAXUXDFQUWJUBL-VQJWOFKYSA-N 2 1 277.412 0.949 20 30 CCEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000857235519 614288454 /nfs/dbraw/zinc/28/84/54/614288454.db2.gz UGLVOQVXVIIBLL-RDBSUJKOSA-N 2 1 281.400 0.740 20 30 CCEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000857235519 614288455 /nfs/dbraw/zinc/28/84/55/614288455.db2.gz UGLVOQVXVIIBLL-RDBSUJKOSA-N 2 1 281.400 0.740 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)OC(C)C ZINC000104158308 615144213 /nfs/dbraw/zinc/14/42/13/615144213.db2.gz IFHHKNORECXBNG-LBPRGKRZSA-N 2 1 284.404 0.717 20 30 CCEDMP CN(CCC[N@@H+](C)C[C@H](O)CC#N)CC[NH+](C)C ZINC000930501400 615893093 /nfs/dbraw/zinc/89/30/93/615893093.db2.gz AXIIHAQJILWVHA-CYBMUJFWSA-N 2 1 256.394 0.076 20 30 CCEDMP C[N@@H+](CCOCC[NH3+])C[C@@H](O)COc1ccc(C#N)cc1 ZINC000923403420 616115667 /nfs/dbraw/zinc/11/56/67/616115667.db2.gz PNSWGIGLUKTGMN-CQSZACIVSA-N 2 1 293.367 0.205 20 30 CCEDMP C[NH+]1CCN(N=C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000814212243 616246179 /nfs/dbraw/zinc/24/61/79/616246179.db2.gz KNSJUMFXHFBTPV-UHFFFAOYSA-N 2 1 268.405 0.457 20 30 CCEDMP CN(CCO)c1ccc(C=[NH+]N2CC[NH+](C)CC2)cc1 ZINC000916248677 616246328 /nfs/dbraw/zinc/24/63/28/616246328.db2.gz IOLIPFZVQSQARC-UHFFFAOYSA-N 2 1 276.384 0.696 20 30 CCEDMP C[N@H+]1CC[C@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000877248492 616434697 /nfs/dbraw/zinc/43/46/97/616434697.db2.gz ACFRLGPUFYIJOF-GJZGRUSLSA-N 2 1 275.396 0.542 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026045559 625325275 /nfs/dbraw/zinc/32/52/75/625325275.db2.gz HWRIWCZLJOMJSD-XPABHHOTSA-N 2 1 275.396 0.254 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001026045559 625325278 /nfs/dbraw/zinc/32/52/78/625325278.db2.gz HWRIWCZLJOMJSD-XPABHHOTSA-N 2 1 275.396 0.254 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001026045559 625325280 /nfs/dbraw/zinc/32/52/80/625325280.db2.gz HWRIWCZLJOMJSD-XPABHHOTSA-N 2 1 275.396 0.254 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCC(F)F ZINC000189575665 625457075 /nfs/dbraw/zinc/45/70/75/625457075.db2.gz RVYZSDHBBHTCNQ-JTQLQIEISA-N 2 1 278.347 0.657 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC)C1 ZINC001024022322 623197614 /nfs/dbraw/zinc/19/76/14/623197614.db2.gz UHIWBWWAJKZNQZ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC)C1 ZINC001024022322 623197625 /nfs/dbraw/zinc/19/76/25/623197625.db2.gz UHIWBWWAJKZNQZ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001024376952 623301435 /nfs/dbraw/zinc/30/14/35/623301435.db2.gz FXXZKQVPKNLLMH-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001024376952 623301443 /nfs/dbraw/zinc/30/14/43/623301443.db2.gz FXXZKQVPKNLLMH-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001024376952 623301451 /nfs/dbraw/zinc/30/14/51/623301451.db2.gz FXXZKQVPKNLLMH-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024376952 623301464 /nfs/dbraw/zinc/30/14/64/623301464.db2.gz FXXZKQVPKNLLMH-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001006920329 623493315 /nfs/dbraw/zinc/49/33/15/623493315.db2.gz YCLYJOLLZGHXIY-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006920329 623493318 /nfs/dbraw/zinc/49/33/18/623493318.db2.gz YCLYJOLLZGHXIY-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006920329 623493322 /nfs/dbraw/zinc/49/33/22/623493322.db2.gz YCLYJOLLZGHXIY-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025797825 623884568 /nfs/dbraw/zinc/88/45/68/623884568.db2.gz WOKVKLDDAZYFJM-SBJFKYEJSA-N 2 1 291.395 0.082 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025797825 623884569 /nfs/dbraw/zinc/88/45/69/623884569.db2.gz WOKVKLDDAZYFJM-SBJFKYEJSA-N 2 1 291.395 0.082 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCOC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261926706 624866447 /nfs/dbraw/zinc/86/64/47/624866447.db2.gz JCZQJWAOLLQVOC-NWDGAFQWSA-N 2 1 266.389 0.425 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCOC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261926706 624866448 /nfs/dbraw/zinc/86/64/48/624866448.db2.gz JCZQJWAOLLQVOC-NWDGAFQWSA-N 2 1 266.389 0.425 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001022198053 624891831 /nfs/dbraw/zinc/89/18/31/624891831.db2.gz DNRKVCSKNNNQFC-SOUVJXGZSA-N 2 1 277.412 0.834 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001009592163 625860219 /nfs/dbraw/zinc/86/02/19/625860219.db2.gz GXFDIEGVTYKUPE-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001009592163 625860221 /nfs/dbraw/zinc/86/02/21/625860221.db2.gz GXFDIEGVTYKUPE-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009592163 625860223 /nfs/dbraw/zinc/86/02/23/625860223.db2.gz GXFDIEGVTYKUPE-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009592163 625860227 /nfs/dbraw/zinc/86/02/27/625860227.db2.gz GXFDIEGVTYKUPE-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027462621 625896540 /nfs/dbraw/zinc/89/65/40/625896540.db2.gz AAMQDRDWROVHIW-UONOGXRCSA-N 2 1 265.401 0.883 20 30 CCEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000261875189 631666340 /nfs/dbraw/zinc/66/63/40/631666340.db2.gz PRJJWVMQJAHRCY-NEPJUHHUSA-N 2 1 254.378 0.412 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000985492643 632517321 /nfs/dbraw/zinc/51/73/21/632517321.db2.gz ORAPRSXXXYDYEW-UKRRQHHQSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000985492643 632517324 /nfs/dbraw/zinc/51/73/24/632517324.db2.gz ORAPRSXXXYDYEW-UKRRQHHQSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985492643 632517331 /nfs/dbraw/zinc/51/73/31/632517331.db2.gz ORAPRSXXXYDYEW-UKRRQHHQSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985492643 632517334 /nfs/dbraw/zinc/51/73/34/632517334.db2.gz ORAPRSXXXYDYEW-UKRRQHHQSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC000986353703 632745676 /nfs/dbraw/zinc/74/56/76/632745676.db2.gz JDPQZMZHVSISNX-TZMCWYRMSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000987531089 632877399 /nfs/dbraw/zinc/87/73/99/632877399.db2.gz JWLDDPZTAUHZGN-WCQYABFASA-N 2 1 260.341 0.404 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000987534984 632878442 /nfs/dbraw/zinc/87/84/42/632878442.db2.gz XAZUIHDJGXQPBE-DGCLKSJQSA-N 2 1 262.357 0.957 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008402491 650113109 /nfs/dbraw/zinc/11/31/09/650113109.db2.gz BXZCAXXVWZJBFB-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989475545 633315246 /nfs/dbraw/zinc/31/52/46/633315246.db2.gz ZUCDWYGFEQABHH-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989475545 633315251 /nfs/dbraw/zinc/31/52/51/633315251.db2.gz ZUCDWYGFEQABHH-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000989475545 633315257 /nfs/dbraw/zinc/31/52/57/633315257.db2.gz ZUCDWYGFEQABHH-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000989475545 633315262 /nfs/dbraw/zinc/31/52/62/633315262.db2.gz ZUCDWYGFEQABHH-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989562126 633329243 /nfs/dbraw/zinc/32/92/43/633329243.db2.gz NBBNLIAXZGLDBK-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008544103 650119432 /nfs/dbraw/zinc/11/94/32/650119432.db2.gz YIZLUNRPKDJDCS-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008544103 650119434 /nfs/dbraw/zinc/11/94/34/650119434.db2.gz YIZLUNRPKDJDCS-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001008544103 650119436 /nfs/dbraw/zinc/11/94/36/650119436.db2.gz YIZLUNRPKDJDCS-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008544103 650119437 /nfs/dbraw/zinc/11/94/37/650119437.db2.gz YIZLUNRPKDJDCS-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001009203480 650139938 /nfs/dbraw/zinc/13/99/38/650139938.db2.gz RKHYSTITVUEAMW-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009211234 650139977 /nfs/dbraw/zinc/13/99/77/650139977.db2.gz BBBOCMIOIZNMPZ-AWEZNQCLSA-N 2 1 275.396 0.686 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009211234 650139979 /nfs/dbraw/zinc/13/99/79/650139979.db2.gz BBBOCMIOIZNMPZ-AWEZNQCLSA-N 2 1 275.396 0.686 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009226243 650140757 /nfs/dbraw/zinc/14/07/57/650140757.db2.gz PDAJLSCQDXSQTG-ZDUSSCGKSA-N 2 1 263.385 0.849 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992483771 637447862 /nfs/dbraw/zinc/44/78/62/637447862.db2.gz ZDIZMUAWHAANPY-GOEBONIOSA-N 2 1 286.379 0.938 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992483771 637447865 /nfs/dbraw/zinc/44/78/65/637447865.db2.gz ZDIZMUAWHAANPY-GOEBONIOSA-N 2 1 286.379 0.938 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992483774 637448545 /nfs/dbraw/zinc/44/85/45/637448545.db2.gz ZDIZMUAWHAANPY-HOCLYGCPSA-N 2 1 286.379 0.938 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992483774 637448547 /nfs/dbraw/zinc/44/85/47/637448547.db2.gz ZDIZMUAWHAANPY-HOCLYGCPSA-N 2 1 286.379 0.938 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996516911 638821304 /nfs/dbraw/zinc/82/13/04/638821304.db2.gz CIYCSKMLBOBEAY-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000996617536 638824854 /nfs/dbraw/zinc/82/48/54/638824854.db2.gz BQTKWSFQLDUULG-CABCVRRESA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999405768 638980473 /nfs/dbraw/zinc/98/04/73/638980473.db2.gz HWCOLIOGHIXUJJ-IYXRBSQSSA-N 2 1 263.385 0.683 20 30 CCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001151679 639248301 /nfs/dbraw/zinc/24/83/01/639248301.db2.gz OAGRQZSOYBDHBT-ZBFHGGJFSA-N 2 1 289.423 0.956 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001151679 639248304 /nfs/dbraw/zinc/24/83/04/639248304.db2.gz OAGRQZSOYBDHBT-ZBFHGGJFSA-N 2 1 289.423 0.956 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001151679 639248307 /nfs/dbraw/zinc/24/83/07/639248307.db2.gz OAGRQZSOYBDHBT-ZBFHGGJFSA-N 2 1 289.423 0.956 20 30 CCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001001451899 639304617 /nfs/dbraw/zinc/30/46/17/639304617.db2.gz OOGBADSUDMKCDY-CQSZACIVSA-N 2 1 263.385 0.872 20 30 CCEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001001451899 639304623 /nfs/dbraw/zinc/30/46/23/639304623.db2.gz OOGBADSUDMKCDY-CQSZACIVSA-N 2 1 263.385 0.872 20 30 CCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001001451899 639304633 /nfs/dbraw/zinc/30/46/33/639304633.db2.gz OOGBADSUDMKCDY-CQSZACIVSA-N 2 1 263.385 0.872 20 30 CCEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002118718 639369738 /nfs/dbraw/zinc/36/97/38/639369738.db2.gz SASDJQBRAKMLCL-AWEZNQCLSA-N 2 1 265.401 0.952 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014918921 650502719 /nfs/dbraw/zinc/50/27/19/650502719.db2.gz CEOVKQOUDJBWEZ-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014918921 650502720 /nfs/dbraw/zinc/50/27/20/650502720.db2.gz CEOVKQOUDJBWEZ-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014918921 650502721 /nfs/dbraw/zinc/50/27/21/650502721.db2.gz CEOVKQOUDJBWEZ-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014918921 650502722 /nfs/dbraw/zinc/50/27/22/650502722.db2.gz CEOVKQOUDJBWEZ-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001015708698 650613824 /nfs/dbraw/zinc/61/38/24/650613824.db2.gz JTJDZUSTOGCNJF-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015708698 650613825 /nfs/dbraw/zinc/61/38/25/650613825.db2.gz JTJDZUSTOGCNJF-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015708698 650613826 /nfs/dbraw/zinc/61/38/26/650613826.db2.gz JTJDZUSTOGCNJF-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001015702070 650611515 /nfs/dbraw/zinc/61/15/15/650611515.db2.gz LLYRSENFZHUQSG-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015702070 650611519 /nfs/dbraw/zinc/61/15/19/650611519.db2.gz LLYRSENFZHUQSG-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015702070 650611521 /nfs/dbraw/zinc/61/15/21/650611521.db2.gz LLYRSENFZHUQSG-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001016302253 650714480 /nfs/dbraw/zinc/71/44/80/650714480.db2.gz KIKDWKIUTCWADD-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001016302253 650714483 /nfs/dbraw/zinc/71/44/83/650714483.db2.gz KIKDWKIUTCWADD-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016302253 650714486 /nfs/dbraw/zinc/71/44/86/650714486.db2.gz KIKDWKIUTCWADD-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016302253 650714490 /nfs/dbraw/zinc/71/44/90/650714490.db2.gz KIKDWKIUTCWADD-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016969158 650775078 /nfs/dbraw/zinc/77/50/78/650775078.db2.gz JWEACOOOAVRITB-ZIAGYGMSSA-N 2 1 275.396 0.542 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001018180827 650847093 /nfs/dbraw/zinc/84/70/93/650847093.db2.gz FASAISYYSVUTIL-OKILXGFUSA-N 2 1 275.396 0.943 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001018180827 650847096 /nfs/dbraw/zinc/84/70/96/650847096.db2.gz FASAISYYSVUTIL-OKILXGFUSA-N 2 1 275.396 0.943 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)NCC[NH+]1CCSCC1 ZINC000852858452 644026626 /nfs/dbraw/zinc/02/66/26/644026626.db2.gz AFWDUZYJPRCZEP-UHFFFAOYSA-N 2 1 281.425 0.154 20 30 CCEDMP C[C@H]1C[C@H](N(C)C(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1C ZINC000852870432 644034540 /nfs/dbraw/zinc/03/45/40/644034540.db2.gz OGLGDLJMKZZDLJ-DZGCQCFKSA-N 2 1 277.412 0.931 20 30 CCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852872818 644035350 /nfs/dbraw/zinc/03/53/50/644035350.db2.gz RRIBZQIXVUADQJ-IUODEOHRSA-N 2 1 275.396 0.588 20 30 CCEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000852875331 644036331 /nfs/dbraw/zinc/03/63/31/644036331.db2.gz IKTFRJATJQSAEQ-HFKOZYHYSA-N 2 1 280.278 0.192 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000863550860 645106930 /nfs/dbraw/zinc/10/69/30/645106930.db2.gz DHQGSHHQRAZDOZ-MELADBBJSA-N 2 1 279.384 0.494 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000863550860 645106935 /nfs/dbraw/zinc/10/69/35/645106935.db2.gz DHQGSHHQRAZDOZ-MELADBBJSA-N 2 1 279.384 0.494 20 30 CCEDMP CC(C)CNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303885475 649826250 /nfs/dbraw/zinc/82/62/50/649826250.db2.gz NFGGHKPECVIGOU-CYBMUJFWSA-N 2 1 269.437 0.430 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000303897708 649826674 /nfs/dbraw/zinc/82/66/74/649826674.db2.gz QUTDZGFQXJWHHN-RYUDHWBXSA-N 2 1 256.394 0.658 20 30 CCEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000304013771 649828738 /nfs/dbraw/zinc/82/87/38/649828738.db2.gz CBJXRSKLZTZYNF-QWHCGFSZSA-N 2 1 268.405 0.944 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266284582 790402549 /nfs/dbraw/zinc/40/25/49/790402549.db2.gz HIBHKVHOCUSCKO-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266284582 790402553 /nfs/dbraw/zinc/40/25/53/790402553.db2.gz HIBHKVHOCUSCKO-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001266284582 790402559 /nfs/dbraw/zinc/40/25/59/790402559.db2.gz HIBHKVHOCUSCKO-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266288910 790423137 /nfs/dbraw/zinc/42/31/37/790423137.db2.gz UFRQLXBIRKTBND-UHFFFAOYSA-N 2 1 277.412 0.934 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001266412457 790655836 /nfs/dbraw/zinc/65/58/36/790655836.db2.gz UCLGQXQSJPNDPD-CABCVRRESA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001266441654 790716685 /nfs/dbraw/zinc/71/66/85/790716685.db2.gz JLVFTOSXHRDTFP-ZDUSSCGKSA-N 2 1 260.341 0.309 20 30 CCEDMP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001266950308 791385680 /nfs/dbraw/zinc/38/56/80/791385680.db2.gz TZXWMFAOBBTQDV-KBPBESRZSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267068780 791495839 /nfs/dbraw/zinc/49/58/39/791495839.db2.gz ITVJQGCMMLZACI-KBPBESRZSA-N 2 1 263.385 0.400 20 30 CCEDMP C[NH+](C)CCN1C[C@@H]2C[N@H+](CCCCC#N)C[C@H](C1)O2 ZINC001277951528 806444439 /nfs/dbraw/zinc/44/44/39/806444439.db2.gz KXZLCYGHBDKOPH-GASCZTMLSA-N 2 1 280.416 0.627 20 30 CCEDMP C=CCN(CC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+])C(=O)OCC ZINC001235993384 806524054 /nfs/dbraw/zinc/52/40/54/806524054.db2.gz NFGGPZBTJVDVRC-PBWFPOADSA-N 2 1 297.399 0.536 20 30 CCEDMP C=CCN(CC[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+])C(=O)OCC ZINC001235993384 806524055 /nfs/dbraw/zinc/52/40/55/806524055.db2.gz NFGGPZBTJVDVRC-PBWFPOADSA-N 2 1 297.399 0.536 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001121293298 799027359 /nfs/dbraw/zinc/02/73/59/799027359.db2.gz ZFNTXTSOKZEKJW-ARFHVFGLSA-N 2 1 289.423 0.788 20 30 CCEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001124835589 799639273 /nfs/dbraw/zinc/63/92/73/799639273.db2.gz BHGZLTSQQQDSDW-HNNXBMFYSA-N 2 1 286.379 0.858 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC001138309022 799717600 /nfs/dbraw/zinc/71/76/00/799717600.db2.gz IYZDKWQEUOJSLB-UHFFFAOYSA-N 2 1 296.459 0.637 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881998 800304267 /nfs/dbraw/zinc/30/42/67/800304267.db2.gz WAJDRHFELCAISE-GJZGRUSLSA-N 2 1 297.443 0.966 20 30 CCEDMP N#Cc1ncc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)nc1C#N ZINC001155381999 800962069 /nfs/dbraw/zinc/96/20/69/800962069.db2.gz JTXLVSZUYPKNKT-LBPRGKRZSA-N 2 1 297.366 0.079 20 30 CCEDMP N#Cc1c[nH]c2cc[nH+]c(NC[C@@]34C[NH2+][C@@H](CO3)C4)c12 ZINC001155543686 801003065 /nfs/dbraw/zinc/00/30/65/801003065.db2.gz NLDUJSFNNHYOLO-QMTHXVAHSA-N 2 1 269.308 0.977 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156383005 801159304 /nfs/dbraw/zinc/15/93/04/801159304.db2.gz GEYBPXXONHULLX-CYBMUJFWSA-N 2 1 269.389 0.024 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156882732 801253624 /nfs/dbraw/zinc/25/36/24/801253624.db2.gz KTUALQDWJRBBEQ-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156882732 801253626 /nfs/dbraw/zinc/25/36/26/801253626.db2.gz KTUALQDWJRBBEQ-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156882732 801253628 /nfs/dbraw/zinc/25/36/28/801253628.db2.gz KTUALQDWJRBBEQ-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158505657 801660473 /nfs/dbraw/zinc/66/04/73/801660473.db2.gz FFLOPXXWNAMOJC-KGLIPLIRSA-N 2 1 281.400 0.522 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCF ZINC001160197785 801919267 /nfs/dbraw/zinc/91/92/67/801919267.db2.gz GMFCEERQRSIXAD-LBPRGKRZSA-N 2 1 255.337 0.149 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCF ZINC001160197785 801919271 /nfs/dbraw/zinc/91/92/71/801919271.db2.gz GMFCEERQRSIXAD-LBPRGKRZSA-N 2 1 255.337 0.149 20 30 CCEDMP N#Cc1ccc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)nc1 ZINC001160508139 801953109 /nfs/dbraw/zinc/95/31/09/801953109.db2.gz DHRQTLWBTKEDNK-CQSZACIVSA-N 2 1 257.341 0.788 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161052203 802077050 /nfs/dbraw/zinc/07/70/50/802077050.db2.gz JEQWJWMPSQBMAV-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161088475 802087527 /nfs/dbraw/zinc/08/75/27/802087527.db2.gz ASSYXWQAXUFFDK-UHFFFAOYSA-N 2 1 263.385 0.710 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001166202730 802893268 /nfs/dbraw/zinc/89/32/68/802893268.db2.gz YXSMDEVZOGRXAH-UHFFFAOYSA-N 2 1 274.368 0.701 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166690417 802938766 /nfs/dbraw/zinc/93/87/66/802938766.db2.gz ABSSRTMERNRSKF-STQMWFEESA-N 2 1 251.374 0.303 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203641697 803040218 /nfs/dbraw/zinc/04/02/18/803040218.db2.gz UJAPCALBCFSQMZ-KGLIPLIRSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CCn1cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cn1 ZINC001205231483 803129780 /nfs/dbraw/zinc/12/97/80/803129780.db2.gz YLKFRSZGDQIKCC-AWEZNQCLSA-N 2 1 264.373 0.745 20 30 CCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028995792 813734962 /nfs/dbraw/zinc/73/49/62/813734962.db2.gz URSXQCQQJKXZTG-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028995792 813734967 /nfs/dbraw/zinc/73/49/67/813734967.db2.gz URSXQCQQJKXZTG-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028995792 813734973 /nfs/dbraw/zinc/73/49/73/813734973.db2.gz URSXQCQQJKXZTG-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028995792 813734979 /nfs/dbraw/zinc/73/49/79/813734979.db2.gz URSXQCQQJKXZTG-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP N#Cc1ccc2[nH]cc(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206519104 803258215 /nfs/dbraw/zinc/25/82/15/803258215.db2.gz IRZBYATUVDPBMO-NHYWBVRUSA-N 2 1 270.336 0.791 20 30 CCEDMP N#Cc1ccc2[nH]cc(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206519104 803258217 /nfs/dbraw/zinc/25/82/17/803258217.db2.gz IRZBYATUVDPBMO-NHYWBVRUSA-N 2 1 270.336 0.791 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207735084 803443907 /nfs/dbraw/zinc/44/39/07/803443907.db2.gz VNNMXWBVKLIWNS-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207735084 803443913 /nfs/dbraw/zinc/44/39/13/803443913.db2.gz VNNMXWBVKLIWNS-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208435021 803514847 /nfs/dbraw/zinc/51/48/47/803514847.db2.gz OJUITNXDFSNINK-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001276641331 803605552 /nfs/dbraw/zinc/60/55/52/803605552.db2.gz LNIHKNGEKSPXJF-LSDHHAIUSA-N 2 1 293.411 0.215 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211282812 803675372 /nfs/dbraw/zinc/67/53/72/803675372.db2.gz CMPAOHNGYKAGCD-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001276707350 803709457 /nfs/dbraw/zinc/70/94/57/803709457.db2.gz FNAILVLWIPKDRT-LVQVYYBASA-N 2 1 291.439 0.890 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214336086 803734871 /nfs/dbraw/zinc/73/48/71/803734871.db2.gz TYCXXXUSTMMLKA-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001229633972 814974244 /nfs/dbraw/zinc/97/42/44/814974244.db2.gz NHTSLDSILPABEZ-UHFFFAOYSA-N 2 1 293.411 0.313 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276627 804557912 /nfs/dbraw/zinc/55/79/12/804557912.db2.gz FYABLSATOVQVFR-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001220332801 804576373 /nfs/dbraw/zinc/57/63/73/804576373.db2.gz PRUDBLGHHOQELZ-OCCSQVGLSA-N 2 1 251.374 0.574 20 30 CCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272168592 815035752 /nfs/dbraw/zinc/03/57/52/815035752.db2.gz LHXHMOLTLBPNDS-ZIAGYGMSSA-N 2 1 283.416 0.313 20 30 CCEDMP C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001272172224 815036310 /nfs/dbraw/zinc/03/63/10/815036310.db2.gz MBYNPFVBCCZWDL-CYBMUJFWSA-N 2 1 253.390 0.904 20 30 CCEDMP C=CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001272172224 815036317 /nfs/dbraw/zinc/03/63/17/815036317.db2.gz MBYNPFVBCCZWDL-CYBMUJFWSA-N 2 1 253.390 0.904 20 30 CCEDMP C=CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001272172224 815036320 /nfs/dbraw/zinc/03/63/20/815036320.db2.gz MBYNPFVBCCZWDL-CYBMUJFWSA-N 2 1 253.390 0.904 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223429870 804971285 /nfs/dbraw/zinc/97/12/85/804971285.db2.gz CVLRGUQUUPNDPC-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH2+]C1(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001277234089 805384922 /nfs/dbraw/zinc/38/49/22/805384922.db2.gz QVXORHOUBYOZRA-UHFFFAOYSA-N 2 1 251.374 0.590 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)C=C ZINC001246001882 807111361 /nfs/dbraw/zinc/11/13/61/807111361.db2.gz PJKBZGIJYPXAJX-NEPJUHHUSA-N 2 1 256.346 0.350 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246021449 807120712 /nfs/dbraw/zinc/12/07/12/807120712.db2.gz MOXLXMJVUCQPAI-UONOGXRCSA-N 2 1 254.374 0.448 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246022933 807122387 /nfs/dbraw/zinc/12/23/87/807122387.db2.gz RACFIZQQWLRHNI-CHWSQXEVSA-N 2 1 260.353 0.703 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001246059680 807137441 /nfs/dbraw/zinc/13/74/41/807137441.db2.gz LSSWLWBHYPDHTK-MCIONIFRSA-N 2 1 252.358 0.071 20 30 CCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001278608691 807620481 /nfs/dbraw/zinc/62/04/81/807620481.db2.gz OYOABMIDCXOJDI-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001251708156 807696847 /nfs/dbraw/zinc/69/68/47/807696847.db2.gz LXNRWXUDCRHCCP-AWEZNQCLSA-N 2 1 278.400 0.431 20 30 CCEDMP C#CCOC[C@@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001251847632 807717975 /nfs/dbraw/zinc/71/79/75/807717975.db2.gz JQVUUQPIJZNNHC-AWEZNQCLSA-N 2 1 254.374 0.413 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001251847632 807717970 /nfs/dbraw/zinc/71/79/70/807717970.db2.gz JQVUUQPIJZNNHC-AWEZNQCLSA-N 2 1 254.374 0.413 20 30 CCEDMP C#CCOC[C@@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001251858358 807725263 /nfs/dbraw/zinc/72/52/63/807725263.db2.gz WKBHFVOWGHSNGY-GJZGRUSLSA-N 2 1 290.363 0.854 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001251858358 807725266 /nfs/dbraw/zinc/72/52/66/807725266.db2.gz WKBHFVOWGHSNGY-GJZGRUSLSA-N 2 1 290.363 0.854 20 30 CCEDMP C#CCOC[C@H](O)C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001251881627 807732208 /nfs/dbraw/zinc/73/22/08/807732208.db2.gz YNNCOLTXZIRDBX-OWCLPIDISA-N 2 1 282.428 0.955 20 30 CCEDMP C=C[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001253586175 808093289 /nfs/dbraw/zinc/09/32/89/808093289.db2.gz HSCRQUYAHOLSKX-UKRRQHHQSA-N 2 1 296.411 0.883 20 30 CCEDMP C=C[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001253586175 808093301 /nfs/dbraw/zinc/09/33/01/808093301.db2.gz HSCRQUYAHOLSKX-UKRRQHHQSA-N 2 1 296.411 0.883 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(C)C ZINC001278767830 808196128 /nfs/dbraw/zinc/19/61/28/808196128.db2.gz LFGBZMHGWBHWJM-CABCVRRESA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(C)C ZINC001278767830 808196132 /nfs/dbraw/zinc/19/61/32/808196132.db2.gz LFGBZMHGWBHWJM-CABCVRRESA-N 2 1 295.427 0.149 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522144 815205385 /nfs/dbraw/zinc/20/53/85/815205385.db2.gz VFTCSTIHEPONOF-KFWWJZLASA-N 2 1 295.427 0.312 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522144 815205388 /nfs/dbraw/zinc/20/53/88/815205388.db2.gz VFTCSTIHEPONOF-KFWWJZLASA-N 2 1 295.427 0.312 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522144 815205391 /nfs/dbraw/zinc/20/53/91/815205391.db2.gz VFTCSTIHEPONOF-KFWWJZLASA-N 2 1 295.427 0.312 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522144 815205396 /nfs/dbraw/zinc/20/53/96/815205396.db2.gz VFTCSTIHEPONOF-KFWWJZLASA-N 2 1 295.427 0.312 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001076045895 815237411 /nfs/dbraw/zinc/23/74/11/815237411.db2.gz WHQGOWNNLBELRK-UONOGXRCSA-N 2 1 272.352 0.357 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001076045895 815237417 /nfs/dbraw/zinc/23/74/17/815237417.db2.gz WHQGOWNNLBELRK-UONOGXRCSA-N 2 1 272.352 0.357 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC001076105401 815244588 /nfs/dbraw/zinc/24/45/88/815244588.db2.gz GDLNFRDOBHZKKV-UONOGXRCSA-N 2 1 272.352 0.439 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001263817278 809576714 /nfs/dbraw/zinc/57/67/14/809576714.db2.gz RPFFZSNFDZPGDS-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001263817278 809576718 /nfs/dbraw/zinc/57/67/18/809576718.db2.gz RPFFZSNFDZPGDS-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001263817278 809576724 /nfs/dbraw/zinc/57/67/24/809576724.db2.gz RPFFZSNFDZPGDS-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001263817278 809576728 /nfs/dbraw/zinc/57/67/28/809576728.db2.gz RPFFZSNFDZPGDS-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001265289804 809748753 /nfs/dbraw/zinc/74/87/53/809748753.db2.gz CWVBHMNUJAUTMO-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001265289804 809748761 /nfs/dbraw/zinc/74/87/61/809748761.db2.gz CWVBHMNUJAUTMO-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001265289804 809748766 /nfs/dbraw/zinc/74/87/66/809748766.db2.gz CWVBHMNUJAUTMO-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001265289804 809748771 /nfs/dbraw/zinc/74/87/71/809748771.db2.gz CWVBHMNUJAUTMO-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266119685 809939022 /nfs/dbraw/zinc/93/90/22/809939022.db2.gz KCADCIHFBLJBJP-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266119685 809939029 /nfs/dbraw/zinc/93/90/29/809939029.db2.gz KCADCIHFBLJBJP-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266119685 809939035 /nfs/dbraw/zinc/93/90/35/809939035.db2.gz KCADCIHFBLJBJP-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038267346 811108968 /nfs/dbraw/zinc/10/89/68/811108968.db2.gz UHWXUVATMNGCEU-CYBMUJFWSA-N 2 1 291.399 0.435 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038267346 811108981 /nfs/dbraw/zinc/10/89/81/811108981.db2.gz UHWXUVATMNGCEU-CYBMUJFWSA-N 2 1 291.399 0.435 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267768708 811764559 /nfs/dbraw/zinc/76/45/59/811764559.db2.gz RPFVXIRONZJUEE-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267768708 811764563 /nfs/dbraw/zinc/76/45/63/811764563.db2.gz RPFVXIRONZJUEE-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267768708 811764568 /nfs/dbraw/zinc/76/45/68/811764568.db2.gz RPFVXIRONZJUEE-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000709482043 811908378 /nfs/dbraw/zinc/90/83/78/811908378.db2.gz LIXYGVOPRSXGTR-AGIUHOORSA-N 2 1 264.373 0.751 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267999945 811936733 /nfs/dbraw/zinc/93/67/33/811936733.db2.gz GBGDFULTMRTCMT-OLZOCXBDSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027884020 812116347 /nfs/dbraw/zinc/11/63/47/812116347.db2.gz FQRVCZCFFGTTLE-GJZGRUSLSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886845 812119332 /nfs/dbraw/zinc/11/93/32/812119332.db2.gz YPKQAKBWELMILV-HZPDHXFCSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886854 812119432 /nfs/dbraw/zinc/11/94/32/812119432.db2.gz YTGCHCOFZATHOH-JKSUJKDBSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075613795 812402960 /nfs/dbraw/zinc/40/29/60/812402960.db2.gz PYXIOWAPHABNRJ-BFHYXJOUSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075613795 812402963 /nfs/dbraw/zinc/40/29/63/812402963.db2.gz PYXIOWAPHABNRJ-BFHYXJOUSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075613795 812402969 /nfs/dbraw/zinc/40/29/69/812402969.db2.gz PYXIOWAPHABNRJ-BFHYXJOUSA-N 2 1 263.385 0.799 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028267920 812534423 /nfs/dbraw/zinc/53/44/23/812534423.db2.gz OPBCKWVBNYSASY-AWEZNQCLSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CCC[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268590006 812877450 /nfs/dbraw/zinc/87/74/50/812877450.db2.gz BOARTECLLBRZPG-GEXIGZQTSA-N 2 1 263.385 0.614 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001268760436 813071817 /nfs/dbraw/zinc/07/18/17/813071817.db2.gz UWQKWRHWZOJTSQ-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001269320359 813323632 /nfs/dbraw/zinc/32/36/32/813323632.db2.gz BBGHFSWBZIOAIA-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001269320359 813323640 /nfs/dbraw/zinc/32/36/40/813323640.db2.gz BBGHFSWBZIOAIA-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001270303809 813714609 /nfs/dbraw/zinc/71/46/09/813714609.db2.gz JUTNQBDUYXUOBX-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC ZINC001087829443 814226419 /nfs/dbraw/zinc/22/64/19/814226419.db2.gz CJPRHTXCYCOEJP-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC ZINC001087829443 814226421 /nfs/dbraw/zinc/22/64/21/814226421.db2.gz CJPRHTXCYCOEJP-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001030348625 815987868 /nfs/dbraw/zinc/98/78/68/815987868.db2.gz VMELLMCVOBKDGU-ZIAGYGMSSA-N 2 1 279.384 0.226 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030348625 815987872 /nfs/dbraw/zinc/98/78/72/815987872.db2.gz VMELLMCVOBKDGU-ZIAGYGMSSA-N 2 1 279.384 0.226 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980906 816201853 /nfs/dbraw/zinc/20/18/53/816201853.db2.gz WCFAUQLJIGOMLW-RDBSUJKOSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001088980906 816201857 /nfs/dbraw/zinc/20/18/57/816201857.db2.gz WCFAUQLJIGOMLW-RDBSUJKOSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001088980906 816201859 /nfs/dbraw/zinc/20/18/59/816201859.db2.gz WCFAUQLJIGOMLW-RDBSUJKOSA-N 2 1 263.385 0.540 20 30 CCEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001121931746 816487203 /nfs/dbraw/zinc/48/72/03/816487203.db2.gz ROBBYELPWJZWIE-QJPTWQEYSA-N 2 1 250.346 0.087 20 30 CCEDMP C#CCN1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001031712197 817274884 /nfs/dbraw/zinc/27/48/84/817274884.db2.gz RVLVRHCGSQOGND-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001031712197 817274894 /nfs/dbraw/zinc/27/48/94/817274894.db2.gz RVLVRHCGSQOGND-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001031712197 817274900 /nfs/dbraw/zinc/27/49/00/817274900.db2.gz RVLVRHCGSQOGND-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031801830 817376918 /nfs/dbraw/zinc/37/69/18/817376918.db2.gz KGVZEPHHMWMJMR-HNNXBMFYSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031801830 817376926 /nfs/dbraw/zinc/37/69/26/817376926.db2.gz KGVZEPHHMWMJMR-HNNXBMFYSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976509 817514248 /nfs/dbraw/zinc/51/42/48/817514248.db2.gz NHEPTMXXKNMUOI-OCCSQVGLSA-N 2 1 263.385 0.255 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976129 817514478 /nfs/dbraw/zinc/51/44/78/817514478.db2.gz FVVCPYRIYVNYGC-GXTWGEPZSA-N 2 1 265.401 0.808 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001032094785 817622639 /nfs/dbraw/zinc/62/26/39/817622639.db2.gz NYZQKEBFIUUNER-UHFFFAOYSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781438 817685476 /nfs/dbraw/zinc/68/54/76/817685476.db2.gz HWIULBYEJYYAFG-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cnc2C)C1 ZINC001047611780 817794238 /nfs/dbraw/zinc/79/42/38/817794238.db2.gz ITOXTQQAQXBNPJ-KBPBESRZSA-N 2 1 292.383 0.340 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032960317 818389219 /nfs/dbraw/zinc/38/92/19/818389219.db2.gz QWEGQXUAGLQDJK-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C=CCN1C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030169 818488476 /nfs/dbraw/zinc/48/84/76/818488476.db2.gz LVQZOJWQBWUAPK-MRXNPFEDSA-N 2 1 293.411 0.475 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033081325 818497153 /nfs/dbraw/zinc/49/71/53/818497153.db2.gz MDWARUPALPFLFJ-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033081321 818497445 /nfs/dbraw/zinc/49/74/45/818497445.db2.gz MDWARUPALPFLFJ-HOTGVXAUSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033196705 818636139 /nfs/dbraw/zinc/63/61/39/818636139.db2.gz FHXFFGGIISCELV-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033196705 818636146 /nfs/dbraw/zinc/63/61/46/818636146.db2.gz FHXFFGGIISCELV-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033196705 818636153 /nfs/dbraw/zinc/63/61/53/818636153.db2.gz FHXFFGGIISCELV-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033196705 818636158 /nfs/dbraw/zinc/63/61/58/818636158.db2.gz FHXFFGGIISCELV-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592074 818843738 /nfs/dbraw/zinc/84/37/38/818843738.db2.gz FOPRRSQKMIXFBE-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001033788863 818934528 /nfs/dbraw/zinc/93/45/28/818934528.db2.gz KPENPZMAYOWZRV-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001033788862 818934565 /nfs/dbraw/zinc/93/45/65/818934565.db2.gz KPENPZMAYOWZRV-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034039099 819038030 /nfs/dbraw/zinc/03/80/30/819038030.db2.gz FYJPUAWFIVHKHE-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034039099 819038035 /nfs/dbraw/zinc/03/80/35/819038035.db2.gz FYJPUAWFIVHKHE-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034040929 819041462 /nfs/dbraw/zinc/04/14/62/819041462.db2.gz ZVXZBOFZRXJNKI-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034040929 819041464 /nfs/dbraw/zinc/04/14/64/819041464.db2.gz ZVXZBOFZRXJNKI-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034040929 819041473 /nfs/dbraw/zinc/04/14/73/819041473.db2.gz ZVXZBOFZRXJNKI-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001034048250 819044137 /nfs/dbraw/zinc/04/41/37/819044137.db2.gz NPKDPHGRWHGTIP-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001034048250 819044143 /nfs/dbraw/zinc/04/41/43/819044143.db2.gz NPKDPHGRWHGTIP-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035492575 819547828 /nfs/dbraw/zinc/54/78/28/819547828.db2.gz NULDORZTPRFDSG-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035492575 819547831 /nfs/dbraw/zinc/54/78/31/819547831.db2.gz NULDORZTPRFDSG-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079709214 820455561 /nfs/dbraw/zinc/45/55/61/820455561.db2.gz SZHUBJCFUNZELE-VHDGCEQUSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080943145 820658416 /nfs/dbraw/zinc/65/84/16/820658416.db2.gz RMCYACMFHCCBER-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080943145 820658424 /nfs/dbraw/zinc/65/84/24/820658424.db2.gz RMCYACMFHCCBER-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326415 820938228 /nfs/dbraw/zinc/93/82/28/820938228.db2.gz BWMJUCCPDRUNHA-RRFJBIMHSA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326415 820938232 /nfs/dbraw/zinc/93/82/32/820938232.db2.gz BWMJUCCPDRUNHA-RRFJBIMHSA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326415 820938239 /nfs/dbraw/zinc/93/82/39/820938239.db2.gz BWMJUCCPDRUNHA-RRFJBIMHSA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326415 820938245 /nfs/dbraw/zinc/93/82/45/820938245.db2.gz BWMJUCCPDRUNHA-RRFJBIMHSA-N 2 1 293.411 0.167 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083119722 821136819 /nfs/dbraw/zinc/13/68/19/821136819.db2.gz HUXMKRXWSWKKQK-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083119722 821136825 /nfs/dbraw/zinc/13/68/25/821136825.db2.gz HUXMKRXWSWKKQK-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053810 821189834 /nfs/dbraw/zinc/18/98/34/821189834.db2.gz LUCPXCIYGUMVNH-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053810 821189841 /nfs/dbraw/zinc/18/98/41/821189841.db2.gz LUCPXCIYGUMVNH-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053810 821189846 /nfs/dbraw/zinc/18/98/46/821189846.db2.gz LUCPXCIYGUMVNH-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001084866058 821415481 /nfs/dbraw/zinc/41/54/81/821415481.db2.gz XNAFJGUBNJYRBD-CHWSQXEVSA-N 2 1 260.341 0.602 20 30 CCEDMP C=CCN1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001084866058 821415483 /nfs/dbraw/zinc/41/54/83/821415483.db2.gz XNAFJGUBNJYRBD-CHWSQXEVSA-N 2 1 260.341 0.602 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598982 821842603 /nfs/dbraw/zinc/84/26/03/821842603.db2.gz FMKVSSVGBWNJBI-CABCVRRESA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598982 821842612 /nfs/dbraw/zinc/84/26/12/821842612.db2.gz FMKVSSVGBWNJBI-CABCVRRESA-N 2 1 275.396 0.494 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085671521 821889356 /nfs/dbraw/zinc/88/93/56/821889356.db2.gz ZHXKBSLGCYICAJ-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085671521 821889365 /nfs/dbraw/zinc/88/93/65/821889365.db2.gz ZHXKBSLGCYICAJ-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671521 821889378 /nfs/dbraw/zinc/88/93/78/821889378.db2.gz ZHXKBSLGCYICAJ-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671521 821889389 /nfs/dbraw/zinc/88/93/89/821889389.db2.gz ZHXKBSLGCYICAJ-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799536 821959917 /nfs/dbraw/zinc/95/99/17/821959917.db2.gz SYJZBZWUTJFEQF-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799536 821959919 /nfs/dbraw/zinc/95/99/19/821959919.db2.gz SYJZBZWUTJFEQF-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100009540 822019458 /nfs/dbraw/zinc/01/94/58/822019458.db2.gz ZXADPQHESUCAFF-ZIAGYGMSSA-N 2 1 297.443 0.702 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100009540 822019466 /nfs/dbraw/zinc/01/94/66/822019466.db2.gz ZXADPQHESUCAFF-ZIAGYGMSSA-N 2 1 297.443 0.702 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100009540 822019474 /nfs/dbraw/zinc/01/94/74/822019474.db2.gz ZXADPQHESUCAFF-ZIAGYGMSSA-N 2 1 297.443 0.702 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928318 822020915 /nfs/dbraw/zinc/02/09/15/822020915.db2.gz UETGFVDYSFYVLR-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928318 822020923 /nfs/dbraw/zinc/02/09/23/822020923.db2.gz UETGFVDYSFYVLR-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085982173 822052766 /nfs/dbraw/zinc/05/27/66/822052766.db2.gz DEPMPRDCGXEKMS-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085982173 822052776 /nfs/dbraw/zinc/05/27/76/822052776.db2.gz DEPMPRDCGXEKMS-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085982173 822052787 /nfs/dbraw/zinc/05/27/87/822052787.db2.gz DEPMPRDCGXEKMS-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085982173 822052795 /nfs/dbraw/zinc/05/27/95/822052795.db2.gz DEPMPRDCGXEKMS-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC1CC1 ZINC001129770909 837557728 /nfs/dbraw/zinc/55/77/28/837557728.db2.gz NIVBPTVTZXASGJ-AWEZNQCLSA-N 2 1 263.385 0.590 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC1CC1 ZINC001129770909 837557735 /nfs/dbraw/zinc/55/77/35/837557735.db2.gz NIVBPTVTZXASGJ-AWEZNQCLSA-N 2 1 263.385 0.590 20 30 CCEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169989584 836640470 /nfs/dbraw/zinc/64/04/70/836640470.db2.gz BVGFMBGSHDPKSD-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169989584 836640474 /nfs/dbraw/zinc/64/04/74/836640474.db2.gz BVGFMBGSHDPKSD-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130615561 837869154 /nfs/dbraw/zinc/86/91/54/837869154.db2.gz NJPUTNHEJMGSID-UHFFFAOYSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090490055 837889414 /nfs/dbraw/zinc/88/94/14/837889414.db2.gz QIZYVXMVYPPRPP-KGLIPLIRSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090490055 837889421 /nfs/dbraw/zinc/88/94/21/837889421.db2.gz QIZYVXMVYPPRPP-KGLIPLIRSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132423589 838389790 /nfs/dbraw/zinc/38/97/90/838389790.db2.gz ARULLNSKOLGTNB-LSDHHAIUSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426309 838392741 /nfs/dbraw/zinc/39/27/41/838392741.db2.gz VLXVGDFLRKMGFN-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134804295 839079131 /nfs/dbraw/zinc/07/91/31/839079131.db2.gz FTCFYSWUKBZPQH-VXGBXAGGSA-N 2 1 292.383 0.856 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135103260 839162208 /nfs/dbraw/zinc/16/22/08/839162208.db2.gz ZEBZWAWWTRMHFD-KGLIPLIRSA-N 2 1 263.385 0.732 20 30 CCEDMP C=C(Br)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146718887 840353805 /nfs/dbraw/zinc/35/38/05/840353805.db2.gz JQMKAYXQKKOAMB-UHFFFAOYSA-N 2 1 292.221 0.943 20 30 CCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001171308524 840607901 /nfs/dbraw/zinc/60/79/01/840607901.db2.gz TZEWUUCKIIISHO-HOTGVXAUSA-N 2 1 289.423 0.982 20 30 CCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001171308524 840607908 /nfs/dbraw/zinc/60/79/08/840607908.db2.gz TZEWUUCKIIISHO-HOTGVXAUSA-N 2 1 289.423 0.982 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161042758 840612474 /nfs/dbraw/zinc/61/24/74/840612474.db2.gz UXPZZGYUDOHLIR-CQSZACIVSA-N 2 1 281.400 0.216 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147885272 840702321 /nfs/dbraw/zinc/70/23/21/840702321.db2.gz LDAKKUQIBVELBC-ZDUSSCGKSA-N 2 1 269.389 0.237 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001094577716 841672179 /nfs/dbraw/zinc/67/21/79/841672179.db2.gz MBMGLAZEYQXTNH-ZMSDIMECSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577716 841672185 /nfs/dbraw/zinc/67/21/85/841672185.db2.gz MBMGLAZEYQXTNH-ZMSDIMECSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577716 841672193 /nfs/dbraw/zinc/67/21/93/841672193.db2.gz MBMGLAZEYQXTNH-ZMSDIMECSA-N 2 1 289.423 0.932 20 30 CCEDMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)C[NH3+])C[C@H]1C#N ZINC001172966116 841990548 /nfs/dbraw/zinc/99/05/48/841990548.db2.gz MKARIALUDOVXNF-WOPDTQHZSA-N 2 1 298.387 0.187 20 30 CCEDMP C=CCOC1CCC([NH2+]C[C@H](C[NH3+])C(=O)OC)CC1 ZINC001173315668 842051328 /nfs/dbraw/zinc/05/13/28/842051328.db2.gz OXTCTSDCXPDAGD-HIFPTAJRSA-N 2 1 270.373 0.838 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001176845737 842446508 /nfs/dbraw/zinc/44/65/08/842446508.db2.gz VOUOHEOJVPARAK-BETUJISGSA-N 2 1 251.374 0.588 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177088691 842503923 /nfs/dbraw/zinc/50/39/23/842503923.db2.gz MRBCMBGANLHHCW-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177088691 842503934 /nfs/dbraw/zinc/50/39/34/842503934.db2.gz MRBCMBGANLHHCW-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178360073 842832020 /nfs/dbraw/zinc/83/20/20/842832020.db2.gz KIDSZKLVFNPECV-SOUVJXGZSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001189890732 845278277 /nfs/dbraw/zinc/27/82/77/845278277.db2.gz IBJDLTSDCJNSKL-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001191019435 845566492 /nfs/dbraw/zinc/56/64/92/845566492.db2.gz MFCBGIBXJXBGDV-CYBMUJFWSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192047017 845770718 /nfs/dbraw/zinc/77/07/18/845770718.db2.gz QCPNEZFPBHIWQJ-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487916 846091268 /nfs/dbraw/zinc/09/12/68/846091268.db2.gz HMPTWKUHSYJADV-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487522 846091954 /nfs/dbraw/zinc/09/19/54/846091954.db2.gz ANSOFLQEWGKDPG-AWEZNQCLSA-N 2 1 281.400 0.121 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193892288 846176334 /nfs/dbraw/zinc/17/63/34/846176334.db2.gz IEAGYJIOMXJRRJ-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193892288 846176339 /nfs/dbraw/zinc/17/63/39/846176339.db2.gz IEAGYJIOMXJRRJ-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193892288 846176345 /nfs/dbraw/zinc/17/63/45/846176345.db2.gz IEAGYJIOMXJRRJ-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193892288 846176351 /nfs/dbraw/zinc/17/63/51/846176351.db2.gz IEAGYJIOMXJRRJ-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970831 846821573 /nfs/dbraw/zinc/82/15/73/846821573.db2.gz YULOQMPZCOSNPE-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP COCC#CC[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044810 846830206 /nfs/dbraw/zinc/83/02/06/846830206.db2.gz WSDRVZSJJHVCGQ-UHFFFAOYSA-N 2 1 281.400 0.122 20 30 CCEDMP COCC#CC[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044810 846830208 /nfs/dbraw/zinc/83/02/08/846830208.db2.gz WSDRVZSJJHVCGQ-UHFFFAOYSA-N 2 1 281.400 0.122 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671244 847151342 /nfs/dbraw/zinc/15/13/42/847151342.db2.gz DGPMVFYFLFJJMA-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671244 847151349 /nfs/dbraw/zinc/15/13/49/847151349.db2.gz DGPMVFYFLFJJMA-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200807594 847694095 /nfs/dbraw/zinc/69/40/95/847694095.db2.gz WHQWBZLXOLVCMR-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976577 847708800 /nfs/dbraw/zinc/70/88/00/847708800.db2.gz VFXCUPROPYLZNJ-CQSZACIVSA-N 2 1 290.367 0.032 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201808602 847815374 /nfs/dbraw/zinc/81/53/74/847815374.db2.gz DSLHXRGMMRQYEI-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C=C[C@@](C)(O)C[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252549676 848001651 /nfs/dbraw/zinc/00/16/51/848001651.db2.gz GSTQDWQGUZYTBC-CQSZACIVSA-N 2 1 272.389 0.740 20 30 CCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1C ZINC001274577856 848509854 /nfs/dbraw/zinc/50/98/54/848509854.db2.gz DEIYENAVLQVXRO-ARJAWSKDSA-N 2 1 290.367 0.103 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001274785910 848566752 /nfs/dbraw/zinc/56/67/52/848566752.db2.gz GLSGTVKSZKYDIF-GJZGRUSLSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCOCC ZINC001275184469 848659283 /nfs/dbraw/zinc/65/92/83/848659283.db2.gz CBYGBWPTDMOVMW-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCOCC ZINC001275184469 848659284 /nfs/dbraw/zinc/65/92/84/848659284.db2.gz CBYGBWPTDMOVMW-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980240 849037089 /nfs/dbraw/zinc/03/70/89/849037089.db2.gz WGACFMCWVZMQEE-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[C@H]1CCCCO1 ZINC000305873266 849520447 /nfs/dbraw/zinc/52/04/47/849520447.db2.gz PLXQPUSXVSMYSJ-CQSZACIVSA-N 2 1 298.431 0.572 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001038632609 849747630 /nfs/dbraw/zinc/74/76/30/849747630.db2.gz YVZPMGSXSZNYSF-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001038632609 849747618 /nfs/dbraw/zinc/74/76/18/849747618.db2.gz YVZPMGSXSZNYSF-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001038632609 849747624 /nfs/dbraw/zinc/74/76/24/849747624.db2.gz YVZPMGSXSZNYSF-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039028871 850126816 /nfs/dbraw/zinc/12/68/16/850126816.db2.gz RYGXZOJKARTQNQ-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028871 850126825 /nfs/dbraw/zinc/12/68/25/850126825.db2.gz RYGXZOJKARTQNQ-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028871 850126832 /nfs/dbraw/zinc/12/68/32/850126832.db2.gz RYGXZOJKARTQNQ-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041170002 850392337 /nfs/dbraw/zinc/39/23/37/850392337.db2.gz MMXBDTQSOVSYQR-GOEBONIOSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041170002 850392347 /nfs/dbraw/zinc/39/23/47/850392347.db2.gz MMXBDTQSOVSYQR-GOEBONIOSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041170002 850392354 /nfs/dbraw/zinc/39/23/54/850392354.db2.gz MMXBDTQSOVSYQR-GOEBONIOSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041170002 850392364 /nfs/dbraw/zinc/39/23/64/850392364.db2.gz MMXBDTQSOVSYQR-GOEBONIOSA-N 2 1 293.411 0.427 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042216070 850597673 /nfs/dbraw/zinc/59/76/73/850597673.db2.gz LGQCABVGCHOFAL-GOEBONIOSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046421165 851496788 /nfs/dbraw/zinc/49/67/88/851496788.db2.gz SOCYYRGHIHABKH-NFAWXSAZSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001046421165 851496769 /nfs/dbraw/zinc/49/67/69/851496769.db2.gz SOCYYRGHIHABKH-NFAWXSAZSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046421165 851496775 /nfs/dbraw/zinc/49/67/75/851496775.db2.gz SOCYYRGHIHABKH-NFAWXSAZSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046421165 851496783 /nfs/dbraw/zinc/49/67/83/851496783.db2.gz SOCYYRGHIHABKH-NFAWXSAZSA-N 2 1 281.400 0.472 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046839282 851624745 /nfs/dbraw/zinc/62/47/45/851624745.db2.gz QEXSQJZDWJJXCH-DZGCQCFKSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046839282 851624751 /nfs/dbraw/zinc/62/47/51/851624751.db2.gz QEXSQJZDWJJXCH-DZGCQCFKSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046839282 851624755 /nfs/dbraw/zinc/62/47/55/851624755.db2.gz QEXSQJZDWJJXCH-DZGCQCFKSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046839284 851625326 /nfs/dbraw/zinc/62/53/26/851625326.db2.gz QEXSQJZDWJJXCH-UKRRQHHQSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046839284 851625333 /nfs/dbraw/zinc/62/53/33/851625333.db2.gz QEXSQJZDWJJXCH-UKRRQHHQSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046839284 851625337 /nfs/dbraw/zinc/62/53/37/851625337.db2.gz QEXSQJZDWJJXCH-UKRRQHHQSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049058749 852149379 /nfs/dbraw/zinc/14/93/79/852149379.db2.gz HUSOYIDXDLBFQJ-GASCZTMLSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049058749 852149382 /nfs/dbraw/zinc/14/93/82/852149382.db2.gz HUSOYIDXDLBFQJ-GASCZTMLSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049058749 852149384 /nfs/dbraw/zinc/14/93/84/852149384.db2.gz HUSOYIDXDLBFQJ-GASCZTMLSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049056968 852150098 /nfs/dbraw/zinc/15/00/98/852150098.db2.gz FQICIMYLXJZDKG-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049056968 852150105 /nfs/dbraw/zinc/15/01/05/852150105.db2.gz FQICIMYLXJZDKG-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049056968 852150111 /nfs/dbraw/zinc/15/01/11/852150111.db2.gz FQICIMYLXJZDKG-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058484 852150597 /nfs/dbraw/zinc/15/05/97/852150597.db2.gz DRJARTMDRRHXQC-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058484 852150602 /nfs/dbraw/zinc/15/06/02/852150602.db2.gz DRJARTMDRRHXQC-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058484 852150605 /nfs/dbraw/zinc/15/06/05/852150605.db2.gz DRJARTMDRRHXQC-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847616 852386505 /nfs/dbraw/zinc/38/65/05/852386505.db2.gz YBPYOHZLUKMEJO-LSDHHAIUSA-N 2 1 287.407 0.781 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001054833896 853021214 /nfs/dbraw/zinc/02/12/14/853021214.db2.gz NAODVOXPNMFBGF-BXUZGUMPSA-N 2 1 292.383 0.972 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001054905971 853034602 /nfs/dbraw/zinc/03/46/02/853034602.db2.gz MHVBEOKBLWJQTB-DGCLKSJQSA-N 2 1 262.357 0.814 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001054905972 853035240 /nfs/dbraw/zinc/03/52/40/853035240.db2.gz MHVBEOKBLWJQTB-WCQYABFASA-N 2 1 262.357 0.814 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000392752279 854094715 /nfs/dbraw/zinc/09/47/15/854094715.db2.gz FAPWCZZCLHPMEE-UHFFFAOYSA-N 2 1 289.379 0.595 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000392752279 854094710 /nfs/dbraw/zinc/09/47/10/854094710.db2.gz FAPWCZZCLHPMEE-UHFFFAOYSA-N 2 1 289.379 0.595 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001074829662 854789960 /nfs/dbraw/zinc/78/99/60/854789960.db2.gz JIYBJXFWWHKRNF-SOUVJXGZSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001074829662 854789962 /nfs/dbraw/zinc/78/99/62/854789962.db2.gz JIYBJXFWWHKRNF-SOUVJXGZSA-N 2 1 293.411 0.308 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001075123247 854813618 /nfs/dbraw/zinc/81/36/18/854813618.db2.gz BHPQIXAUIVKUIL-IHRRRGAJSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001075123247 854813626 /nfs/dbraw/zinc/81/36/26/854813626.db2.gz BHPQIXAUIVKUIL-IHRRRGAJSA-N 2 1 281.400 0.472 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(CC)CCO1)C2 ZINC001098445990 854867160 /nfs/dbraw/zinc/86/71/60/854867160.db2.gz ZTNNWZZGMVVXGU-KBXIAJHMSA-N 2 1 291.395 0.062 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(CC)CCO1)C2 ZINC001098445990 854867165 /nfs/dbraw/zinc/86/71/65/854867165.db2.gz ZTNNWZZGMVVXGU-KBXIAJHMSA-N 2 1 291.395 0.062 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(CC)CCO1)C2 ZINC001098445967 854868323 /nfs/dbraw/zinc/86/83/23/854868323.db2.gz YZFWHLXNJHYTOX-APIJFGDWSA-N 2 1 293.411 0.615 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 ZINC001099804004 854998393 /nfs/dbraw/zinc/99/83/93/854998393.db2.gz GNQFRKDORZKBSJ-CHWSQXEVSA-N 2 1 292.383 0.470 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879711 855017653 /nfs/dbraw/zinc/01/76/53/855017653.db2.gz OMHAGOREVPYIFK-ZIAGYGMSSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879711 855017661 /nfs/dbraw/zinc/01/76/61/855017661.db2.gz OMHAGOREVPYIFK-ZIAGYGMSSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879711 855017671 /nfs/dbraw/zinc/01/76/71/855017671.db2.gz OMHAGOREVPYIFK-ZIAGYGMSSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986481 855061717 /nfs/dbraw/zinc/06/17/17/855061717.db2.gz LLFZINHRPZNNCE-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100125335 855102608 /nfs/dbraw/zinc/10/26/08/855102608.db2.gz WETMYWOPMHUNEE-LSDHHAIUSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100125335 855102614 /nfs/dbraw/zinc/10/26/14/855102614.db2.gz WETMYWOPMHUNEE-LSDHHAIUSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366973 855431531 /nfs/dbraw/zinc/43/15/31/855431531.db2.gz WWYWMSURARGJMZ-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366973 855431534 /nfs/dbraw/zinc/43/15/34/855431534.db2.gz WWYWMSURARGJMZ-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366973 855431538 /nfs/dbraw/zinc/43/15/38/855431538.db2.gz WWYWMSURARGJMZ-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2CC)C1 ZINC001119304187 856624583 /nfs/dbraw/zinc/62/45/83/856624583.db2.gz IVDSUEGFAGPNKR-ZIAGYGMSSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2CC)C1 ZINC001119304187 856624588 /nfs/dbraw/zinc/62/45/88/856624588.db2.gz IVDSUEGFAGPNKR-ZIAGYGMSSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2CC)C1 ZINC001119304187 856624592 /nfs/dbraw/zinc/62/45/92/856624592.db2.gz IVDSUEGFAGPNKR-ZIAGYGMSSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+]2CC)C1 ZINC001119304187 856624600 /nfs/dbraw/zinc/62/46/00/856624600.db2.gz IVDSUEGFAGPNKR-ZIAGYGMSSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001324853591 913063787 /nfs/dbraw/zinc/06/37/87/913063787.db2.gz ZMLXTMVKRZUYQS-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001325122357 913228482 /nfs/dbraw/zinc/22/84/82/913228482.db2.gz FVTHNKBBMYZUSC-OAHLLOKOSA-N 2 1 281.400 0.067 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001394633824 913331321 /nfs/dbraw/zinc/33/13/21/913331321.db2.gz KGNUTLOATPCCHY-ZYHUDNBSSA-N 2 1 289.807 0.147 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001394633824 913331336 /nfs/dbraw/zinc/33/13/36/913331336.db2.gz KGNUTLOATPCCHY-ZYHUDNBSSA-N 2 1 289.807 0.147 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001481054700 892116675 /nfs/dbraw/zinc/11/66/75/892116675.db2.gz QPQDUBOCPZCPJG-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+](CCC)CCNC(=O)Cn1cc[nH+]c1C ZINC001481153867 892237796 /nfs/dbraw/zinc/23/77/96/892237796.db2.gz NUOOGADROSKBGX-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP C#CC[N@@H+](CCC)CCNC(=O)Cn1cc[nH+]c1C ZINC001481153867 892237814 /nfs/dbraw/zinc/23/78/14/892237814.db2.gz NUOOGADROSKBGX-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001481217890 892371759 /nfs/dbraw/zinc/37/17/59/892371759.db2.gz TWZSACQXTXLFBX-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001481217890 892371779 /nfs/dbraw/zinc/37/17/79/892371779.db2.gz TWZSACQXTXLFBX-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001493498171 893413268 /nfs/dbraw/zinc/41/32/68/893413268.db2.gz ADJLRZRTRSFECG-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482141393 893433839 /nfs/dbraw/zinc/43/38/39/893433839.db2.gz CLENOBOJCNVBNO-ZIAGYGMSSA-N 2 1 265.401 0.693 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001501617644 893957733 /nfs/dbraw/zinc/95/77/33/893957733.db2.gz BXIFKEDBOSVECB-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP C=CCOCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001482586776 894294925 /nfs/dbraw/zinc/29/49/25/894294925.db2.gz QVPLDNPNHGIOCL-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C=CCOCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482586776 894294946 /nfs/dbraw/zinc/29/49/46/894294946.db2.gz QVPLDNPNHGIOCL-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C=CCOCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001482586776 894294963 /nfs/dbraw/zinc/29/49/63/894294963.db2.gz QVPLDNPNHGIOCL-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCC1 ZINC001484658290 896520925 /nfs/dbraw/zinc/52/09/25/896520925.db2.gz XLBOMSAQHYPHRU-UHFFFAOYSA-N 2 1 281.400 0.523 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001484695745 896551732 /nfs/dbraw/zinc/55/17/32/896551732.db2.gz IBBKOFBNEVPRPQ-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001485077571 896754459 /nfs/dbraw/zinc/75/44/59/896754459.db2.gz OUFYQLVDLFGGIO-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP CC#CC[NH2+]CC1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001485097400 896778652 /nfs/dbraw/zinc/77/86/52/896778652.db2.gz XRJGRKCMWAHZRR-UHFFFAOYSA-N 2 1 274.368 0.699 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078006202 898173520 /nfs/dbraw/zinc/17/35/20/898173520.db2.gz VSNAYFNSEPNFSD-BFHYXJOUSA-N 2 1 281.400 0.066 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485943723 898528967 /nfs/dbraw/zinc/52/89/67/898528967.db2.gz CSUSNYRIVXLLGQ-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001485959560 898559471 /nfs/dbraw/zinc/55/94/71/898559471.db2.gz WWNFDNCHIZAQSP-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001485959560 898559478 /nfs/dbraw/zinc/55/94/78/898559478.db2.gz WWNFDNCHIZAQSP-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001486348802 898829072 /nfs/dbraw/zinc/82/90/72/898829072.db2.gz HMUDWXMCFWSVSE-KBPBESRZSA-N 2 1 283.416 0.101 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001489002547 900422978 /nfs/dbraw/zinc/42/29/78/900422978.db2.gz KDSLJWNNUPWKLR-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001489215150 900450462 /nfs/dbraw/zinc/45/04/62/900450462.db2.gz CKJFCDZKMONIQF-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001489215150 900450464 /nfs/dbraw/zinc/45/04/64/900450464.db2.gz CKJFCDZKMONIQF-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP C=C(C)C[NH+](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001492868512 914562145 /nfs/dbraw/zinc/56/21/45/914562145.db2.gz WREWIEAAVIGBCH-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=C(C)C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001492868512 914562162 /nfs/dbraw/zinc/56/21/62/914562162.db2.gz WREWIEAAVIGBCH-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001492868512 914562180 /nfs/dbraw/zinc/56/21/80/914562180.db2.gz WREWIEAAVIGBCH-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001492868512 914562199 /nfs/dbraw/zinc/56/21/99/914562199.db2.gz WREWIEAAVIGBCH-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001491073191 903339932 /nfs/dbraw/zinc/33/99/32/903339932.db2.gz FVTKBTBSESGKNU-OKILXGFUSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001316609506 904259568 /nfs/dbraw/zinc/25/95/68/904259568.db2.gz XCTBODVARQZQQV-AWEZNQCLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001316609506 904259578 /nfs/dbraw/zinc/25/95/78/904259578.db2.gz XCTBODVARQZQQV-AWEZNQCLSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001329168937 915721279 /nfs/dbraw/zinc/72/12/79/915721279.db2.gz OCEKUWJPIHYTSZ-CHWSQXEVSA-N 2 1 253.390 0.834 20 30 CCEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C(C)C ZINC001283556317 904905419 /nfs/dbraw/zinc/90/54/19/904905419.db2.gz HSEZGVSQGBOEDJ-CQSZACIVSA-N 2 1 265.401 0.786 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283556056 904906317 /nfs/dbraw/zinc/90/63/17/904906317.db2.gz KDGMGDCCOMJGCN-CABCVRRESA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCOC ZINC001283616715 904931129 /nfs/dbraw/zinc/93/11/29/904931129.db2.gz ATOZALUEKJIGTG-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCOC ZINC001283616715 904931146 /nfs/dbraw/zinc/93/11/46/904931146.db2.gz ATOZALUEKJIGTG-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C=C(C)C[NH2+][C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001491612038 907443936 /nfs/dbraw/zinc/44/39/36/907443936.db2.gz SDIOLRJHNOEKJE-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001491857148 907607961 /nfs/dbraw/zinc/60/79/61/907607961.db2.gz QJTSTGIQEGCJEK-GJZGRUSLSA-N 2 1 295.427 0.579 20 30 CCEDMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001492221436 907775463 /nfs/dbraw/zinc/77/54/63/907775463.db2.gz VNABGOPGAVMRIN-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492221436 907775470 /nfs/dbraw/zinc/77/54/70/907775470.db2.gz VNABGOPGAVMRIN-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492221436 907775477 /nfs/dbraw/zinc/77/54/77/907775477.db2.gz VNABGOPGAVMRIN-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001492221436 907775483 /nfs/dbraw/zinc/77/54/83/907775483.db2.gz VNABGOPGAVMRIN-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001492221436 907775488 /nfs/dbraw/zinc/77/54/88/907775488.db2.gz VNABGOPGAVMRIN-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317127557 909002595 /nfs/dbraw/zinc/00/25/95/909002595.db2.gz IRLZEVMNRSCTSN-BETUJISGSA-N 2 1 251.374 0.587 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317508253 909278723 /nfs/dbraw/zinc/27/87/23/909278723.db2.gz HOYCZACSSQBLCM-UONOGXRCSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001318543093 909808311 /nfs/dbraw/zinc/80/83/11/909808311.db2.gz WDBSWQCIRVUGRX-LBPRGKRZSA-N 2 1 292.383 0.858 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)CC[N@H+](C)CC ZINC001331602522 917442680 /nfs/dbraw/zinc/44/26/80/917442680.db2.gz YUWLOIMGYJMMBA-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC#N)[C@H](C)C1 ZINC001335812459 920449286 /nfs/dbraw/zinc/44/92/86/920449286.db2.gz DIBOSEPTIHYABD-KFWWJZLASA-N 2 1 283.416 0.988 20 30 CCEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC#N)[C@H](C)C1 ZINC001335812459 920449295 /nfs/dbraw/zinc/44/92/95/920449295.db2.gz DIBOSEPTIHYABD-KFWWJZLASA-N 2 1 283.416 0.988 20 30 CCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC001336771139 920995616 /nfs/dbraw/zinc/99/56/16/920995616.db2.gz PTDMMJHGLRRRCW-AWEZNQCLSA-N 2 1 266.389 0.044 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001336878381 921079214 /nfs/dbraw/zinc/07/92/14/921079214.db2.gz ZEJWWJLMQPCXEF-UONOGXRCSA-N 2 1 280.416 0.568 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001341416001 922473669 /nfs/dbraw/zinc/47/36/69/922473669.db2.gz VEWQUXGNMMQTBG-HNNXBMFYSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH2+]CC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC001341672205 922618309 /nfs/dbraw/zinc/61/83/09/922618309.db2.gz BHXVQZXTCOLOAX-UHFFFAOYSA-N 2 1 273.380 0.977 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001346453403 924221012 /nfs/dbraw/zinc/22/10/12/924221012.db2.gz JERNYDQJGYWWID-CYBMUJFWSA-N 2 1 266.389 0.322 20 30 CCEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC001353289088 925785409 /nfs/dbraw/zinc/78/54/09/925785409.db2.gz WAVDZRDDYOLNBE-OLZOCXBDSA-N 2 1 251.374 0.973 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H](C)COC)CC1 ZINC001356610350 926409530 /nfs/dbraw/zinc/40/95/30/926409530.db2.gz NSBMDSQQXZEVPM-GDBMZVCRSA-N 2 1 298.427 0.476 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001443738491 929687630 /nfs/dbraw/zinc/68/76/30/929687630.db2.gz BQHRQUYLUZSNLV-CQSZACIVSA-N 2 1 294.443 0.389 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001443738491 929687639 /nfs/dbraw/zinc/68/76/39/929687639.db2.gz BQHRQUYLUZSNLV-CQSZACIVSA-N 2 1 294.443 0.389 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001448836930 931003096 /nfs/dbraw/zinc/00/30/96/931003096.db2.gz GFYAJTUVURLMTG-NSHDSACASA-N 2 1 289.807 0.290 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001448836930 931003106 /nfs/dbraw/zinc/00/31/06/931003106.db2.gz GFYAJTUVURLMTG-NSHDSACASA-N 2 1 289.807 0.290 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000073436870 348952273 /nfs/dbraw/zinc/95/22/73/348952273.db2.gz HOBHBHWDIOORBS-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000073436870 348952278 /nfs/dbraw/zinc/95/22/78/348952278.db2.gz HOBHBHWDIOORBS-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCNC(=O)[C@H](C)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173900795 351061553 /nfs/dbraw/zinc/06/15/53/351061553.db2.gz GOILQCVCSLNCGO-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228475285 352074600 /nfs/dbraw/zinc/07/46/00/352074600.db2.gz FTLFIQYNOSALSY-QJPTWQEYSA-N 2 1 280.372 0.057 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228475285 352074605 /nfs/dbraw/zinc/07/46/05/352074605.db2.gz FTLFIQYNOSALSY-QJPTWQEYSA-N 2 1 280.372 0.057 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261579808 352561895 /nfs/dbraw/zinc/56/18/95/352561895.db2.gz FAQUETUDEQRFAH-BFHYXJOUSA-N 2 1 263.385 0.856 20 30 CCEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000332729562 283098442 /nfs/dbraw/zinc/09/84/42/283098442.db2.gz VDJVSIOPNKGTSQ-MGPQQGTHSA-N 2 1 278.400 0.950 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000491704085 358296713 /nfs/dbraw/zinc/29/67/13/358296713.db2.gz KCYDQSPEGYUEPS-HNNXBMFYSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000491704085 358296714 /nfs/dbraw/zinc/29/67/14/358296714.db2.gz KCYDQSPEGYUEPS-HNNXBMFYSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000491704085 358296715 /nfs/dbraw/zinc/29/67/15/358296715.db2.gz KCYDQSPEGYUEPS-HNNXBMFYSA-N 2 1 294.443 0.923 20 30 CCEDMP N#CCCC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000611072262 363655177 /nfs/dbraw/zinc/65/51/77/363655177.db2.gz NBWXHRACLGQJIT-CYBMUJFWSA-N 2 1 264.373 0.704 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593735727 360144392 /nfs/dbraw/zinc/14/43/92/360144392.db2.gz ZQLPFFHCTOPYMO-HUBLWGQQSA-N 2 1 294.399 0.448 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593735727 360144395 /nfs/dbraw/zinc/14/43/95/360144395.db2.gz ZQLPFFHCTOPYMO-HUBLWGQQSA-N 2 1 294.399 0.448 20 30 CCEDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C#N)c(N)n1 ZINC000596425674 360891374 /nfs/dbraw/zinc/89/13/74/360891374.db2.gz ULEOIRAEYXQLFZ-UHFFFAOYSA-N 2 1 276.388 0.253 20 30 CCEDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C#N)c(N)n1 ZINC000596425674 360891375 /nfs/dbraw/zinc/89/13/75/360891375.db2.gz ULEOIRAEYXQLFZ-UHFFFAOYSA-N 2 1 276.388 0.253 20 30 CCEDMP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCC[NH2+]1 ZINC000638729114 375323935 /nfs/dbraw/zinc/32/39/35/375323935.db2.gz YEOFNYSILZVQPD-JSGCOSHPSA-N 2 1 251.374 0.895 20 30 CCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000329801953 389203229 /nfs/dbraw/zinc/20/32/29/389203229.db2.gz JZLXUHATRLLHLM-BNOWGMLFSA-N 2 1 296.415 0.303 20 30 CCEDMP N#CCCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000330658842 389250343 /nfs/dbraw/zinc/25/03/43/389250343.db2.gz STTLSJZHRZFCCV-UHFFFAOYSA-N 2 1 281.400 0.839 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362080928 389229127 /nfs/dbraw/zinc/22/91/27/389229127.db2.gz UKQZKNANSJRRGY-OAHLLOKOSA-N 2 1 292.427 0.143 20 30 CCEDMP C[C@H]1C[NH+]=C(NCC[N@@H+]2CCc3ccccc3C2)N1 ZINC000262684939 389293433 /nfs/dbraw/zinc/29/34/33/389293433.db2.gz XZYNQJAQDQGPDT-LBPRGKRZSA-N 2 1 258.369 0.982 20 30 CCEDMP C[C@H]1C[NH+]=C(NCC[N@H+]2CCc3ccccc3C2)N1 ZINC000262684939 389293436 /nfs/dbraw/zinc/29/34/36/389293436.db2.gz XZYNQJAQDQGPDT-LBPRGKRZSA-N 2 1 258.369 0.982 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000264115627 389307610 /nfs/dbraw/zinc/30/76/10/389307610.db2.gz SOBQEROAEIJIFF-JTQLQIEISA-N 2 1 253.350 0.521 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1cc(C)cn1 ZINC000267432922 389371418 /nfs/dbraw/zinc/37/14/18/389371418.db2.gz MYIVMEFTLSFXMZ-CYBMUJFWSA-N 2 1 278.404 0.580 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)Nc1ccccn1 ZINC000170905037 389467569 /nfs/dbraw/zinc/46/75/69/389467569.db2.gz GKRUOKPQTLRLLL-UHFFFAOYSA-N 2 1 263.345 0.531 20 30 CCEDMP C=CCNC(=O)CN1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000163322719 389426787 /nfs/dbraw/zinc/42/67/87/389426787.db2.gz HUEGXOJAFQYLTB-HNNXBMFYSA-N 2 1 294.443 0.391 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000163262602 389426855 /nfs/dbraw/zinc/42/68/55/389426855.db2.gz CKQUGMMRQMKLSI-QWHCGFSZSA-N 2 1 251.374 0.856 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000163262602 389426856 /nfs/dbraw/zinc/42/68/56/389426856.db2.gz CKQUGMMRQMKLSI-QWHCGFSZSA-N 2 1 251.374 0.856 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430550333 389807122 /nfs/dbraw/zinc/80/71/22/389807122.db2.gz ZBWIFBGWFZOZDQ-NWDGAFQWSA-N 2 1 284.404 0.692 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430550333 389807124 /nfs/dbraw/zinc/80/71/24/389807124.db2.gz ZBWIFBGWFZOZDQ-NWDGAFQWSA-N 2 1 284.404 0.692 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000420299373 389980138 /nfs/dbraw/zinc/98/01/38/389980138.db2.gz AYSBTORRIJYKEF-FQUUOJAGSA-N 2 1 263.385 0.833 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)[NH+](C)C ZINC000491553513 390114873 /nfs/dbraw/zinc/11/48/73/390114873.db2.gz AOBDNXYUEGXGQA-LBPRGKRZSA-N 2 1 254.378 0.191 20 30 CCEDMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000563955288 390495192 /nfs/dbraw/zinc/49/51/92/390495192.db2.gz WGCAJDHIWXJFCC-STQMWFEESA-N 2 1 266.389 0.854 20 30 CCEDMP CC(C)[N@H+]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000568751552 390714819 /nfs/dbraw/zinc/71/48/19/390714819.db2.gz FCBMZVMZKKTQLA-CYBMUJFWSA-N 2 1 266.389 0.950 20 30 CCEDMP C[C@H](CCO)[NH+](C)CC#CC[N@H+](C)[C@@H](C)CCO ZINC000649870866 397677174 /nfs/dbraw/zinc/67/71/74/397677174.db2.gz LQQCJSGBJJLBCE-OKILXGFUSA-N 2 1 256.390 0.395 20 30 CCEDMP C[C@H](CCO)[N@@H+](C)CC#CC[NH+](C)[C@@H](C)CCO ZINC000649870866 397677176 /nfs/dbraw/zinc/67/71/76/397677176.db2.gz LQQCJSGBJJLBCE-OKILXGFUSA-N 2 1 256.390 0.395 20 30 CCEDMP C[C@H](CCO)[N@H+](C)CC#CC[NH+](C)[C@@H](C)CCO ZINC000649870866 397677178 /nfs/dbraw/zinc/67/71/78/397677178.db2.gz LQQCJSGBJJLBCE-OKILXGFUSA-N 2 1 256.390 0.395 20 30 CCEDMP C=CC[C@@]1(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662702028 414743415 /nfs/dbraw/zinc/74/34/15/414743415.db2.gz VGVIZWCZMLSOKM-ZBFHGGJFSA-N 2 1 295.427 0.769 20 30 CCEDMP C[C@@H]1C[NH+](C)CCN1CC#CCN1CC[N@H+](C)C[C@H]1C ZINC000341883874 263362950 /nfs/dbraw/zinc/36/29/50/263362950.db2.gz PDEGPZJQKGBDHD-HZPDHXFCSA-N 2 1 278.444 0.262 20 30 CCEDMP CC1(O)CC[NH+](CC#CC[NH+]2CCC(C)(O)CC2)CC1 ZINC000341887336 263364234 /nfs/dbraw/zinc/36/42/34/263364234.db2.gz HJSOZUCUKSAOGW-UHFFFAOYSA-N 2 1 280.412 0.683 20 30 CCEDMP CC[C@@]1(O)CC[NH+](CC#CC[N@@H+]2CC[C@@](O)(CC)C2)C1 ZINC000342176670 263392287 /nfs/dbraw/zinc/39/22/87/263392287.db2.gz WGRKKLUDCMCZHU-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP CC[C@@]1(O)CC[N@@H+](CC#CC[NH+]2CC[C@@](O)(CC)C2)C1 ZINC000342176670 263392289 /nfs/dbraw/zinc/39/22/89/263392289.db2.gz WGRKKLUDCMCZHU-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP CC[C@@]1(O)CC[N@H+](CC#CC[NH+]2CC[C@@](O)(CC)C2)C1 ZINC000342176670 263392292 /nfs/dbraw/zinc/39/22/92/263392292.db2.gz WGRKKLUDCMCZHU-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000534579979 328311302 /nfs/dbraw/zinc/31/13/02/328311302.db2.gz JZCJGBWNKXHRRP-VXGBXAGGSA-N 2 1 262.357 0.900 20 30 CCEDMP C=CCNC(=O)[C@@H](C)N1CC[C@@H](c2nccn2C)C1 ZINC000534579979 328311304 /nfs/dbraw/zinc/31/13/04/328311304.db2.gz JZCJGBWNKXHRRP-VXGBXAGGSA-N 2 1 262.357 0.900 20 30 CCEDMP Cc1[nH+]ccn1CCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262432862 330010512 /nfs/dbraw/zinc/01/05/12/330010512.db2.gz FQIUMLBLDCKVBX-JTQLQIEISA-N 2 1 251.334 0.227 20 30 CCEDMP CC(C)CNC(=[NH2+])NC[C@@]1([NH+](C)C)CCSC1 ZINC000262434937 330010521 /nfs/dbraw/zinc/01/05/21/330010521.db2.gz FZTXYCPARPGJJH-LBPRGKRZSA-N 2 1 258.435 0.984 20 30 CCEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262454128 330014239 /nfs/dbraw/zinc/01/42/39/330014239.db2.gz KMNBWLQLQIGYAH-STQMWFEESA-N 2 1 268.405 0.754 20 30 CCEDMP C[NH+](C)[C@@]1(CNC(=[NH2+])NC[C@H]2CCCO2)CCSC1 ZINC000262498654 330017726 /nfs/dbraw/zinc/01/77/26/330017726.db2.gz XLBNMNNPEZGDEV-DGCLKSJQSA-N 2 1 286.445 0.507 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1CCOC)N1CCCC1 ZINC000263275309 330051389 /nfs/dbraw/zinc/05/13/89/330051389.db2.gz YDMSVFZMCCRUDC-ZDUSSCGKSA-N 2 1 268.405 0.768 20 30 CCEDMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424138346 330276597 /nfs/dbraw/zinc/27/65/97/330276597.db2.gz UEZOVYOZJNEXOC-CHWSQXEVSA-N 2 1 266.389 0.998 20 30 CCEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000451683994 331039049 /nfs/dbraw/zinc/03/90/49/331039049.db2.gz UITLWTUMCAIDQC-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000491516113 332227792 /nfs/dbraw/zinc/22/77/92/332227792.db2.gz QZRRIGDIECIETO-AWEZNQCLSA-N 2 1 280.416 0.583 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000491698676 332293477 /nfs/dbraw/zinc/29/34/77/332293477.db2.gz IEZIFMMQMVGIHD-GJZGRUSLSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000491698676 332293478 /nfs/dbraw/zinc/29/34/78/332293478.db2.gz IEZIFMMQMVGIHD-GJZGRUSLSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000491698676 332293480 /nfs/dbraw/zinc/29/34/80/332293480.db2.gz IEZIFMMQMVGIHD-GJZGRUSLSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1CC[NH2+]CC1 ZINC000491727661 332310884 /nfs/dbraw/zinc/31/08/84/332310884.db2.gz GOIPABKEQGWIFP-UHFFFAOYSA-N 2 1 266.389 0.240 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000491744749 332322771 /nfs/dbraw/zinc/32/27/71/332322771.db2.gz SMPHUBFGWFSHBV-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000491744749 332322772 /nfs/dbraw/zinc/32/27/72/332322772.db2.gz SMPHUBFGWFSHBV-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000491744749 332322773 /nfs/dbraw/zinc/32/27/73/332322773.db2.gz SMPHUBFGWFSHBV-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000491803422 332357359 /nfs/dbraw/zinc/35/73/59/332357359.db2.gz JDWYQRHHJWJRDF-ZIAGYGMSSA-N 2 1 280.416 0.568 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307944052 333021260 /nfs/dbraw/zinc/02/12/60/333021260.db2.gz UZHUXBAWBVULBM-JTQLQIEISA-N 2 1 252.280 0.844 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307944052 333021261 /nfs/dbraw/zinc/02/12/61/333021261.db2.gz UZHUXBAWBVULBM-JTQLQIEISA-N 2 1 252.280 0.844 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310842080 333061761 /nfs/dbraw/zinc/06/17/61/333061761.db2.gz KVADYVKDXBRKLV-UPJWGTAASA-N 2 1 251.374 0.609 20 30 CCEDMP C=C[C@@H](O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000667812141 545156633 /nfs/dbraw/zinc/15/66/33/545156633.db2.gz FFJKTYRDYJAWAL-UONOGXRCSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C[C@@H](O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668618100 545184172 /nfs/dbraw/zinc/18/41/72/545184172.db2.gz OBNGEBMVHKKXBO-ZIAGYGMSSA-N 2 1 281.400 0.160 20 30 CCEDMP CCOCCC[N@H+]1CCC(N=NC(N)=[NH2+])[C@H](C)C1 ZINC000735223671 581630168 /nfs/dbraw/zinc/63/01/68/581630168.db2.gz FNWMXEAPXLVADU-SNVBAGLBSA-N 2 1 255.366 0.594 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC)CC1 ZINC000730280126 581690071 /nfs/dbraw/zinc/69/00/71/581690071.db2.gz KMAHJEGPOQOGPY-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC)CC1 ZINC000730280126 581690073 /nfs/dbraw/zinc/69/00/73/581690073.db2.gz KMAHJEGPOQOGPY-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000730279075 581690162 /nfs/dbraw/zinc/69/01/62/581690162.db2.gz UBYHFUBSTGHVMM-KBPBESRZSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000730279075 581690166 /nfs/dbraw/zinc/69/01/66/581690166.db2.gz UBYHFUBSTGHVMM-KBPBESRZSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000742235096 581775039 /nfs/dbraw/zinc/77/50/39/581775039.db2.gz MVVHAZIHLOXXQT-ZDUSSCGKSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000742235096 581775040 /nfs/dbraw/zinc/77/50/40/581775040.db2.gz MVVHAZIHLOXXQT-ZDUSSCGKSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000964378645 612955840 /nfs/dbraw/zinc/95/58/40/612955840.db2.gz QDNIFPMVIJJBCK-NFOMZHRRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC000859524686 612998873 /nfs/dbraw/zinc/99/88/73/612998873.db2.gz DWLZCBFRSXFYRW-UHFFFAOYSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](C)CC1 ZINC000886581987 613065980 /nfs/dbraw/zinc/06/59/80/613065980.db2.gz APQOPMQVTIUIFA-UHFFFAOYSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1C[NH2+]C ZINC000891921366 613073683 /nfs/dbraw/zinc/07/36/83/613073683.db2.gz ODSNUTZOBFBVTR-CQSZACIVSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972333102 613089767 /nfs/dbraw/zinc/08/97/67/613089767.db2.gz UAVANYSFVIDPKX-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000972333102 613089769 /nfs/dbraw/zinc/08/97/69/613089769.db2.gz UAVANYSFVIDPKX-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000972333102 613089771 /nfs/dbraw/zinc/08/97/71/613089771.db2.gz UAVANYSFVIDPKX-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000119035895 613131195 /nfs/dbraw/zinc/13/11/95/613131195.db2.gz LQQJASNRIKDRNF-DZGCQCFKSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000119035895 613131196 /nfs/dbraw/zinc/13/11/96/613131196.db2.gz LQQJASNRIKDRNF-DZGCQCFKSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000923319106 613135320 /nfs/dbraw/zinc/13/53/20/613135320.db2.gz KVKLFAUBMUNXAS-HNNXBMFYSA-N 2 1 292.427 0.868 20 30 CCEDMP C#C[C@H]1CCC[N@H+](C[C@H](O)CN(C)CCOC)C1 ZINC000847018955 613159483 /nfs/dbraw/zinc/15/94/83/613159483.db2.gz NNODILHMAWWGRL-UONOGXRCSA-N 2 1 254.374 0.271 20 30 CCEDMP C#C[C@H]1CCCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000847018955 613159485 /nfs/dbraw/zinc/15/94/85/613159485.db2.gz NNODILHMAWWGRL-UONOGXRCSA-N 2 1 254.374 0.271 20 30 CCEDMP C#C[C@H]1CCCN(C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000847018955 613159488 /nfs/dbraw/zinc/15/94/88/613159488.db2.gz NNODILHMAWWGRL-UONOGXRCSA-N 2 1 254.374 0.271 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC000923579080 613165911 /nfs/dbraw/zinc/16/59/11/613165911.db2.gz NDJPTZOYWBAOEZ-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC000923579080 613165913 /nfs/dbraw/zinc/16/59/13/613165913.db2.gz NDJPTZOYWBAOEZ-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC000923579080 613165915 /nfs/dbraw/zinc/16/59/15/613165915.db2.gz NDJPTZOYWBAOEZ-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC000923579080 613165916 /nfs/dbraw/zinc/16/59/16/613165916.db2.gz NDJPTZOYWBAOEZ-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000884195371 613168359 /nfs/dbraw/zinc/16/83/59/613168359.db2.gz KXRXNFCRQWJCBB-OAHLLOKOSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000884195371 613168361 /nfs/dbraw/zinc/16/83/61/613168361.db2.gz KXRXNFCRQWJCBB-OAHLLOKOSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000889041574 613170474 /nfs/dbraw/zinc/17/04/74/613170474.db2.gz IXFWGOVZMGYOAA-QWHCGFSZSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000889041574 613170475 /nfs/dbraw/zinc/17/04/75/613170475.db2.gz IXFWGOVZMGYOAA-QWHCGFSZSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[C@H](C)[NH+](C)C)C1 ZINC000890364408 613185727 /nfs/dbraw/zinc/18/57/27/613185727.db2.gz ZOGVLPVHTKIZNM-KBPBESRZSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@H](C)[NH+](C)C)C1 ZINC000890364408 613185728 /nfs/dbraw/zinc/18/57/28/613185728.db2.gz ZOGVLPVHTKIZNM-KBPBESRZSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CC2)C1 ZINC000961938656 613198286 /nfs/dbraw/zinc/19/82/86/613198286.db2.gz QXEBOEIJXICSMV-GPANFISMSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CC2)C1 ZINC000961938656 613198287 /nfs/dbraw/zinc/19/82/87/613198287.db2.gz QXEBOEIJXICSMV-GPANFISMSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C(C)C)C[C@H]21 ZINC000960348059 613202597 /nfs/dbraw/zinc/20/25/97/613202597.db2.gz QLAOADPFUPGGCA-LJISPDSOSA-N 2 1 275.396 0.539 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC000960348059 613202599 /nfs/dbraw/zinc/20/25/99/613202599.db2.gz QLAOADPFUPGGCA-LJISPDSOSA-N 2 1 275.396 0.539 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C(C)C)C[C@H]21 ZINC000960348059 613202602 /nfs/dbraw/zinc/20/26/02/613202602.db2.gz QLAOADPFUPGGCA-LJISPDSOSA-N 2 1 275.396 0.539 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C(C)C)C[C@H]21 ZINC000960348059 613202604 /nfs/dbraw/zinc/20/26/04/613202604.db2.gz QLAOADPFUPGGCA-LJISPDSOSA-N 2 1 275.396 0.539 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000960346937 613202955 /nfs/dbraw/zinc/20/29/55/613202955.db2.gz NBFLGNJYTVAXPQ-XUWVNRHRSA-N 2 1 287.407 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000960346937 613202957 /nfs/dbraw/zinc/20/29/57/613202957.db2.gz NBFLGNJYTVAXPQ-XUWVNRHRSA-N 2 1 287.407 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC3CC3)C[C@H]21 ZINC000960346937 613202958 /nfs/dbraw/zinc/20/29/58/613202958.db2.gz NBFLGNJYTVAXPQ-XUWVNRHRSA-N 2 1 287.407 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC3CC3)C[C@H]21 ZINC000960346937 613202960 /nfs/dbraw/zinc/20/29/60/613202960.db2.gz NBFLGNJYTVAXPQ-XUWVNRHRSA-N 2 1 287.407 0.540 20 30 CCEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1CCCO)NC1CC1 ZINC000849034444 613220523 /nfs/dbraw/zinc/22/05/23/613220523.db2.gz VTJWKWAMBVRDSN-GFCCVEGCSA-N 2 1 254.378 0.161 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941218442 613262941 /nfs/dbraw/zinc/26/29/41/613262941.db2.gz XRPGDJWSWVEUHO-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218442 613262945 /nfs/dbraw/zinc/26/29/45/613262945.db2.gz XRPGDJWSWVEUHO-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218442 613262947 /nfs/dbraw/zinc/26/29/47/613262947.db2.gz XRPGDJWSWVEUHO-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980244720 613306650 /nfs/dbraw/zinc/30/66/50/613306650.db2.gz YNVADYXVBOXRDY-XHSDSOJGSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961344896 613316331 /nfs/dbraw/zinc/31/63/31/613316331.db2.gz WENBVINMSXQISG-JJXSEGSLSA-N 2 1 287.407 0.540 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592556 613338755 /nfs/dbraw/zinc/33/87/55/613338755.db2.gz RRHPPSNJCSBWFU-UONOGXRCSA-N 2 1 293.411 0.067 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856254796 613365889 /nfs/dbraw/zinc/36/58/89/613365889.db2.gz ZUYZVQSOFPVVGE-CQSZACIVSA-N 2 1 281.400 0.162 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000830554365 613366023 /nfs/dbraw/zinc/36/60/23/613366023.db2.gz YPSQZHGQLHTITE-UHFFFAOYSA-N 2 1 269.389 0.019 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000830554365 613366024 /nfs/dbraw/zinc/36/60/24/613366024.db2.gz YPSQZHGQLHTITE-UHFFFAOYSA-N 2 1 269.389 0.019 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889755049 613366357 /nfs/dbraw/zinc/36/63/57/613366357.db2.gz CXBFLAOAWSJNDG-KBPBESRZSA-N 2 1 281.400 0.162 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000817043242 613366362 /nfs/dbraw/zinc/36/63/62/613366362.db2.gz FANBYAASDIZHOL-AWEZNQCLSA-N 2 1 251.374 0.658 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000923269475 613366505 /nfs/dbraw/zinc/36/65/05/613366505.db2.gz NDQXXQCZTKPYRT-OLZOCXBDSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969945979 613483190 /nfs/dbraw/zinc/48/31/90/613483190.db2.gz ZEQNYVXZWLHRNU-UMVBOHGHSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969945979 613483191 /nfs/dbraw/zinc/48/31/91/613483191.db2.gz ZEQNYVXZWLHRNU-UMVBOHGHSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374654 613547825 /nfs/dbraw/zinc/54/78/25/613547825.db2.gz NUPXANQEPBQJDW-LSDHHAIUSA-N 2 1 295.427 0.313 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958595023 613548964 /nfs/dbraw/zinc/54/89/64/613548964.db2.gz OGFCOGNIOPHWQJ-ZIAGYGMSSA-N 2 1 293.411 0.067 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000962303469 613562747 /nfs/dbraw/zinc/56/27/47/613562747.db2.gz FHDBQUQENKFFOL-TTZDDIAXSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000962303469 613562750 /nfs/dbraw/zinc/56/27/50/613562750.db2.gz FHDBQUQENKFFOL-TTZDDIAXSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000962303469 613562751 /nfs/dbraw/zinc/56/27/51/613562751.db2.gz FHDBQUQENKFFOL-TTZDDIAXSA-N 2 1 277.412 0.951 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000961793238 613632879 /nfs/dbraw/zinc/63/28/79/613632879.db2.gz ZKRIKFFQUGCTMX-FOLVSLTJSA-N 2 1 289.423 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000961793238 613632883 /nfs/dbraw/zinc/63/28/83/613632883.db2.gz ZKRIKFFQUGCTMX-FOLVSLTJSA-N 2 1 289.423 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000961793238 613632888 /nfs/dbraw/zinc/63/28/88/613632888.db2.gz ZKRIKFFQUGCTMX-FOLVSLTJSA-N 2 1 289.423 0.788 20 30 CCEDMP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000895101003 613649966 /nfs/dbraw/zinc/64/99/66/613649966.db2.gz YKNYWTJVRWGCFU-JKSUJKDBSA-N 2 1 280.412 0.994 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977614458 613809278 /nfs/dbraw/zinc/80/92/78/613809278.db2.gz LFYDHZAGNABWKG-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977614458 613809279 /nfs/dbraw/zinc/80/92/79/613809279.db2.gz LFYDHZAGNABWKG-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614458 613809281 /nfs/dbraw/zinc/80/92/81/613809281.db2.gz LFYDHZAGNABWKG-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614458 613809282 /nfs/dbraw/zinc/80/92/82/613809282.db2.gz LFYDHZAGNABWKG-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000844194412 614663676 /nfs/dbraw/zinc/66/36/76/614663676.db2.gz GPDNOVWGFCRENH-QJPTWQEYSA-N 2 1 250.346 0.089 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852854400 615145321 /nfs/dbraw/zinc/14/53/21/615145321.db2.gz HIBLDMUKVQWRSS-AWEZNQCLSA-N 2 1 263.385 0.590 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000913523549 615859564 /nfs/dbraw/zinc/85/95/64/615859564.db2.gz DVQWTPPCPRQWJD-LBPRGKRZSA-N 2 1 251.374 0.540 20 30 CCEDMP CN(C)C(=[NH+]C[C@H]1CCC[N@H+]1CCCO)N(C)C ZINC000849034296 615945157 /nfs/dbraw/zinc/94/51/57/615945157.db2.gz QMDKHVHUXGUHMG-GFCCVEGCSA-N 2 1 256.394 0.312 20 30 CCEDMP CN(C)c1ncc(C=[NH+]NCC[NH+]2CCCCC2)n1C ZINC000811639379 616035635 /nfs/dbraw/zinc/03/56/35/616035635.db2.gz YHVUICPHNIYFSE-UHFFFAOYSA-N 2 1 278.404 0.896 20 30 CCEDMP C[N@@H+]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876805874 616185458 /nfs/dbraw/zinc/18/54/58/616185458.db2.gz GZWUYFYLTVOBPS-MRXNPFEDSA-N 2 1 298.390 0.909 20 30 CCEDMP C[N@H+]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876805874 616185459 /nfs/dbraw/zinc/18/54/59/616185459.db2.gz GZWUYFYLTVOBPS-MRXNPFEDSA-N 2 1 298.390 0.909 20 30 CCEDMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[C@H]21 ZINC000870981004 616326422 /nfs/dbraw/zinc/32/64/22/616326422.db2.gz FDOLUKZCMPRSAC-MGPQQGTHSA-N 2 1 278.400 0.950 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001026044025 625324790 /nfs/dbraw/zinc/32/47/90/625324790.db2.gz JWJDCFKSUUINPA-QSLWVIQJSA-N 2 1 263.385 0.417 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026044025 625324794 /nfs/dbraw/zinc/32/47/94/625324794.db2.gz JWJDCFKSUUINPA-QSLWVIQJSA-N 2 1 263.385 0.417 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026044025 625324796 /nfs/dbraw/zinc/32/47/96/625324796.db2.gz JWJDCFKSUUINPA-QSLWVIQJSA-N 2 1 263.385 0.417 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001022597361 622566891 /nfs/dbraw/zinc/56/68/91/622566891.db2.gz GJGCYGZKZIVFRI-MJBXVCDLSA-N 2 1 281.400 0.518 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001022597361 622566897 /nfs/dbraw/zinc/56/68/97/622566897.db2.gz GJGCYGZKZIVFRI-MJBXVCDLSA-N 2 1 281.400 0.518 20 30 CCEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023292540 622987760 /nfs/dbraw/zinc/98/77/60/622987760.db2.gz WRLXQZYOKWHDBL-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023292540 622987766 /nfs/dbraw/zinc/98/77/66/622987766.db2.gz WRLXQZYOKWHDBL-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292540 622987772 /nfs/dbraw/zinc/98/77/72/622987772.db2.gz WRLXQZYOKWHDBL-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292540 622987781 /nfs/dbraw/zinc/98/77/81/622987781.db2.gz WRLXQZYOKWHDBL-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001024376953 623300148 /nfs/dbraw/zinc/30/01/48/623300148.db2.gz FXXZKQVPKNLLMH-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001024376953 623300155 /nfs/dbraw/zinc/30/01/55/623300155.db2.gz FXXZKQVPKNLLMH-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001024376953 623300159 /nfs/dbraw/zinc/30/01/59/623300159.db2.gz FXXZKQVPKNLLMH-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024376953 623300169 /nfs/dbraw/zinc/30/01/69/623300169.db2.gz FXXZKQVPKNLLMH-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024447606 623323828 /nfs/dbraw/zinc/32/38/28/623323828.db2.gz YNIHEJHKDYSROF-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024447606 623323833 /nfs/dbraw/zinc/32/38/33/623323833.db2.gz YNIHEJHKDYSROF-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024447606 623323838 /nfs/dbraw/zinc/32/38/38/623323838.db2.gz YNIHEJHKDYSROF-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001027417466 625875292 /nfs/dbraw/zinc/87/52/92/625875292.db2.gz ZECRXDSGKPCFMM-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001027417466 625875294 /nfs/dbraw/zinc/87/52/94/625875294.db2.gz ZECRXDSGKPCFMM-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001027417466 625875296 /nfs/dbraw/zinc/87/52/96/625875296.db2.gz ZECRXDSGKPCFMM-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001027690861 630854957 /nfs/dbraw/zinc/85/49/57/630854957.db2.gz JVJUUGBSTNVHPO-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001027690861 630854959 /nfs/dbraw/zinc/85/49/59/630854959.db2.gz JVJUUGBSTNVHPO-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001027690861 630854964 /nfs/dbraw/zinc/85/49/64/630854964.db2.gz JVJUUGBSTNVHPO-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001027690861 630854968 /nfs/dbraw/zinc/85/49/68/630854968.db2.gz JVJUUGBSTNVHPO-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261675360 631432730 /nfs/dbraw/zinc/43/27/30/631432730.db2.gz GOBRWTUXTSJMRV-XQQFMLRXSA-N 2 1 282.432 0.917 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(C)no1 ZINC000261975412 631740299 /nfs/dbraw/zinc/74/02/99/631740299.db2.gz FTLGVCCQVBHOPQ-SNVBAGLBSA-N 2 1 266.349 0.267 20 30 CCEDMP C[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261977796 631740894 /nfs/dbraw/zinc/74/08/94/631740894.db2.gz OBPZAQIHFJWMES-WCQYABFASA-N 2 1 280.416 0.549 20 30 CCEDMP C[NH+]=C(NC[C@H]1CCCS1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000261998356 631747764 /nfs/dbraw/zinc/74/77/64/631747764.db2.gz SWYUQKMWZWRDAI-NWDGAFQWSA-N 2 1 270.446 0.999 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989661314 633340178 /nfs/dbraw/zinc/34/01/78/633340178.db2.gz FYUPDBIOUZSTRL-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989661314 633340181 /nfs/dbraw/zinc/34/01/81/633340181.db2.gz FYUPDBIOUZSTRL-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989661314 633340185 /nfs/dbraw/zinc/34/01/85/633340185.db2.gz FYUPDBIOUZSTRL-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C)CCO3)CCC[C@@H]12 ZINC000990120917 633448603 /nfs/dbraw/zinc/44/86/03/633448603.db2.gz KXOTZLFQKCSEON-SQWLQELKSA-N 2 1 293.411 0.616 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001008539630 650119147 /nfs/dbraw/zinc/11/91/47/650119147.db2.gz LREHTCGUTKXHBA-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008539630 650119148 /nfs/dbraw/zinc/11/91/48/650119148.db2.gz LREHTCGUTKXHBA-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008539630 650119149 /nfs/dbraw/zinc/11/91/49/650119149.db2.gz LREHTCGUTKXHBA-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001009507357 650145636 /nfs/dbraw/zinc/14/56/36/650145636.db2.gz GYXBRKPUFNOEQJ-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009507357 650145638 /nfs/dbraw/zinc/14/56/38/650145638.db2.gz GYXBRKPUFNOEQJ-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009507357 650145641 /nfs/dbraw/zinc/14/56/41/650145641.db2.gz GYXBRKPUFNOEQJ-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010382615 650213060 /nfs/dbraw/zinc/21/30/60/650213060.db2.gz LJMFSRSUBNQDRE-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010382615 650213061 /nfs/dbraw/zinc/21/30/61/650213061.db2.gz LJMFSRSUBNQDRE-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010382615 650213064 /nfs/dbraw/zinc/21/30/64/650213064.db2.gz LJMFSRSUBNQDRE-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001014925136 637087992 /nfs/dbraw/zinc/08/79/92/637087992.db2.gz OPYACUVLOWYOKW-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014925136 637087999 /nfs/dbraw/zinc/08/79/99/637087999.db2.gz OPYACUVLOWYOKW-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014925136 637088005 /nfs/dbraw/zinc/08/80/05/637088005.db2.gz OPYACUVLOWYOKW-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014925136 637088014 /nfs/dbraw/zinc/08/80/14/637088014.db2.gz OPYACUVLOWYOKW-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014925136 637088019 /nfs/dbraw/zinc/08/80/19/637088019.db2.gz OPYACUVLOWYOKW-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC000992497239 637455781 /nfs/dbraw/zinc/45/57/81/637455781.db2.gz ZIAWFJKENXBJHB-GDBMZVCRSA-N 2 1 275.396 0.829 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC000992497239 637455789 /nfs/dbraw/zinc/45/57/89/637455789.db2.gz ZIAWFJKENXBJHB-GDBMZVCRSA-N 2 1 275.396 0.829 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC000996413539 638817985 /nfs/dbraw/zinc/81/79/85/638817985.db2.gz CYSISCUQZOLTMT-CQSZACIVSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616472 638824422 /nfs/dbraw/zinc/82/44/22/638824422.db2.gz SGVDCRZCJASGRC-QWHCGFSZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998586964 638928856 /nfs/dbraw/zinc/92/88/56/638928856.db2.gz SFMVPQRFOWULOG-WXRRBKDZSA-N 2 1 267.373 0.082 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998586964 638928858 /nfs/dbraw/zinc/92/88/58/638928858.db2.gz SFMVPQRFOWULOG-WXRRBKDZSA-N 2 1 267.373 0.082 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001000967628 639202350 /nfs/dbraw/zinc/20/23/50/639202350.db2.gz HKPOAIAHOMSDLI-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001000967628 639202351 /nfs/dbraw/zinc/20/23/51/639202351.db2.gz HKPOAIAHOMSDLI-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001000973442 639203621 /nfs/dbraw/zinc/20/36/21/639203621.db2.gz WDDQELYURSRIJB-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001000973442 639203623 /nfs/dbraw/zinc/20/36/23/639203623.db2.gz WDDQELYURSRIJB-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002118816 639369015 /nfs/dbraw/zinc/36/90/15/639369015.db2.gz VAZPWJFRNPAAHL-CQSZACIVSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003629466 639580958 /nfs/dbraw/zinc/58/09/58/639580958.db2.gz BFAHGWNJKKBUJF-JSGCOSHPSA-N 2 1 263.385 0.398 20 30 CCEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H]1C[NH3+] ZINC000923412404 640128472 /nfs/dbraw/zinc/12/84/72/640128472.db2.gz VSZBSWYLJMTBEF-VHDGCEQUSA-N 2 1 289.379 0.825 20 30 CCEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000801936846 640678513 /nfs/dbraw/zinc/67/85/13/640678513.db2.gz ZQTDQGSHXMSDJZ-ARFHVFGLSA-N 2 1 294.443 0.873 20 30 CCEDMP C[C@H](C#N)OCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000801936846 640678516 /nfs/dbraw/zinc/67/85/16/640678516.db2.gz ZQTDQGSHXMSDJZ-ARFHVFGLSA-N 2 1 294.443 0.873 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015652667 650601326 /nfs/dbraw/zinc/60/13/26/650601326.db2.gz HCMREKBVIRNHBO-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015997408 650672411 /nfs/dbraw/zinc/67/24/11/650672411.db2.gz BXFSJSFOFSDOQG-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015997408 650672414 /nfs/dbraw/zinc/67/24/14/650672414.db2.gz BXFSJSFOFSDOQG-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015997408 650672417 /nfs/dbraw/zinc/67/24/17/650672417.db2.gz BXFSJSFOFSDOQG-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016263288 650707994 /nfs/dbraw/zinc/70/79/94/650707994.db2.gz XIYUZHSUQNNEIG-ZDUSSCGKSA-N 2 1 251.374 0.849 20 30 CCEDMP C[C@H](C#N)OCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830653222 642282253 /nfs/dbraw/zinc/28/22/53/642282253.db2.gz WATSIHRNHMRGFA-CYBMUJFWSA-N 2 1 267.373 0.712 20 30 CCEDMP C[C@H](C#N)OCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830653222 642282261 /nfs/dbraw/zinc/28/22/61/642282261.db2.gz WATSIHRNHMRGFA-CYBMUJFWSA-N 2 1 267.373 0.712 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001016825306 650763732 /nfs/dbraw/zinc/76/37/32/650763732.db2.gz HNZDRKGTOUPVKY-GJZGRUSLSA-N 2 1 289.423 0.932 20 30 CCEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000844194196 643177226 /nfs/dbraw/zinc/17/72/26/643177226.db2.gz BEUHNAUCRYXFRU-WHOHXGKFSA-N 2 1 250.346 0.087 20 30 CCEDMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000848460668 643642981 /nfs/dbraw/zinc/64/29/81/643642981.db2.gz MPZMOUFOOYNLKH-QWHCGFSZSA-N 2 1 266.389 0.998 20 30 CCEDMP C[C@@H]1C[NH+]=C(NCCC[N@H+]2CCCO[C@H](C)C2)N1 ZINC000849022678 643703122 /nfs/dbraw/zinc/70/31/22/643703122.db2.gz QVIDNGJFGUVCAY-VXGBXAGGSA-N 2 1 254.378 0.425 20 30 CCEDMP C[C@H]1CCC[N@@H+](CCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852858695 644027459 /nfs/dbraw/zinc/02/74/59/644027459.db2.gz GFLHISRMNUWTSN-AWEZNQCLSA-N 2 1 277.412 0.838 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001019383740 650967392 /nfs/dbraw/zinc/96/73/92/650967392.db2.gz LUYGJNFJXIDIAM-KBPBESRZSA-N 2 1 286.379 0.578 20 30 CCEDMP Cc1cc[nH+]c(N)c1C=NNC(=S)NCCC[NH+](C)C ZINC000872351656 646250143 /nfs/dbraw/zinc/25/01/43/646250143.db2.gz LLYAUIKUSAKBCA-UHFFFAOYSA-N 2 1 294.428 0.722 20 30 CCEDMP C[C@@H]1C[N@H+](C[C@H](O)CC#N)CCN1c1cc[nH+]cc1 ZINC000931684970 649017033 /nfs/dbraw/zinc/01/70/33/649017033.db2.gz WRXKKHNUWJLYBM-TZMCWYRMSA-N 2 1 260.341 0.867 20 30 CCEDMP C[C@@H]1C[N@@H+](C[C@H](O)CC#N)CCN1c1cc[nH+]cc1 ZINC000931684970 649017036 /nfs/dbraw/zinc/01/70/36/649017036.db2.gz WRXKKHNUWJLYBM-TZMCWYRMSA-N 2 1 260.341 0.867 20 30 CCEDMP CSC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000193300216 649533402 /nfs/dbraw/zinc/53/34/02/649533402.db2.gz XREFQVSHGYZMMB-UHFFFAOYSA-N 2 1 286.445 0.509 20 30 CCEDMP C[NH+]=C(NCc1ccnn1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083134315 649604145 /nfs/dbraw/zinc/60/41/45/649604145.db2.gz CFZWYINSONZJPH-NSHDSACASA-N 2 1 276.388 0.322 20 30 CCEDMP C[NH+]=C(NCc1ccnn1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083134315 649604148 /nfs/dbraw/zinc/60/41/48/649604148.db2.gz CFZWYINSONZJPH-NSHDSACASA-N 2 1 276.388 0.322 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303722459 649824511 /nfs/dbraw/zinc/82/45/11/649824511.db2.gz YFGRALZJRVJNPZ-GFCCVEGCSA-N 2 1 256.394 0.802 20 30 CCEDMP C=C(C)CNC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303776136 649824607 /nfs/dbraw/zinc/82/46/07/649824607.db2.gz HNKLHSHEXOBKHE-BETUJISGSA-N 2 1 268.405 0.966 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[NH+](C)C1CC1 ZINC000303979482 649827621 /nfs/dbraw/zinc/82/76/21/649827621.db2.gz NGSIDLFFJVKVTF-GXTWGEPZSA-N 3 1 281.448 0.858 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000303979482 649827622 /nfs/dbraw/zinc/82/76/22/649827622.db2.gz NGSIDLFFJVKVTF-GXTWGEPZSA-N 3 1 281.448 0.858 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000303979482 649827623 /nfs/dbraw/zinc/82/76/23/649827623.db2.gz NGSIDLFFJVKVTF-GXTWGEPZSA-N 3 1 281.448 0.858 20 30 CCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)N(C)C1CC1 ZINC000303979482 649827624 /nfs/dbraw/zinc/82/76/24/649827624.db2.gz NGSIDLFFJVKVTF-GXTWGEPZSA-N 2 1 281.448 0.858 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)N(C)C1CC1 ZINC000303979482 649827625 /nfs/dbraw/zinc/82/76/25/649827625.db2.gz NGSIDLFFJVKVTF-GXTWGEPZSA-N 2 1 281.448 0.858 20 30 CCEDMP COCC#CC[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230373829 805598315 /nfs/dbraw/zinc/59/83/15/805598315.db2.gz BPLHQBXPYSCPSF-UHFFFAOYSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001266412001 790656983 /nfs/dbraw/zinc/65/69/83/790656983.db2.gz JZAVNPSDYBQPNZ-HNNXBMFYSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001266549680 790912582 /nfs/dbraw/zinc/91/25/82/790912582.db2.gz BIYVZMMZCXYLHW-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001277476140 805702489 /nfs/dbraw/zinc/70/24/89/805702489.db2.gz ODVLOKHMZLMQMO-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CCOC[C@@H](O)CNC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245985089 807106406 /nfs/dbraw/zinc/10/64/06/807106406.db2.gz KWIHUIGRUJXIOL-KBPBESRZSA-N 2 1 283.416 0.014 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001267034288 791465219 /nfs/dbraw/zinc/46/52/19/791465219.db2.gz GQIVYKJFXAJAEY-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001267034288 791465224 /nfs/dbraw/zinc/46/52/24/791465224.db2.gz GQIVYKJFXAJAEY-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167627280 791654576 /nfs/dbraw/zinc/65/45/76/791654576.db2.gz NQNQISAFIRTOIR-CQSZACIVSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001267233043 791713955 /nfs/dbraw/zinc/71/39/55/791713955.db2.gz PDWQWTKBGMSISL-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001267233043 791713960 /nfs/dbraw/zinc/71/39/60/791713960.db2.gz PDWQWTKBGMSISL-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001277937808 806409003 /nfs/dbraw/zinc/40/90/03/806409003.db2.gz JAJBVPRDIPNEGB-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C[NH+](C)CCN1CC2(C1)CC[NH+](CCC#N)CC2 ZINC001277939579 806412117 /nfs/dbraw/zinc/41/21/17/806412117.db2.gz XXVBTVNVCIIOAE-UHFFFAOYSA-N 2 1 250.390 0.859 20 30 CCEDMP N#Cc1cccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235990857 806522710 /nfs/dbraw/zinc/52/27/10/806522710.db2.gz AVGIYHZYKQDBPK-YIONKMFJSA-N 2 1 257.337 0.964 20 30 CCEDMP N#Cc1cccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235990857 806522716 /nfs/dbraw/zinc/52/27/16/806522716.db2.gz AVGIYHZYKQDBPK-YIONKMFJSA-N 2 1 257.337 0.964 20 30 CCEDMP C#CC[NH2+]CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001121915213 799092160 /nfs/dbraw/zinc/09/21/60/799092160.db2.gz BZTYGFFZXMXWNS-UHFFFAOYSA-N 2 1 259.353 0.952 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC001121928370 799096811 /nfs/dbraw/zinc/09/68/11/799096811.db2.gz NXMPVWFOMTWEMK-GJZGRUSLSA-N 2 1 296.459 0.670 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC001141196638 799990159 /nfs/dbraw/zinc/99/01/59/799990159.db2.gz JJAFGPSHHLJNBZ-CABCVRRESA-N 2 1 275.396 0.494 20 30 CCEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242072 800325427 /nfs/dbraw/zinc/32/54/27/800325427.db2.gz UPKREZLSGFFLJE-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150481231 800337435 /nfs/dbraw/zinc/33/74/35/800337435.db2.gz WNPZCYKQGULKAI-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715824 800361797 /nfs/dbraw/zinc/36/17/97/800361797.db2.gz MQCDDEYOCRRRLS-OAHLLOKOSA-N 2 1 293.411 0.313 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151141649 800404412 /nfs/dbraw/zinc/40/44/12/800404412.db2.gz XJMKMDCSIZEQGA-UHFFFAOYSA-N 2 1 256.737 0.650 20 30 CCEDMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001151140789 800404614 /nfs/dbraw/zinc/40/46/14/800404614.db2.gz GOHRUPLLFLZORU-UHFFFAOYSA-N 2 1 297.362 0.969 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151748435 800453764 /nfs/dbraw/zinc/45/37/64/800453764.db2.gz FKVLTWJCMGNEHY-LLVKDONJSA-N 2 1 275.780 0.165 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151748435 800453766 /nfs/dbraw/zinc/45/37/66/800453766.db2.gz FKVLTWJCMGNEHY-LLVKDONJSA-N 2 1 275.780 0.165 20 30 CCEDMP C#CC[NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001153314249 800619903 /nfs/dbraw/zinc/61/99/03/800619903.db2.gz GXZJXGUMPAVVGG-UHFFFAOYSA-N 2 1 259.353 0.457 20 30 CCEDMP C#CC[NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001153314249 800619907 /nfs/dbraw/zinc/61/99/07/800619907.db2.gz GXZJXGUMPAVVGG-UHFFFAOYSA-N 2 1 259.353 0.457 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCO ZINC001153868302 800682325 /nfs/dbraw/zinc/68/23/25/800682325.db2.gz QJXDBKGNKRCZRT-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCO ZINC001153868302 800682330 /nfs/dbraw/zinc/68/23/30/800682330.db2.gz QJXDBKGNKRCZRT-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCO ZINC001153868302 800682335 /nfs/dbraw/zinc/68/23/35/800682335.db2.gz QJXDBKGNKRCZRT-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCO ZINC001153868302 800682340 /nfs/dbraw/zinc/68/23/40/800682340.db2.gz QJXDBKGNKRCZRT-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005808 800891238 /nfs/dbraw/zinc/89/12/38/800891238.db2.gz SUQBYRUAMCGLEI-CQSZACIVSA-N 2 1 285.432 0.967 20 30 CCEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156884298 801253377 /nfs/dbraw/zinc/25/33/77/801253377.db2.gz XRJLFGPHZZBGRW-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156884298 801253379 /nfs/dbraw/zinc/25/33/79/801253379.db2.gz XRJLFGPHZZBGRW-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156884298 801253387 /nfs/dbraw/zinc/25/33/87/801253387.db2.gz XRJLFGPHZZBGRW-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890283 801254719 /nfs/dbraw/zinc/25/47/19/801254719.db2.gz LCKQXSSATCKTDQ-CABCVRRESA-N 2 1 297.443 0.967 20 30 CCEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890283 801254724 /nfs/dbraw/zinc/25/47/24/801254724.db2.gz LCKQXSSATCKTDQ-CABCVRRESA-N 2 1 297.443 0.967 20 30 CCEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890283 801254728 /nfs/dbraw/zinc/25/47/28/801254728.db2.gz LCKQXSSATCKTDQ-CABCVRRESA-N 2 1 297.443 0.967 20 30 CCEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157013797 801288535 /nfs/dbraw/zinc/28/85/35/801288535.db2.gz LYCSWWJRBUNTLC-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157013797 801288536 /nfs/dbraw/zinc/28/85/36/801288536.db2.gz LYCSWWJRBUNTLC-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001157013797 801288540 /nfs/dbraw/zinc/28/85/40/801288540.db2.gz LYCSWWJRBUNTLC-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001157013797 801288543 /nfs/dbraw/zinc/28/85/43/801288543.db2.gz LYCSWWJRBUNTLC-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158029753 801556329 /nfs/dbraw/zinc/55/63/29/801556329.db2.gz KXBCWIONYNLHCO-ZIAGYGMSSA-N 2 1 263.385 0.590 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486810 801658673 /nfs/dbraw/zinc/65/86/73/801658673.db2.gz RUYATQJHXURCAF-CHWSQXEVSA-N 2 1 267.373 0.132 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001159327473 801792892 /nfs/dbraw/zinc/79/28/92/801792892.db2.gz LPRYMKYAAQSBLN-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163940989 802637912 /nfs/dbraw/zinc/63/79/12/802637912.db2.gz VETKUHIIRILSOO-AWEZNQCLSA-N 2 1 295.427 0.769 20 30 CCEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940989 802637915 /nfs/dbraw/zinc/63/79/15/802637915.db2.gz VETKUHIIRILSOO-AWEZNQCLSA-N 2 1 295.427 0.769 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164574292 802767957 /nfs/dbraw/zinc/76/79/57/802767957.db2.gz GEHKCNWRVRCJPL-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203699320 803042779 /nfs/dbraw/zinc/04/27/79/803042779.db2.gz IEIKHCIYPAXDBF-CQSZACIVSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204883504 803109128 /nfs/dbraw/zinc/10/91/28/803109128.db2.gz RMWDDXHORKOMFM-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204883504 803109130 /nfs/dbraw/zinc/10/91/30/803109130.db2.gz RMWDDXHORKOMFM-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)nc1 ZINC001205228583 803127864 /nfs/dbraw/zinc/12/78/64/803127864.db2.gz GGXMXRSNZUBGDM-AWEZNQCLSA-N 2 1 260.341 0.629 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205516028 803146168 /nfs/dbraw/zinc/14/61/68/803146168.db2.gz LHTFYLOVBXNWHO-UKRRQHHQSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205516028 803146171 /nfs/dbraw/zinc/14/61/71/803146171.db2.gz LHTFYLOVBXNWHO-UKRRQHHQSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207263322 803374815 /nfs/dbraw/zinc/37/48/15/803374815.db2.gz QYLZVTULBSJSRG-HZSPNIEDSA-N 2 1 283.391 0.736 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207263322 803374819 /nfs/dbraw/zinc/37/48/19/803374819.db2.gz QYLZVTULBSJSRG-HZSPNIEDSA-N 2 1 283.391 0.736 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208571464 803524427 /nfs/dbraw/zinc/52/44/27/803524427.db2.gz DQOWADCTCIVNJG-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211369839 803677596 /nfs/dbraw/zinc/67/75/96/803677596.db2.gz QVKOODCUBCHGHY-HUUCEWRRSA-N 2 1 295.427 0.413 20 30 CCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211369839 803677597 /nfs/dbraw/zinc/67/75/97/803677597.db2.gz QVKOODCUBCHGHY-HUUCEWRRSA-N 2 1 295.427 0.413 20 30 CCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211369839 803677599 /nfs/dbraw/zinc/67/75/99/803677599.db2.gz QVKOODCUBCHGHY-HUUCEWRRSA-N 2 1 295.427 0.413 20 30 CCEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001276705569 803704043 /nfs/dbraw/zinc/70/40/43/803704043.db2.gz ZBAHGTXOQIGHQJ-OLZOCXBDSA-N 2 1 251.374 0.609 20 30 CCEDMP C[N@H+]1[C@@H]2C[C@@H](OC[C@H]3CCC[NH2+]C3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001217879158 803923079 /nfs/dbraw/zinc/92/30/79/803923079.db2.gz OMOHBFXMBWHGBN-ARFNZGECSA-N 2 1 252.358 0.615 20 30 CCEDMP C[N@@H+]1[C@@H]2C[C@@H](OC[C@H]3CCC[NH2+]C3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001217879158 803923081 /nfs/dbraw/zinc/92/30/81/803923081.db2.gz OMOHBFXMBWHGBN-ARFNZGECSA-N 2 1 252.358 0.615 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026579 814980627 /nfs/dbraw/zinc/98/06/27/814980627.db2.gz PVTUMSXXINXENA-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026579 814980630 /nfs/dbraw/zinc/98/06/30/814980630.db2.gz PVTUMSXXINXENA-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212026579 814980632 /nfs/dbraw/zinc/98/06/32/814980632.db2.gz PVTUMSXXINXENA-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212026579 814980636 /nfs/dbraw/zinc/98/06/36/814980636.db2.gz PVTUMSXXINXENA-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP N#Cc1[nH]cnc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218596108 804027890 /nfs/dbraw/zinc/02/78/90/804027890.db2.gz VCCDBAZRDVMMMD-QMMMGPOBSA-N 2 1 250.306 0.066 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357952 804285976 /nfs/dbraw/zinc/28/59/76/804285976.db2.gz RJCLKTFIJHZAFI-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357952 804285981 /nfs/dbraw/zinc/28/59/81/804285981.db2.gz RJCLKTFIJHZAFI-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357952 804285987 /nfs/dbraw/zinc/28/59/87/804285987.db2.gz RJCLKTFIJHZAFI-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357952 804285993 /nfs/dbraw/zinc/28/59/93/804285993.db2.gz RJCLKTFIJHZAFI-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798714 804425549 /nfs/dbraw/zinc/42/55/49/804425549.db2.gz QXULYPYYQJMDTL-OLZOCXBDSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351787 804581610 /nfs/dbraw/zinc/58/16/10/804581610.db2.gz IUXDHXJPFHDRCO-ZNMIVQPWSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351787 804581615 /nfs/dbraw/zinc/58/16/15/804581615.db2.gz IUXDHXJPFHDRCO-ZNMIVQPWSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351787 804581621 /nfs/dbraw/zinc/58/16/21/804581621.db2.gz IUXDHXJPFHDRCO-ZNMIVQPWSA-N 2 1 295.427 0.598 20 30 CCEDMP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220596660 804634941 /nfs/dbraw/zinc/63/49/41/804634941.db2.gz DCMROEOESSRACJ-QWHCGFSZSA-N 2 1 258.325 0.338 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976436 804712642 /nfs/dbraw/zinc/71/26/42/804712642.db2.gz ZGVVSYQLJRFDKT-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976436 804712648 /nfs/dbraw/zinc/71/26/48/804712648.db2.gz ZGVVSYQLJRFDKT-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220976436 804712652 /nfs/dbraw/zinc/71/26/52/804712652.db2.gz ZGVVSYQLJRFDKT-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093438 804729757 /nfs/dbraw/zinc/72/97/57/804729757.db2.gz NAJTZVADJWFSBY-KFWWJZLASA-N 2 1 297.443 0.843 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093438 804729759 /nfs/dbraw/zinc/72/97/59/804729759.db2.gz NAJTZVADJWFSBY-KFWWJZLASA-N 2 1 297.443 0.843 20 30 CCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093438 804729761 /nfs/dbraw/zinc/72/97/61/804729761.db2.gz NAJTZVADJWFSBY-KFWWJZLASA-N 2 1 297.443 0.843 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154138 804737904 /nfs/dbraw/zinc/73/79/04/804737904.db2.gz CYVMTLVTMOCOKR-CABCVRRESA-N 2 1 295.427 0.600 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154138 804737912 /nfs/dbraw/zinc/73/79/12/804737912.db2.gz CYVMTLVTMOCOKR-CABCVRRESA-N 2 1 295.427 0.600 20 30 CCEDMP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001276821948 804797705 /nfs/dbraw/zinc/79/77/05/804797705.db2.gz VSMFNDPTMAMDEX-ZIAGYGMSSA-N 2 1 283.416 0.718 20 30 CCEDMP C#CC[NH+](C)CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001272178306 815037494 /nfs/dbraw/zinc/03/74/94/815037494.db2.gz GRMQTPJEFGISQJ-OKILXGFUSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[NH+](C)CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001272178306 815037501 /nfs/dbraw/zinc/03/75/01/815037501.db2.gz GRMQTPJEFGISQJ-OKILXGFUSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001272178306 815037507 /nfs/dbraw/zinc/03/75/07/815037507.db2.gz GRMQTPJEFGISQJ-OKILXGFUSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001272178306 815037511 /nfs/dbraw/zinc/03/75/11/815037511.db2.gz GRMQTPJEFGISQJ-OKILXGFUSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791505 804845813 /nfs/dbraw/zinc/84/58/13/804845813.db2.gz OYQDOQVCOGGAGO-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001276876482 804961754 /nfs/dbraw/zinc/96/17/54/804961754.db2.gz UIRIAGRYROCRBW-AWEZNQCLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001276876482 804961757 /nfs/dbraw/zinc/96/17/57/804961757.db2.gz UIRIAGRYROCRBW-AWEZNQCLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001276946660 805008584 /nfs/dbraw/zinc/00/85/84/805008584.db2.gz ARTUTLHINSZKSH-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001276946660 805008594 /nfs/dbraw/zinc/00/85/94/805008594.db2.gz ARTUTLHINSZKSH-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001276946660 805008598 /nfs/dbraw/zinc/00/85/98/805008598.db2.gz ARTUTLHINSZKSH-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246020419 807121118 /nfs/dbraw/zinc/12/11/18/807121118.db2.gz LBCKIMOGVSLWBG-STQMWFEESA-N 2 1 258.337 0.150 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246034631 807128354 /nfs/dbraw/zinc/12/83/54/807128354.db2.gz XULGMPLAOKCBLV-KBPBESRZSA-N 2 1 252.358 0.215 20 30 CCEDMP C#CCOC[C@@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246034631 807128356 /nfs/dbraw/zinc/12/83/56/807128356.db2.gz XULGMPLAOKCBLV-KBPBESRZSA-N 2 1 252.358 0.215 20 30 CCEDMP C#CCOC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001251854587 807721664 /nfs/dbraw/zinc/72/16/64/807721664.db2.gz HNXMDZDCEPAWCU-UONOGXRCSA-N 2 1 252.358 0.025 20 30 CCEDMP C#CCOC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001251854587 807721667 /nfs/dbraw/zinc/72/16/67/807721667.db2.gz HNXMDZDCEPAWCU-UONOGXRCSA-N 2 1 252.358 0.025 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001251854587 807721670 /nfs/dbraw/zinc/72/16/70/807721670.db2.gz HNXMDZDCEPAWCU-UONOGXRCSA-N 2 1 252.358 0.025 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473290 815143940 /nfs/dbraw/zinc/14/39/40/815143940.db2.gz SWAFVCUAOCSKKN-SYQHCUMBSA-N 2 1 281.400 0.064 20 30 CCEDMP C=C[C@H](O)C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001253578012 808085505 /nfs/dbraw/zinc/08/55/05/808085505.db2.gz TVZLHBVOEBCJCA-NSHDSACASA-N 2 1 253.346 0.663 20 30 CCEDMP C=C[C@@H](O)C[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001253588158 808093140 /nfs/dbraw/zinc/09/31/40/808093140.db2.gz SZODPZPFQAEFFI-OAHLLOKOSA-N 2 1 267.417 0.493 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278877371 808416888 /nfs/dbraw/zinc/41/68/88/808416888.db2.gz HLQGXUFHBHOMQC-GFCCVEGCSA-N 2 1 269.389 0.066 20 30 CCEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)CN1CC[NH+](C)CC1 ZINC001261458526 808983955 /nfs/dbraw/zinc/98/39/55/808983955.db2.gz BRDHCTTWKXCYSV-UONOGXRCSA-N 2 1 295.431 0.007 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076457582 815298777 /nfs/dbraw/zinc/29/87/77/815298777.db2.gz JIOXDDJVMDGNHB-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CCN1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001263812180 809574821 /nfs/dbraw/zinc/57/48/21/809574821.db2.gz IOKYGWXMELIXLK-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001076462083 815300747 /nfs/dbraw/zinc/30/07/47/815300747.db2.gz HMVTVPJQXQOSMO-GXTWGEPZSA-N 2 1 274.368 0.681 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1OCC ZINC001264539082 809662437 /nfs/dbraw/zinc/66/24/37/809662437.db2.gz VJRITIXXANBSQR-HUUCEWRRSA-N 2 1 295.427 0.413 20 30 CCEDMP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266096711 809935616 /nfs/dbraw/zinc/93/56/16/809935616.db2.gz JDJORPUFIQPZFR-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266096711 809935621 /nfs/dbraw/zinc/93/56/21/809935621.db2.gz JDJORPUFIQPZFR-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001266096711 809935627 /nfs/dbraw/zinc/93/56/27/809935627.db2.gz JDJORPUFIQPZFR-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001266096711 809935633 /nfs/dbraw/zinc/93/56/33/809935633.db2.gz JDJORPUFIQPZFR-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001279531059 809985586 /nfs/dbraw/zinc/98/55/86/809985586.db2.gz YXNWYEJMILATEU-MRXNPFEDSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001279531059 809985591 /nfs/dbraw/zinc/98/55/91/809985591.db2.gz YXNWYEJMILATEU-MRXNPFEDSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001267305342 811125553 /nfs/dbraw/zinc/12/55/53/811125553.db2.gz JZIFAHODDIJDKZ-CYBMUJFWSA-N 2 1 260.341 0.263 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001267305342 811125558 /nfs/dbraw/zinc/12/55/58/811125558.db2.gz JZIFAHODDIJDKZ-CYBMUJFWSA-N 2 1 260.341 0.263 20 30 CCEDMP CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001076987212 815428404 /nfs/dbraw/zinc/42/84/04/815428404.db2.gz GTIOQAJEDPGRDP-RBSFLKMASA-N 2 1 293.411 0.044 20 30 CCEDMP CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001076987211 815428500 /nfs/dbraw/zinc/42/85/00/815428500.db2.gz GTIOQAJEDPGRDP-QLFBSQMISA-N 2 1 293.411 0.044 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001267694130 811658630 /nfs/dbraw/zinc/65/86/30/811658630.db2.gz BKIFVMCZKREVTQ-UHFFFAOYSA-N 2 1 281.400 0.333 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001267701454 811665395 /nfs/dbraw/zinc/66/53/95/811665395.db2.gz TWRPULUVFYYOOD-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267948849 811883525 /nfs/dbraw/zinc/88/35/25/811883525.db2.gz WLILSTAOUOSXQI-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCOC ZINC001268068965 812183761 /nfs/dbraw/zinc/18/37/61/812183761.db2.gz QMTACYDCVJALEY-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCOC ZINC001268068965 812183764 /nfs/dbraw/zinc/18/37/64/812183764.db2.gz QMTACYDCVJALEY-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000385677145 812224300 /nfs/dbraw/zinc/22/43/00/812224300.db2.gz CCWJWYVBJYTZNI-QWHCGFSZSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000385677145 812224305 /nfs/dbraw/zinc/22/43/05/812224305.db2.gz CCWJWYVBJYTZNI-QWHCGFSZSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075613744 812403108 /nfs/dbraw/zinc/40/31/08/812403108.db2.gz NXCMSUOLKFMUGY-MELADBBJSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075613744 812403111 /nfs/dbraw/zinc/40/31/11/812403111.db2.gz NXCMSUOLKFMUGY-MELADBBJSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075613744 812403116 /nfs/dbraw/zinc/40/31/16/812403116.db2.gz NXCMSUOLKFMUGY-MELADBBJSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075613744 812403119 /nfs/dbraw/zinc/40/31/19/812403119.db2.gz NXCMSUOLKFMUGY-MELADBBJSA-N 2 1 261.369 0.247 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268303647 812467341 /nfs/dbraw/zinc/46/73/41/812467341.db2.gz BQXGBTFIKHYRDE-CHWSQXEVSA-N 2 1 269.389 0.112 20 30 CCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028312034 812611003 /nfs/dbraw/zinc/61/10/03/812611003.db2.gz AQLLWOYAZGZAHP-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028312034 812611008 /nfs/dbraw/zinc/61/10/08/812611008.db2.gz AQLLWOYAZGZAHP-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028312034 812611012 /nfs/dbraw/zinc/61/10/12/812611012.db2.gz AQLLWOYAZGZAHP-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCF)C1 ZINC001028600678 812955441 /nfs/dbraw/zinc/95/54/41/812955441.db2.gz BOAMICWWAXXXGN-CABCVRRESA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCF)C1 ZINC001028600678 812955445 /nfs/dbraw/zinc/95/54/45/812955445.db2.gz BOAMICWWAXXXGN-CABCVRRESA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCF)C1 ZINC001028600678 812955450 /nfs/dbraw/zinc/95/54/50/812955450.db2.gz BOAMICWWAXXXGN-CABCVRRESA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCF)C1 ZINC001028600678 812955451 /nfs/dbraw/zinc/95/54/51/812955451.db2.gz BOAMICWWAXXXGN-CABCVRRESA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCF)C1 ZINC001028600678 812955458 /nfs/dbraw/zinc/95/54/58/812955458.db2.gz BOAMICWWAXXXGN-CABCVRRESA-N 2 1 295.402 0.882 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268700046 813018882 /nfs/dbraw/zinc/01/88/82/813018882.db2.gz CVNWBCITSVJLDO-GXTWGEPZSA-N 2 1 288.395 0.872 20 30 CCEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268752427 813062625 /nfs/dbraw/zinc/06/26/25/813062625.db2.gz NNBYHXFPMPJRFS-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268752427 813062633 /nfs/dbraw/zinc/06/26/33/813062633.db2.gz NNBYHXFPMPJRFS-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268752427 813062637 /nfs/dbraw/zinc/06/26/37/813062637.db2.gz NNBYHXFPMPJRFS-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP COCC#CCN1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001269142907 813238421 /nfs/dbraw/zinc/23/84/21/813238421.db2.gz OSBGLYRGGLBVFP-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP COCC#CCN1CC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001269142907 813238424 /nfs/dbraw/zinc/23/84/24/813238424.db2.gz OSBGLYRGGLBVFP-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001269268542 813299042 /nfs/dbraw/zinc/29/90/42/813299042.db2.gz NCTRBBMMCCZSAZ-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP COCC#CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001269544342 813410273 /nfs/dbraw/zinc/41/02/73/813410273.db2.gz CBNGJEFVUQPYTN-UHFFFAOYSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028986935 813726797 /nfs/dbraw/zinc/72/67/97/813726797.db2.gz VBXZQRRPZQVZDS-CHWSQXEVSA-N 2 1 251.374 0.562 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028986935 813726800 /nfs/dbraw/zinc/72/68/00/813726800.db2.gz VBXZQRRPZQVZDS-CHWSQXEVSA-N 2 1 251.374 0.562 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028986935 813726805 /nfs/dbraw/zinc/72/68/05/813726805.db2.gz VBXZQRRPZQVZDS-CHWSQXEVSA-N 2 1 251.374 0.562 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992172 814305719 /nfs/dbraw/zinc/30/57/19/814305719.db2.gz HKKQIICNIRVJNU-CABCVRRESA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106040 814410647 /nfs/dbraw/zinc/41/06/47/814410647.db2.gz LGCCEXDJYJSPOV-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106040 814410652 /nfs/dbraw/zinc/41/06/52/814410652.db2.gz LGCCEXDJYJSPOV-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106040 814410657 /nfs/dbraw/zinc/41/06/57/814410657.db2.gz LGCCEXDJYJSPOV-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001271548035 814473814 /nfs/dbraw/zinc/47/38/14/814473814.db2.gz AQNPSHFIGFMDKK-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001271816141 814591896 /nfs/dbraw/zinc/59/18/96/814591896.db2.gz WFQLCMYETDHUIH-UONOGXRCSA-N 2 1 265.401 0.834 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083644388 815590954 /nfs/dbraw/zinc/59/09/54/815590954.db2.gz DVHCRKKWSWFGKW-KGLIPLIRSA-N 2 1 286.335 0.295 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083644388 815590957 /nfs/dbraw/zinc/59/09/57/815590957.db2.gz DVHCRKKWSWFGKW-KGLIPLIRSA-N 2 1 286.335 0.295 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001030321978 815976638 /nfs/dbraw/zinc/97/66/38/815976638.db2.gz QZEVAKUQSNKHBZ-CQSZACIVSA-N 2 1 263.385 0.705 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038832 816220964 /nfs/dbraw/zinc/22/09/64/816220964.db2.gz MQUTTYBFQNBCLQ-RDBSUJKOSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001089038832 816220970 /nfs/dbraw/zinc/22/09/70/816220970.db2.gz MQUTTYBFQNBCLQ-RDBSUJKOSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001089038832 816220977 /nfs/dbraw/zinc/22/09/77/816220977.db2.gz MQUTTYBFQNBCLQ-RDBSUJKOSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168425698 816243883 /nfs/dbraw/zinc/24/38/83/816243883.db2.gz SCVOZLXWZNVZIW-UHFFFAOYSA-N 2 1 269.389 0.381 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](C)OC)C1 ZINC001031740682 817304685 /nfs/dbraw/zinc/30/46/85/817304685.db2.gz IMCGLFYERKLIHO-ZFWWWQNUSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](C)OC)C1 ZINC001031740682 817304690 /nfs/dbraw/zinc/30/46/90/817304690.db2.gz IMCGLFYERKLIHO-ZFWWWQNUSA-N 2 1 293.411 0.167 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780913 817630651 /nfs/dbraw/zinc/63/06/51/817630651.db2.gz OVHFAVLYIHRBKR-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780913 817630656 /nfs/dbraw/zinc/63/06/56/817630656.db2.gz OVHFAVLYIHRBKR-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780913 817630664 /nfs/dbraw/zinc/63/06/64/817630664.db2.gz OVHFAVLYIHRBKR-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128834 817656738 /nfs/dbraw/zinc/65/67/38/817656738.db2.gz LGFHPTXPRVOOJD-LSDHHAIUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001032315124 817847264 /nfs/dbraw/zinc/84/72/64/817847264.db2.gz BBWBZSDZRNRPMQ-MELADBBJSA-N 2 1 261.369 0.389 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001032315124 817847267 /nfs/dbraw/zinc/84/72/67/817847267.db2.gz BBWBZSDZRNRPMQ-MELADBBJSA-N 2 1 261.369 0.389 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001032315124 817847269 /nfs/dbraw/zinc/84/72/69/817847269.db2.gz BBWBZSDZRNRPMQ-MELADBBJSA-N 2 1 261.369 0.389 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001032315124 817847272 /nfs/dbraw/zinc/84/72/72/817847272.db2.gz BBWBZSDZRNRPMQ-MELADBBJSA-N 2 1 261.369 0.389 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212461378 818134002 /nfs/dbraw/zinc/13/40/02/818134002.db2.gz XHWPALGVYAMPQP-JHJVBQTASA-N 2 1 269.389 0.328 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212461378 818134007 /nfs/dbraw/zinc/13/40/07/818134007.db2.gz XHWPALGVYAMPQP-JHJVBQTASA-N 2 1 269.389 0.328 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212486937 818199871 /nfs/dbraw/zinc/19/98/71/818199871.db2.gz KPHVOVSJECGTEE-ZIAGYGMSSA-N 2 1 295.427 0.555 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212486937 818199873 /nfs/dbraw/zinc/19/98/73/818199873.db2.gz KPHVOVSJECGTEE-ZIAGYGMSSA-N 2 1 295.427 0.555 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212486937 818199876 /nfs/dbraw/zinc/19/98/76/818199876.db2.gz KPHVOVSJECGTEE-ZIAGYGMSSA-N 2 1 295.427 0.555 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212486937 818199879 /nfs/dbraw/zinc/19/98/79/818199879.db2.gz KPHVOVSJECGTEE-ZIAGYGMSSA-N 2 1 295.427 0.555 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082580 818499417 /nfs/dbraw/zinc/49/94/17/818499417.db2.gz SAZKBDDUPRCOPH-GJZGRUSLSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033534738 818820979 /nfs/dbraw/zinc/82/09/79/818820979.db2.gz XGHZWZIZFQRIOP-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033534738 818820984 /nfs/dbraw/zinc/82/09/84/818820984.db2.gz XGHZWZIZFQRIOP-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001033704735 818892696 /nfs/dbraw/zinc/89/26/96/818892696.db2.gz ZIROTVWTMUXUHC-CYBMUJFWSA-N 2 1 262.357 0.992 20 30 CCEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034528773 819231773 /nfs/dbraw/zinc/23/17/73/819231773.db2.gz QVTFSNVDRTTWQZ-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034528773 819231780 /nfs/dbraw/zinc/23/17/80/819231780.db2.gz QVTFSNVDRTTWQZ-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001034611169 819260597 /nfs/dbraw/zinc/26/05/97/819260597.db2.gz IMRWULBNIMVKIW-MGPQQGTHSA-N 2 1 263.385 0.731 20 30 CCEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001034614433 819260647 /nfs/dbraw/zinc/26/06/47/819260647.db2.gz PTOOQUORLMLVTG-IHRRRGAJSA-N 2 1 281.400 0.520 20 30 CCEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001034614433 819260653 /nfs/dbraw/zinc/26/06/53/819260653.db2.gz PTOOQUORLMLVTG-IHRRRGAJSA-N 2 1 281.400 0.520 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001034616909 819262731 /nfs/dbraw/zinc/26/27/31/819262731.db2.gz FSLHGSNVMVPEHI-RBSFLKMASA-N 2 1 295.427 0.910 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001034616909 819262740 /nfs/dbraw/zinc/26/27/40/819262740.db2.gz FSLHGSNVMVPEHI-RBSFLKMASA-N 2 1 295.427 0.910 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710832981 819847430 /nfs/dbraw/zinc/84/74/30/819847430.db2.gz JXISIWLVPVZYSB-UHFFFAOYSA-N 2 1 270.377 0.449 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349649 821276971 /nfs/dbraw/zinc/27/69/71/821276971.db2.gz UQSJUMMSCIAOST-OWCLPIDISA-N 2 1 287.407 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349649 821276976 /nfs/dbraw/zinc/27/69/76/821276976.db2.gz UQSJUMMSCIAOST-OWCLPIDISA-N 2 1 287.407 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001084661975 821341860 /nfs/dbraw/zinc/34/18/60/821341860.db2.gz QBADIAIMLFRZPK-RBSFLKMASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001084661975 821341867 /nfs/dbraw/zinc/34/18/67/821341867.db2.gz QBADIAIMLFRZPK-RBSFLKMASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001084661975 821341879 /nfs/dbraw/zinc/34/18/79/821341879.db2.gz QBADIAIMLFRZPK-RBSFLKMASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001084661975 821341887 /nfs/dbraw/zinc/34/18/87/821341887.db2.gz QBADIAIMLFRZPK-RBSFLKMASA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778282 821389021 /nfs/dbraw/zinc/38/90/21/821389021.db2.gz OKVNTKHDXSAVGN-HUUCEWRRSA-N 2 1 287.407 0.638 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778282 821389028 /nfs/dbraw/zinc/38/90/28/821389028.db2.gz OKVNTKHDXSAVGN-HUUCEWRRSA-N 2 1 287.407 0.638 20 30 CCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144441 822323779 /nfs/dbraw/zinc/32/37/79/822323779.db2.gz CJTGTBYUDXRCBW-NSHDSACASA-N 2 1 275.780 0.165 20 30 CCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144441 822323789 /nfs/dbraw/zinc/32/37/89/822323789.db2.gz CJTGTBYUDXRCBW-NSHDSACASA-N 2 1 275.780 0.165 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129423857 837505086 /nfs/dbraw/zinc/50/50/86/837505086.db2.gz XWAKHICFTKTFLL-CYBMUJFWSA-N 2 1 292.383 0.669 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001129770797 837557654 /nfs/dbraw/zinc/55/76/54/837557654.db2.gz KZFIAMSJNNOIKB-GJZGRUSLSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001129770797 837557662 /nfs/dbraw/zinc/55/76/62/837557662.db2.gz KZFIAMSJNNOIKB-GJZGRUSLSA-N 2 1 293.411 0.359 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130187069 837717964 /nfs/dbraw/zinc/71/79/64/837717964.db2.gz OECRUOLAAAXXAA-LSDHHAIUSA-N 2 1 293.411 0.359 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001112865141 836945066 /nfs/dbraw/zinc/94/50/66/836945066.db2.gz WAAKQBFBLFNQDR-HUUCEWRRSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001112865141 836945078 /nfs/dbraw/zinc/94/50/78/836945078.db2.gz WAAKQBFBLFNQDR-HUUCEWRRSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185136552 844349367 /nfs/dbraw/zinc/34/93/67/844349367.db2.gz HVQYYQCIFITVPP-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185136552 844349376 /nfs/dbraw/zinc/34/93/76/844349376.db2.gz HVQYYQCIFITVPP-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133856753 838750965 /nfs/dbraw/zinc/75/09/65/838750965.db2.gz PPKFCUNLSDLEJX-OAHLLOKOSA-N 2 1 283.391 0.928 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133856752 838751601 /nfs/dbraw/zinc/75/16/01/838751601.db2.gz PPKFCUNLSDLEJX-HNNXBMFYSA-N 2 1 283.391 0.928 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133865702 838755649 /nfs/dbraw/zinc/75/56/49/838755649.db2.gz FFXZKEOFMLKKBT-CYBMUJFWSA-N 2 1 274.368 0.483 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608118 839024756 /nfs/dbraw/zinc/02/47/56/839024756.db2.gz QXIPEZNFXGRITM-STQMWFEESA-N 2 1 265.401 0.977 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134804294 839079530 /nfs/dbraw/zinc/07/95/30/839079530.db2.gz FTCFYSWUKBZPQH-RYUDHWBXSA-N 2 1 292.383 0.856 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246023862 839584480 /nfs/dbraw/zinc/58/44/80/839584480.db2.gz SKGAVPYRCOBZSN-UONOGXRCSA-N 2 1 254.374 0.448 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC001246304196 839778356 /nfs/dbraw/zinc/77/83/56/839778356.db2.gz KYUVXNGDZFPOCE-KGLIPLIRSA-N 2 1 297.399 0.424 20 30 CCEDMP C=CCN1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1=O ZINC001246362250 839820799 /nfs/dbraw/zinc/82/07/99/839820799.db2.gz KQDCXYDOGRFTHC-UPJWGTAASA-N 2 1 251.374 0.894 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808319 839827786 /nfs/dbraw/zinc/82/77/86/839827786.db2.gz JARAUKKMELDILS-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808319 839827790 /nfs/dbraw/zinc/82/77/90/839827790.db2.gz JARAUKKMELDILS-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001091780695 840967349 /nfs/dbraw/zinc/96/73/49/840967349.db2.gz WONGPFMQCPWVGH-FMKPAKJESA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611229 841048808 /nfs/dbraw/zinc/04/88/08/841048808.db2.gz NUJZRSNXHRNLRO-BMFZPTHFSA-N 2 1 289.423 0.646 20 30 CCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171725535 841752699 /nfs/dbraw/zinc/75/26/99/841752699.db2.gz OKLTWAKSKAINMS-UHFFFAOYSA-N 2 1 298.431 0.116 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC001176133376 842322080 /nfs/dbraw/zinc/32/20/80/842322080.db2.gz PAQQQHNFNNBQLM-UHFFFAOYSA-N 2 1 280.372 0.490 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176986425 842476101 /nfs/dbraw/zinc/47/61/01/842476101.db2.gz NXFLXZSBWPCROU-CYBMUJFWSA-N 2 1 298.431 0.113 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001180331535 843153504 /nfs/dbraw/zinc/15/35/04/843153504.db2.gz KNFDZYZQJCAQFJ-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001180331535 843153511 /nfs/dbraw/zinc/15/35/11/843153511.db2.gz KNFDZYZQJCAQFJ-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001187983016 844812438 /nfs/dbraw/zinc/81/24/38/844812438.db2.gz WHEOAJNJEGEXJE-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001187983016 844812441 /nfs/dbraw/zinc/81/24/41/844812441.db2.gz WHEOAJNJEGEXJE-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCOC)C1 ZINC001190726037 845478904 /nfs/dbraw/zinc/47/89/04/845478904.db2.gz USRXMBGFJDXJCF-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCOC)C1 ZINC001190726037 845478909 /nfs/dbraw/zinc/47/89/09/845478909.db2.gz USRXMBGFJDXJCF-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCOC)C1 ZINC001190726037 845478915 /nfs/dbraw/zinc/47/89/15/845478915.db2.gz USRXMBGFJDXJCF-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCOC)C1 ZINC001190726037 845478919 /nfs/dbraw/zinc/47/89/19/845478919.db2.gz USRXMBGFJDXJCF-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCOC)C1 ZINC001190726037 845478922 /nfs/dbraw/zinc/47/89/22/845478922.db2.gz USRXMBGFJDXJCF-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901591 845524903 /nfs/dbraw/zinc/52/49/03/845524903.db2.gz YVGKYPOECNNLLS-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901591 845524909 /nfs/dbraw/zinc/52/49/09/845524909.db2.gz YVGKYPOECNNLLS-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190901591 845524914 /nfs/dbraw/zinc/52/49/14/845524914.db2.gz YVGKYPOECNNLLS-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190901591 845524921 /nfs/dbraw/zinc/52/49/21/845524921.db2.gz YVGKYPOECNNLLS-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191802436 845741937 /nfs/dbraw/zinc/74/19/37/845741937.db2.gz RJCLKTFIJHZAFI-HZSPNIEDSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001191802436 845741943 /nfs/dbraw/zinc/74/19/43/845741943.db2.gz RJCLKTFIJHZAFI-HZSPNIEDSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191802436 845741948 /nfs/dbraw/zinc/74/19/48/845741948.db2.gz RJCLKTFIJHZAFI-HZSPNIEDSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191802436 845741955 /nfs/dbraw/zinc/74/19/55/845741955.db2.gz RJCLKTFIJHZAFI-HZSPNIEDSA-N 2 1 281.400 0.208 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193460368 846080111 /nfs/dbraw/zinc/08/01/11/846080111.db2.gz BHIXZFPVBUMEMJ-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193460368 846080121 /nfs/dbraw/zinc/08/01/21/846080121.db2.gz BHIXZFPVBUMEMJ-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193460368 846080126 /nfs/dbraw/zinc/08/01/26/846080126.db2.gz BHIXZFPVBUMEMJ-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193892287 846176503 /nfs/dbraw/zinc/17/65/03/846176503.db2.gz IEAGYJIOMXJRRJ-BFHYXJOUSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193892287 846176507 /nfs/dbraw/zinc/17/65/07/846176507.db2.gz IEAGYJIOMXJRRJ-BFHYXJOUSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193892287 846176512 /nfs/dbraw/zinc/17/65/12/846176512.db2.gz IEAGYJIOMXJRRJ-BFHYXJOUSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193892287 846176517 /nfs/dbraw/zinc/17/65/17/846176517.db2.gz IEAGYJIOMXJRRJ-BFHYXJOUSA-N 2 1 281.400 0.208 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039219 846202023 /nfs/dbraw/zinc/20/20/23/846202023.db2.gz LSZZPPMAOCAHBH-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194155504 846225291 /nfs/dbraw/zinc/22/52/91/846225291.db2.gz UJQRNASTTKKFRB-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001194155504 846225298 /nfs/dbraw/zinc/22/52/98/846225298.db2.gz UJQRNASTTKKFRB-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001194155504 846225302 /nfs/dbraw/zinc/22/53/02/846225302.db2.gz UJQRNASTTKKFRB-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194155504 846225305 /nfs/dbraw/zinc/22/53/05/846225305.db2.gz UJQRNASTTKKFRB-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194155504 846225308 /nfs/dbraw/zinc/22/53/08/846225308.db2.gz UJQRNASTTKKFRB-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195700342 846604619 /nfs/dbraw/zinc/60/46/19/846604619.db2.gz ARQZSSITEOUXIQ-RRFJBIMHSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195980700 846656681 /nfs/dbraw/zinc/65/66/81/846656681.db2.gz CORCMIAOWBIDOL-RBSFLKMASA-N 2 1 297.443 0.700 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970566 846820645 /nfs/dbraw/zinc/82/06/45/846820645.db2.gz LUEQYQXJWYKSOK-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970566 846820647 /nfs/dbraw/zinc/82/06/47/846820647.db2.gz LUEQYQXJWYKSOK-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197691793 846947973 /nfs/dbraw/zinc/94/79/73/846947973.db2.gz NWBKLBZSLGTFLW-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197691793 846947979 /nfs/dbraw/zinc/94/79/79/846947979.db2.gz NWBKLBZSLGTFLW-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197691793 846947985 /nfs/dbraw/zinc/94/79/85/846947985.db2.gz NWBKLBZSLGTFLW-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197691793 846947987 /nfs/dbraw/zinc/94/79/87/846947987.db2.gz NWBKLBZSLGTFLW-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CCOC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001251894445 847410555 /nfs/dbraw/zinc/41/05/55/847410555.db2.gz UDRIJYFGWWKBNP-XQLPTFJDSA-N 2 1 266.385 0.602 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199788607 847432941 /nfs/dbraw/zinc/43/29/41/847432941.db2.gz TULVGKWGCRUIMS-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056638 847851273 /nfs/dbraw/zinc/85/12/73/847851273.db2.gz AKIPUSSMNDRINB-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202067465 847853010 /nfs/dbraw/zinc/85/30/10/847853010.db2.gz FMRDSLCLILMFKF-CQSZACIVSA-N 2 1 290.367 0.032 20 30 CCEDMP N#Cc1ccc2c(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)c[nH]c2c1 ZINC001205959980 848070761 /nfs/dbraw/zinc/07/07/61/848070761.db2.gz VUSKQPDBQAICSP-UKRRQHHQSA-N 2 1 270.336 0.933 20 30 CCEDMP N#Cc1ccc2c(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)c[nH]c2c1 ZINC001205959980 848070768 /nfs/dbraw/zinc/07/07/68/848070768.db2.gz VUSKQPDBQAICSP-UKRRQHHQSA-N 2 1 270.336 0.933 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)CC ZINC001114484376 848082271 /nfs/dbraw/zinc/08/22/71/848082271.db2.gz XOYVEYILFNZLGC-WDNDVIMCSA-N 2 1 277.412 0.786 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114484376 848082277 /nfs/dbraw/zinc/08/22/77/848082277.db2.gz XOYVEYILFNZLGC-WDNDVIMCSA-N 2 1 277.412 0.786 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114484376 848082281 /nfs/dbraw/zinc/08/22/81/848082281.db2.gz XOYVEYILFNZLGC-WDNDVIMCSA-N 2 1 277.412 0.786 20 30 CCEDMP C[NH+](C)CCN1C(=O)COCC12C[NH+](CCCCC#N)C2 ZINC001274043251 848317535 /nfs/dbraw/zinc/31/75/35/848317535.db2.gz ONBYKYZVBFZETG-UHFFFAOYSA-N 2 1 294.399 0.155 20 30 CCEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001274327101 848453316 /nfs/dbraw/zinc/45/33/16/848453316.db2.gz UBJPUVNKGQFGAK-AWEZNQCLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001274327101 848453320 /nfs/dbraw/zinc/45/33/20/848453320.db2.gz UBJPUVNKGQFGAK-AWEZNQCLSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CCC ZINC001275976821 848879190 /nfs/dbraw/zinc/87/91/90/848879190.db2.gz JHUQMFLBWJBGIN-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001275976821 848879199 /nfs/dbraw/zinc/87/91/99/848879199.db2.gz JHUQMFLBWJBGIN-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP CC#CC[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001275976821 848879207 /nfs/dbraw/zinc/87/92/07/848879207.db2.gz JHUQMFLBWJBGIN-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750231 849386230 /nfs/dbraw/zinc/38/62/30/849386230.db2.gz DBIABFGCQIBESX-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114855083 849440747 /nfs/dbraw/zinc/44/07/47/849440747.db2.gz UQEUXXOCNLGOCH-RFQIPJPRSA-N 2 1 265.401 0.949 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041632462 850479151 /nfs/dbraw/zinc/47/91/51/850479151.db2.gz INGSQBZLCOGWGT-QGZVFWFLSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001047529093 851805088 /nfs/dbraw/zinc/80/50/88/851805088.db2.gz QIDWQVUBRRJJRB-RDBSUJKOSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001047529093 851805093 /nfs/dbraw/zinc/80/50/93/851805093.db2.gz QIDWQVUBRRJJRB-RDBSUJKOSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001047529093 851805101 /nfs/dbraw/zinc/80/51/01/851805101.db2.gz QIDWQVUBRRJJRB-RDBSUJKOSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001047529093 851805111 /nfs/dbraw/zinc/80/51/11/851805111.db2.gz QIDWQVUBRRJJRB-RDBSUJKOSA-N 2 1 281.400 0.018 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001048587668 851976102 /nfs/dbraw/zinc/97/61/02/851976102.db2.gz QQGONIKMSSMNAQ-LVQVYYBASA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001048587668 851976112 /nfs/dbraw/zinc/97/61/12/851976112.db2.gz QQGONIKMSSMNAQ-LVQVYYBASA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001048587668 851976123 /nfs/dbraw/zinc/97/61/23/851976123.db2.gz QQGONIKMSSMNAQ-LVQVYYBASA-N 2 1 289.423 0.931 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863576 852088080 /nfs/dbraw/zinc/08/80/80/852088080.db2.gz HNLXJFGGPMTQKI-QLFBSQMISA-N 2 1 277.412 0.903 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3cncc3C)C[C@H]2C1 ZINC001048939954 852115484 /nfs/dbraw/zinc/11/54/84/852115484.db2.gz ZOFYYZQBFDLGSR-GASCZTMLSA-N 2 1 286.379 0.605 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001048939954 852115493 /nfs/dbraw/zinc/11/54/93/852115493.db2.gz ZOFYYZQBFDLGSR-GASCZTMLSA-N 2 1 286.379 0.605 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001048939954 852115498 /nfs/dbraw/zinc/11/54/98/852115498.db2.gz ZOFYYZQBFDLGSR-GASCZTMLSA-N 2 1 286.379 0.605 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001049234024 852200240 /nfs/dbraw/zinc/20/02/40/852200240.db2.gz WBNYWSFWJUISNS-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049234024 852200253 /nfs/dbraw/zinc/20/02/53/852200253.db2.gz WBNYWSFWJUISNS-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049234024 852200263 /nfs/dbraw/zinc/20/02/63/852200263.db2.gz WBNYWSFWJUISNS-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001052713208 852645203 /nfs/dbraw/zinc/64/52/03/852645203.db2.gz SXBFBDCFJHEGTR-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052713208 852645206 /nfs/dbraw/zinc/64/52/06/852645206.db2.gz SXBFBDCFJHEGTR-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052713208 852645208 /nfs/dbraw/zinc/64/52/08/852645208.db2.gz SXBFBDCFJHEGTR-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052933696 852674126 /nfs/dbraw/zinc/67/41/26/852674126.db2.gz CVHHWWJIGVBYCZ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052933696 852674128 /nfs/dbraw/zinc/67/41/28/852674128.db2.gz CVHHWWJIGVBYCZ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052933696 852674129 /nfs/dbraw/zinc/67/41/29/852674129.db2.gz CVHHWWJIGVBYCZ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC#CC)C2 ZINC001072822847 854472519 /nfs/dbraw/zinc/47/25/19/854472519.db2.gz VRAUWBITZUXVRG-INIZCTEOSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC#CC)C2 ZINC001072822847 854472521 /nfs/dbraw/zinc/47/25/21/854472521.db2.gz VRAUWBITZUXVRG-INIZCTEOSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC#CC)C2 ZINC001072822847 854472523 /nfs/dbraw/zinc/47/25/23/854472523.db2.gz VRAUWBITZUXVRG-INIZCTEOSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC#CC)C2 ZINC001072822847 854472524 /nfs/dbraw/zinc/47/25/24/854472524.db2.gz VRAUWBITZUXVRG-INIZCTEOSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001073432174 854557533 /nfs/dbraw/zinc/55/75/33/854557533.db2.gz ZQEQZEPEHJSOOK-UHFFFAOYSA-N 2 1 272.352 0.359 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001073432174 854557535 /nfs/dbraw/zinc/55/75/35/854557535.db2.gz ZQEQZEPEHJSOOK-UHFFFAOYSA-N 2 1 272.352 0.359 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001074878082 854794294 /nfs/dbraw/zinc/79/42/94/854794294.db2.gz ZAPDFUBNZQJGFD-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001074878081 854794789 /nfs/dbraw/zinc/79/47/89/854794789.db2.gz ZAPDFUBNZQJGFD-IHRRRGAJSA-N 2 1 263.385 0.683 20 30 CCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001098398844 854863761 /nfs/dbraw/zinc/86/37/61/854863761.db2.gz NLFYSDRKCSUXFG-DGAVXFQQSA-N 2 1 263.385 0.846 20 30 CCEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001098398844 854863764 /nfs/dbraw/zinc/86/37/64/854863764.db2.gz NLFYSDRKCSUXFG-DGAVXFQQSA-N 2 1 263.385 0.846 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001098398844 854863765 /nfs/dbraw/zinc/86/37/65/854863765.db2.gz NLFYSDRKCSUXFG-DGAVXFQQSA-N 2 1 263.385 0.846 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986081 855061157 /nfs/dbraw/zinc/06/11/57/855061157.db2.gz HUFGHTGBSZRANY-QWHCGFSZSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100076765 855094575 /nfs/dbraw/zinc/09/45/75/855094575.db2.gz QWLRWLDZEAYYIM-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100083343 855096844 /nfs/dbraw/zinc/09/68/44/855096844.db2.gz QKSSXFLEBUATNL-STQMWFEESA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100083343 855096851 /nfs/dbraw/zinc/09/68/51/855096851.db2.gz QKSSXFLEBUATNL-STQMWFEESA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100083343 855096861 /nfs/dbraw/zinc/09/68/61/855096861.db2.gz QKSSXFLEBUATNL-STQMWFEESA-N 2 1 269.389 0.066 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CCC ZINC001115156082 855648226 /nfs/dbraw/zinc/64/82/26/855648226.db2.gz IGCFCPAMBUBFDV-FOLVSLTJSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115156082 855648231 /nfs/dbraw/zinc/64/82/31/855648231.db2.gz IGCFCPAMBUBFDV-FOLVSLTJSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115156082 855648235 /nfs/dbraw/zinc/64/82/35/855648235.db2.gz IGCFCPAMBUBFDV-FOLVSLTJSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115462194 855674871 /nfs/dbraw/zinc/67/48/71/855674871.db2.gz WUEQSHAODWTCMJ-CQSZACIVSA-N 2 1 295.427 0.912 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115462194 855674880 /nfs/dbraw/zinc/67/48/80/855674880.db2.gz WUEQSHAODWTCMJ-CQSZACIVSA-N 2 1 295.427 0.912 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001323325494 912268788 /nfs/dbraw/zinc/26/87/88/912268788.db2.gz UVLWTCBTNWPBCU-CYBMUJFWSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001323325494 912268805 /nfs/dbraw/zinc/26/88/05/912268805.db2.gz UVLWTCBTNWPBCU-CYBMUJFWSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001323356786 912289891 /nfs/dbraw/zinc/28/98/91/912289891.db2.gz KKRINLZBMZCZSO-CQSZACIVSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001323356786 912289908 /nfs/dbraw/zinc/28/99/08/912289908.db2.gz KKRINLZBMZCZSO-CQSZACIVSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001324648599 912959348 /nfs/dbraw/zinc/95/93/48/912959348.db2.gz WAASZVRDZNWNRY-DZGCQCFKSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001325102117 913214137 /nfs/dbraw/zinc/21/41/37/913214137.db2.gz LGJRKNPXRKLUCW-OAHLLOKOSA-N 2 1 293.411 0.047 20 30 CCEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001266424114 891485799 /nfs/dbraw/zinc/48/57/99/891485799.db2.gz NAMDUGDPIOYMJY-QWHCGFSZSA-N 2 1 251.374 0.751 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001481096986 892162498 /nfs/dbraw/zinc/16/24/98/892162498.db2.gz WPYWSFFWZYPIAQ-ZIAGYGMSSA-N 2 1 283.391 0.738 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001481749976 893113404 /nfs/dbraw/zinc/11/34/04/893113404.db2.gz YIZPPGWZAQQESF-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001481749976 893113409 /nfs/dbraw/zinc/11/34/09/893113409.db2.gz YIZPPGWZAQQESF-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001481749976 893113416 /nfs/dbraw/zinc/11/34/16/893113416.db2.gz YIZPPGWZAQQESF-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001481883907 893240596 /nfs/dbraw/zinc/24/05/96/893240596.db2.gz VVGCXXHINGAQJC-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001481883907 893240607 /nfs/dbraw/zinc/24/06/07/893240607.db2.gz VVGCXXHINGAQJC-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001481913413 893257957 /nfs/dbraw/zinc/25/79/57/893257957.db2.gz ZNTNEUPPRBSOFT-AWEZNQCLSA-N 2 1 295.427 0.912 20 30 CCEDMP C=CC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001481913413 893257968 /nfs/dbraw/zinc/25/79/68/893257968.db2.gz ZNTNEUPPRBSOFT-AWEZNQCLSA-N 2 1 295.427 0.912 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001482199275 893519338 /nfs/dbraw/zinc/51/93/38/893519338.db2.gz JTHHRUWVCHXWNR-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001482199275 893519350 /nfs/dbraw/zinc/51/93/50/893519350.db2.gz JTHHRUWVCHXWNR-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001482199275 893519363 /nfs/dbraw/zinc/51/93/63/893519363.db2.gz JTHHRUWVCHXWNR-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001482199275 893519381 /nfs/dbraw/zinc/51/93/81/893519381.db2.gz JTHHRUWVCHXWNR-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CCC([NH+](CC)CC)CC1 ZINC001326240264 913838400 /nfs/dbraw/zinc/83/84/00/913838400.db2.gz QOPNPAMDADWSTA-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001482518348 894176777 /nfs/dbraw/zinc/17/67/77/894176777.db2.gz OWPGNAUYWVTLCO-CABCVRRESA-N 2 1 295.427 0.461 20 30 CCEDMP CCN(CC[NH2+]CC#CCOC)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482950453 894727961 /nfs/dbraw/zinc/72/79/61/894727961.db2.gz RUROPWSYPXATAU-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082252 895681966 /nfs/dbraw/zinc/68/19/66/895681966.db2.gz NFZXVEQPYCCLEI-ZDUSSCGKSA-N 2 1 251.374 0.588 20 30 CCEDMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001484081822 896183873 /nfs/dbraw/zinc/18/38/73/896183873.db2.gz BNHMRYJROGPLDL-ZBFHGGJFSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484573667 896472991 /nfs/dbraw/zinc/47/29/91/896472991.db2.gz VHRRCCCTGHUSKL-KKUMJFAQSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001485363313 896989686 /nfs/dbraw/zinc/98/96/86/896989686.db2.gz XWRVQDZCXRBLIX-ZDUSSCGKSA-N 2 1 291.399 0.128 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485956614 898519443 /nfs/dbraw/zinc/51/94/43/898519443.db2.gz YQNZXJOSPKELKL-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485943722 898531491 /nfs/dbraw/zinc/53/14/91/898531491.db2.gz CSUSNYRIVXLLGQ-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001485960807 898559240 /nfs/dbraw/zinc/55/92/40/898559240.db2.gz NDLWFIQAJBPGOY-CYBMUJFWSA-N 2 1 253.390 0.786 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001488718544 900352399 /nfs/dbraw/zinc/35/23/99/900352399.db2.gz RUXJTBLWTCQATP-MJBXVCDLSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001488718544 900352408 /nfs/dbraw/zinc/35/24/08/900352408.db2.gz RUXJTBLWTCQATP-MJBXVCDLSA-N 2 1 281.400 0.378 20 30 CCEDMP C=C(C)C[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001489219151 900450513 /nfs/dbraw/zinc/45/05/13/900450513.db2.gz PWBASBOLIKTFTM-HNNXBMFYSA-N 2 1 297.443 0.921 20 30 CCEDMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001489219151 900450516 /nfs/dbraw/zinc/45/05/16/900450516.db2.gz PWBASBOLIKTFTM-HNNXBMFYSA-N 2 1 297.443 0.921 20 30 CCEDMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001489219151 900450520 /nfs/dbraw/zinc/45/05/20/900450520.db2.gz PWBASBOLIKTFTM-HNNXBMFYSA-N 2 1 297.443 0.921 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001489286593 900457871 /nfs/dbraw/zinc/45/78/71/900457871.db2.gz LAOGHQURNRTVHP-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001280595471 904124121 /nfs/dbraw/zinc/12/41/21/904124121.db2.gz KNXIFJHAZUTGRM-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001281518937 904300759 /nfs/dbraw/zinc/30/07/59/904300759.db2.gz FANLPSFIPMFTPH-UHFFFAOYSA-N 2 1 293.411 0.313 20 30 CCEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001281643289 904317602 /nfs/dbraw/zinc/31/76/02/904317602.db2.gz TVFOISHGDXGDRJ-CQSZACIVSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001332634670 904544060 /nfs/dbraw/zinc/54/40/60/904544060.db2.gz SBVFHEUXKPIXBU-LSDHHAIUSA-N 2 1 297.443 0.796 20 30 CCEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001332634670 904544071 /nfs/dbraw/zinc/54/40/71/904544071.db2.gz SBVFHEUXKPIXBU-LSDHHAIUSA-N 2 1 297.443 0.796 20 30 CCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001332634670 904544082 /nfs/dbraw/zinc/54/40/82/904544082.db2.gz SBVFHEUXKPIXBU-LSDHHAIUSA-N 2 1 297.443 0.796 20 30 CCEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001283554519 904907054 /nfs/dbraw/zinc/90/70/54/904907054.db2.gz RJOALZGYDOOIOS-HIFRSBDPSA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001283765403 905000386 /nfs/dbraw/zinc/00/03/86/905000386.db2.gz UCQMKTCGMUBREX-KGLIPLIRSA-N 2 1 283.416 0.504 20 30 CCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001284417173 905281998 /nfs/dbraw/zinc/28/19/98/905281998.db2.gz MKPUCCIFRJAXIC-LSDHHAIUSA-N 2 1 295.427 0.291 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001492143937 907717314 /nfs/dbraw/zinc/71/73/14/907717314.db2.gz NRSZWIDOOOSFLI-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001492143937 907717322 /nfs/dbraw/zinc/71/73/22/907717322.db2.gz NRSZWIDOOOSFLI-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492143937 907717332 /nfs/dbraw/zinc/71/73/32/907717332.db2.gz NRSZWIDOOOSFLI-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492143937 907717340 /nfs/dbraw/zinc/71/73/40/907717340.db2.gz NRSZWIDOOOSFLI-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[N@H+](CC)CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001316909930 908836239 /nfs/dbraw/zinc/83/62/39/908836239.db2.gz XBNMDHYTRGOZQY-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@@H+](CC)CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001316909930 908836257 /nfs/dbraw/zinc/83/62/57/908836257.db2.gz XBNMDHYTRGOZQY-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+](CC)CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001316909930 908836272 /nfs/dbraw/zinc/83/62/72/908836272.db2.gz XBNMDHYTRGOZQY-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+](CC)CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001316909930 908836290 /nfs/dbraw/zinc/83/62/90/908836290.db2.gz XBNMDHYTRGOZQY-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001316989782 908899871 /nfs/dbraw/zinc/89/98/71/908899871.db2.gz AKJWGYPZHLYGQV-UONOGXRCSA-N 2 1 265.401 0.786 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001316991318 908906331 /nfs/dbraw/zinc/90/63/31/908906331.db2.gz WVUYHDVYXHSEGH-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001316991318 908906345 /nfs/dbraw/zinc/90/63/45/908906345.db2.gz WVUYHDVYXHSEGH-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317661575 909453683 /nfs/dbraw/zinc/45/36/83/909453683.db2.gz OKFZFIQNAPRNMV-CYBMUJFWSA-N 2 1 269.389 0.189 20 30 CCEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001318538998 909807776 /nfs/dbraw/zinc/80/77/76/909807776.db2.gz AYCUQYYIOTUVIK-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001319533420 910191029 /nfs/dbraw/zinc/19/10/29/910191029.db2.gz FUEBZBHUAYFWAN-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001392379229 911769274 /nfs/dbraw/zinc/76/92/74/911769274.db2.gz ZFKJWGHVQJCXIB-GFCCVEGCSA-N 2 1 289.807 0.290 20 30 CCEDMP C#CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)CC1CC1 ZINC001322948450 912032588 /nfs/dbraw/zinc/03/25/88/912032588.db2.gz NJWYUYUTTSJZJS-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)CC1CC1 ZINC001322948450 912032603 /nfs/dbraw/zinc/03/26/03/912032603.db2.gz NJWYUYUTTSJZJS-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001329168940 915723890 /nfs/dbraw/zinc/72/38/90/915723890.db2.gz OCEKUWJPIHYTSZ-STQMWFEESA-N 2 1 253.390 0.834 20 30 CCEDMP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001330423477 916624614 /nfs/dbraw/zinc/62/46/14/916624614.db2.gz HCOWVLFAIDOETF-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001332661909 918366648 /nfs/dbraw/zinc/36/66/48/918366648.db2.gz AESVQZXMKMBAQK-HUUCEWRRSA-N 2 1 299.459 0.900 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](C)CC1 ZINC001333074220 918636542 /nfs/dbraw/zinc/63/65/42/918636542.db2.gz WLLRUACEWURCEA-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](C)CC1 ZINC001333074220 918636547 /nfs/dbraw/zinc/63/65/47/918636547.db2.gz WLLRUACEWURCEA-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC001336763035 920989250 /nfs/dbraw/zinc/98/92/50/920989250.db2.gz LTPWQUIXYAYDKI-STQMWFEESA-N 2 1 251.374 0.973 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001346210580 924113791 /nfs/dbraw/zinc/11/37/91/924113791.db2.gz WBMWNJRNCRXXRZ-RRFJBIMHSA-N 2 1 295.427 0.728 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC001447657773 930679626 /nfs/dbraw/zinc/67/96/26/930679626.db2.gz OIXJODFACMXHAG-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)CC1 ZINC000602878950 362859353 /nfs/dbraw/zinc/85/93/53/362859353.db2.gz VYVVRQXSROQZCH-UHFFFAOYSA-N 2 1 290.411 0.967 20 30 CCEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000572149117 358927447 /nfs/dbraw/zinc/92/74/47/358927447.db2.gz VHXNNXJPLHGKPH-HOTGVXAUSA-N 2 1 296.459 0.903 20 30 CCEDMP Cc1cc(NCC[N@H+]2CCCOCC2)c(C#N)cn1 ZINC000563019822 291182458 /nfs/dbraw/zinc/18/24/58/291182458.db2.gz XNBMNLFQIVHKDS-UHFFFAOYSA-N 2 1 260.341 0.818 20 30 CCEDMP Cc1cc(NCCN2CCCOCC2)c(C#N)cn1 ZINC000563019822 291182460 /nfs/dbraw/zinc/18/24/60/291182460.db2.gz XNBMNLFQIVHKDS-UHFFFAOYSA-N 2 1 260.341 0.818 20 30 CCEDMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595942925 360718513 /nfs/dbraw/zinc/71/85/13/360718513.db2.gz FCCFBISGQJZBMK-STQMWFEESA-N 2 1 266.389 0.998 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)c2csc(C[NH3+])n2)CC1 ZINC000178769069 189145016 /nfs/dbraw/zinc/14/50/16/189145016.db2.gz SWMQOWPZLNDBEU-UHFFFAOYSA-N 2 1 280.397 0.982 20 30 CCEDMP CC[C@H](C#N)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597941852 361286587 /nfs/dbraw/zinc/28/65/87/361286587.db2.gz DYIZNDCTYHDADY-QWHCGFSZSA-N 2 1 268.405 0.924 20 30 CCEDMP CC[C@H](C#N)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597941852 361286594 /nfs/dbraw/zinc/28/65/94/361286594.db2.gz DYIZNDCTYHDADY-QWHCGFSZSA-N 2 1 268.405 0.924 20 30 CCEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000598729325 361498959 /nfs/dbraw/zinc/49/89/59/361498959.db2.gz IJBOEUBDIQIDCB-KBPBESRZSA-N 2 1 283.416 0.724 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC#N ZINC000355985530 285243082 /nfs/dbraw/zinc/24/30/82/285243082.db2.gz KQIXWIJLFCGIPG-CYBMUJFWSA-N 2 1 266.389 0.775 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000360333378 389196536 /nfs/dbraw/zinc/19/65/36/389196536.db2.gz IAWFOXBUGFGDCT-GDBMZVCRSA-N 2 1 289.423 0.884 20 30 CCEDMP C[NH+]=C(NCCn1ccnc1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261965269 389279087 /nfs/dbraw/zinc/27/90/87/389279087.db2.gz LGODPCLSUZOJQD-JSGCOSHPSA-N 2 1 290.415 0.531 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1ccnc1 ZINC000264062390 389304228 /nfs/dbraw/zinc/30/42/28/389304228.db2.gz DFGWISUVMLMRND-ZDUSSCGKSA-N 2 1 278.404 0.662 20 30 CCEDMP C=C(Cl)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267425574 389371047 /nfs/dbraw/zinc/37/10/47/389371047.db2.gz LLMMYMRWBXXFMR-UHFFFAOYSA-N 2 1 260.769 0.366 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccn1C ZINC000267459022 389371434 /nfs/dbraw/zinc/37/14/34/389371434.db2.gz UOGPUJNEQSJYES-CYBMUJFWSA-N 2 1 263.389 0.914 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060137 389872977 /nfs/dbraw/zinc/87/29/77/389872977.db2.gz OFIPKUFDPXOSAA-RYUDHWBXSA-N 2 1 282.388 0.448 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000491624469 397559688 /nfs/dbraw/zinc/55/96/88/397559688.db2.gz GPWOOFBHGNCZDW-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)C1=O ZINC000652356550 412035614 /nfs/dbraw/zinc/03/56/14/412035614.db2.gz RRCYMHIFHKGEBW-FRRDWIJNSA-N 2 1 267.373 0.069 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)C1=O ZINC000652356550 412035617 /nfs/dbraw/zinc/03/56/17/412035617.db2.gz RRCYMHIFHKGEBW-FRRDWIJNSA-N 2 1 267.373 0.069 20 30 CCEDMP C=CC[C@]1(C(=O)NCCC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662659679 414738151 /nfs/dbraw/zinc/73/81/51/414738151.db2.gz OETZQEHBDGMOGN-OAHLLOKOSA-N 2 1 281.400 0.523 20 30 CCEDMP C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)C1=CC[N@@H+](C)CC1 ZINC000516922089 260281797 /nfs/dbraw/zinc/28/17/97/260281797.db2.gz IEQNLCBQHWZHKV-ZFWWWQNUSA-N 2 1 280.416 0.433 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1CC[NH+](C)CC1 ZINC000491807272 262072370 /nfs/dbraw/zinc/07/23/70/262072370.db2.gz SSCFKXDLHADRGF-UHFFFAOYSA-N 2 1 280.416 0.583 20 30 CCEDMP C=CCC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162760494 262377260 /nfs/dbraw/zinc/37/72/60/262377260.db2.gz GLHLOZWTQSTCLH-CABCVRRESA-N 2 1 295.427 0.552 20 30 CCEDMP C=CCC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162760494 262377262 /nfs/dbraw/zinc/37/72/62/262377262.db2.gz GLHLOZWTQSTCLH-CABCVRRESA-N 2 1 295.427 0.552 20 30 CCEDMP CNC(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)=[NH+]C ZINC000272883394 263009552 /nfs/dbraw/zinc/00/95/52/263009552.db2.gz HXWCNMNRTPMFRD-CQSZACIVSA-N 2 1 276.384 0.548 20 30 CCEDMP C[C@@H]1C[NH+]=C(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)N1 ZINC000285025616 263089356 /nfs/dbraw/zinc/08/93/56/263089356.db2.gz JKHDAKADJJXRQD-DOMZBBRYSA-N 2 1 288.395 0.343 20 30 CCEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130648527 264359394 /nfs/dbraw/zinc/35/93/94/264359394.db2.gz KJCKUJCLEVMFGI-GFCCVEGCSA-N 2 1 262.357 0.651 20 30 CCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130648527 264359396 /nfs/dbraw/zinc/35/93/96/264359396.db2.gz KJCKUJCLEVMFGI-GFCCVEGCSA-N 2 1 262.357 0.651 20 30 CCEDMP C[NH+]=C(NCc1ccnn1C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261943722 328143241 /nfs/dbraw/zinc/14/32/41/328143241.db2.gz FDIMQQAGLQPAQC-FZMZJTMJSA-N 2 1 290.415 0.568 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000534579976 328311373 /nfs/dbraw/zinc/31/13/73/328311373.db2.gz JZCJGBWNKXHRRP-NEPJUHHUSA-N 2 1 262.357 0.900 20 30 CCEDMP C=CCNC(=O)[C@@H](C)N1CC[C@H](c2nccn2C)C1 ZINC000534579976 328311374 /nfs/dbraw/zinc/31/13/74/328311374.db2.gz JZCJGBWNKXHRRP-NEPJUHHUSA-N 2 1 262.357 0.900 20 30 CCEDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)CC[N@H+]1C ZINC000574749855 327371310 /nfs/dbraw/zinc/37/13/10/327371310.db2.gz CTQGXLZRQBDIPD-RDBSUJKOSA-N 2 1 268.405 0.265 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262675211 330026128 /nfs/dbraw/zinc/02/61/28/330026128.db2.gz SXCRUQOASVEILJ-VXGBXAGGSA-N 2 1 254.378 0.281 20 30 CCEDMP C[NH+]=C(NCCn1ccnc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262744978 330028972 /nfs/dbraw/zinc/02/89/72/330028972.db2.gz FPWGJHHCNPLEAQ-GFCCVEGCSA-N 2 1 276.388 0.285 20 30 CCEDMP C[NH+]=C(NCCn1ccnc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262744978 330028974 /nfs/dbraw/zinc/02/89/74/330028974.db2.gz FPWGJHHCNPLEAQ-GFCCVEGCSA-N 2 1 276.388 0.285 20 30 CCEDMP C[N@H+]1CCN(CCNC(=[NH2+])NC[C@@H]2CCCO2)CC1(C)C ZINC000262761749 330029828 /nfs/dbraw/zinc/02/98/28/330029828.db2.gz DKBPDXWSQBCSGI-ZDUSSCGKSA-N 2 1 297.447 0.096 20 30 CCEDMP C[NH+]=C(NCC1(O)CCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262810507 330033284 /nfs/dbraw/zinc/03/32/84/330033284.db2.gz VBWLDSADUFSUBH-NSHDSACASA-N 2 1 266.389 0.303 20 30 CCEDMP C[NH+]=C(NCC1(O)CCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262810507 330033285 /nfs/dbraw/zinc/03/32/85/330033285.db2.gz VBWLDSADUFSUBH-NSHDSACASA-N 2 1 266.389 0.303 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCC[C@H]1C ZINC000263058255 330041264 /nfs/dbraw/zinc/04/12/64/330041264.db2.gz FFHLAUFTAWVYBB-NFAWXSAZSA-N 2 1 282.432 0.926 20 30 CCEDMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424137626 330275078 /nfs/dbraw/zinc/27/50/78/330275078.db2.gz SJAQXXKXJSKYNP-OLZOCXBDSA-N 2 1 266.389 0.808 20 30 CCEDMP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424138750 330276824 /nfs/dbraw/zinc/27/68/24/330276824.db2.gz USYBJSQWZWHGPF-UONOGXRCSA-N 2 1 296.415 0.481 20 30 CCEDMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424144219 330289638 /nfs/dbraw/zinc/28/96/38/330289638.db2.gz KTUYQPPERNXOQG-FRRDWIJNSA-N 2 1 264.373 0.703 20 30 CCEDMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424156142 330303850 /nfs/dbraw/zinc/30/38/50/330303850.db2.gz NQTNIWQVMRTRGV-NEPJUHHUSA-N 2 1 254.378 0.854 20 30 CCEDMP C#CC[NH+](C)CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000491460630 332215253 /nfs/dbraw/zinc/21/52/53/332215253.db2.gz ANCNVYNGNVRVKI-AWEZNQCLSA-N 3 1 279.432 0.540 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NC[C@@H]1CCC[NH+]1CC ZINC000491460630 332215254 /nfs/dbraw/zinc/21/52/54/332215254.db2.gz ANCNVYNGNVRVKI-AWEZNQCLSA-N 3 1 279.432 0.540 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])NC[C@@H]1CCC[NH+]1CC ZINC000491460630 332215255 /nfs/dbraw/zinc/21/52/55/332215255.db2.gz ANCNVYNGNVRVKI-AWEZNQCLSA-N 3 1 279.432 0.540 20 30 CCEDMP C#CCN(C)CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000491460630 332215256 /nfs/dbraw/zinc/21/52/56/332215256.db2.gz ANCNVYNGNVRVKI-AWEZNQCLSA-N 2 1 279.432 0.540 20 30 CCEDMP C#CCN(C)CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000491460630 332215257 /nfs/dbraw/zinc/21/52/57/332215257.db2.gz ANCNVYNGNVRVKI-AWEZNQCLSA-N 2 1 279.432 0.540 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@H+](CC(C)C)C1 ZINC000491513979 332226649 /nfs/dbraw/zinc/22/66/49/332226649.db2.gz FQUMSNIMKQCZPJ-CQSZACIVSA-N 2 1 265.401 0.693 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000491616979 332243875 /nfs/dbraw/zinc/24/38/75/332243875.db2.gz AMYXOXGPDJEOSY-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000491634211 332255610 /nfs/dbraw/zinc/25/56/10/332255610.db2.gz QMISFYNCAFRYQD-AWEZNQCLSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491634211 332255611 /nfs/dbraw/zinc/25/56/11/332255611.db2.gz QMISFYNCAFRYQD-AWEZNQCLSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491634211 332255612 /nfs/dbraw/zinc/25/56/12/332255612.db2.gz QMISFYNCAFRYQD-AWEZNQCLSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000491634214 332255754 /nfs/dbraw/zinc/25/57/54/332255754.db2.gz QMISFYNCAFRYQD-CQSZACIVSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491634214 332255755 /nfs/dbraw/zinc/25/57/55/332255755.db2.gz QMISFYNCAFRYQD-CQSZACIVSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000491634214 332255756 /nfs/dbraw/zinc/25/57/56/332255756.db2.gz QMISFYNCAFRYQD-CQSZACIVSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000491650849 332264614 /nfs/dbraw/zinc/26/46/14/332264614.db2.gz CGTWPSRTOMAPMM-UHFFFAOYSA-N 2 1 292.427 0.893 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000491650849 332264615 /nfs/dbraw/zinc/26/46/15/332264615.db2.gz CGTWPSRTOMAPMM-UHFFFAOYSA-N 2 1 292.427 0.893 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000491650849 332264616 /nfs/dbraw/zinc/26/46/16/332264616.db2.gz CGTWPSRTOMAPMM-UHFFFAOYSA-N 2 1 292.427 0.893 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000491771608 332338236 /nfs/dbraw/zinc/33/82/36/332338236.db2.gz PBGJHFXVGJZUNX-AWEZNQCLSA-N 2 1 280.416 0.758 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@H](C)COC)CC1 ZINC000581483890 336087171 /nfs/dbraw/zinc/08/71/71/336087171.db2.gz LPWPAOJFEVRNGZ-HIFRSBDPSA-N 2 1 286.416 0.639 20 30 CCEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NCC#N ZINC000191479803 528861241 /nfs/dbraw/zinc/86/12/41/528861241.db2.gz SDNXIKCDZVYHJY-UHFFFAOYSA-N 2 1 277.372 0.797 20 30 CCEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NCC#N ZINC000191479803 528861244 /nfs/dbraw/zinc/86/12/44/528861244.db2.gz SDNXIKCDZVYHJY-UHFFFAOYSA-N 2 1 277.372 0.797 20 30 CCEDMP C=C(C)[C@H](CO)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000679424901 545409233 /nfs/dbraw/zinc/40/92/33/545409233.db2.gz VCEINBQMGCPKHS-AWEZNQCLSA-N 2 1 284.400 0.083 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000794115187 581344771 /nfs/dbraw/zinc/34/47/71/581344771.db2.gz JLFHYMXMHPNXEE-AWEZNQCLSA-N 2 1 261.369 0.462 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NCCN1CC=CCC1 ZINC000794115187 581344775 /nfs/dbraw/zinc/34/47/75/581344775.db2.gz JLFHYMXMHPNXEE-AWEZNQCLSA-N 2 1 261.369 0.462 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000733809353 581524955 /nfs/dbraw/zinc/52/49/55/581524955.db2.gz JAWWORLEFSJVDL-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000733809353 581524957 /nfs/dbraw/zinc/52/49/57/581524957.db2.gz JAWWORLEFSJVDL-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP C[NH+](C)CCCNC(=S)NN=C1CC[N@H+]2CCC[C@@H]12 ZINC000765575063 581525484 /nfs/dbraw/zinc/52/54/84/581525484.db2.gz FWJLHSLZSQNNCI-LBPRGKRZSA-N 2 1 283.445 0.626 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+](C)C ZINC000732307832 581819132 /nfs/dbraw/zinc/81/91/32/581819132.db2.gz OBPDTWZQNMCXQL-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+](C)C ZINC000732307832 581819136 /nfs/dbraw/zinc/81/91/36/581819136.db2.gz OBPDTWZQNMCXQL-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[N@@H+](CCOC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000852752772 612989035 /nfs/dbraw/zinc/98/90/35/612989035.db2.gz LEJMPOHHNXZJMF-UHFFFAOYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+](CCOC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000852752772 612989036 /nfs/dbraw/zinc/98/90/36/612989036.db2.gz LEJMPOHHNXZJMF-UHFFFAOYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894862509 613079193 /nfs/dbraw/zinc/07/91/93/613079193.db2.gz CXGDJVOUWVHEPB-MNOVXSKESA-N 2 1 274.311 0.585 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894862509 613079195 /nfs/dbraw/zinc/07/91/95/613079195.db2.gz CXGDJVOUWVHEPB-MNOVXSKESA-N 2 1 274.311 0.585 20 30 CCEDMP CC(C)NC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000104174560 614300640 /nfs/dbraw/zinc/30/06/40/614300640.db2.gz ORRJPYQZEOKUKZ-GFCCVEGCSA-N 2 1 255.410 0.183 20 30 CCEDMP C#CCC1([NH2+]CCC(=O)N2CC[NH+](C)CC2)CCOCC1 ZINC000887122452 612970592 /nfs/dbraw/zinc/97/05/92/612970592.db2.gz YWEZPEGAVNKYCH-UHFFFAOYSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000823187850 613072507 /nfs/dbraw/zinc/07/25/07/613072507.db2.gz KPJIEHPDUPBPIB-UHFFFAOYSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000868653634 613074358 /nfs/dbraw/zinc/07/43/58/613074358.db2.gz ZCQFXNHBHXRUAR-HUUCEWRRSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868653634 613074359 /nfs/dbraw/zinc/07/43/59/613074359.db2.gz ZCQFXNHBHXRUAR-HUUCEWRRSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868653634 613074361 /nfs/dbraw/zinc/07/43/61/613074361.db2.gz ZCQFXNHBHXRUAR-HUUCEWRRSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903178881 613079352 /nfs/dbraw/zinc/07/93/52/613079352.db2.gz ZRBVMJAHGLIDSI-UONOGXRCSA-N 2 1 252.358 0.479 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903178881 613079353 /nfs/dbraw/zinc/07/93/53/613079353.db2.gz ZRBVMJAHGLIDSI-UONOGXRCSA-N 2 1 252.358 0.479 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000827330690 613129446 /nfs/dbraw/zinc/12/94/46/613129446.db2.gz QSESBLHQZVKTEX-HOTGVXAUSA-N 2 1 289.423 0.884 20 30 CCEDMP C#C[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000839565189 613150342 /nfs/dbraw/zinc/15/03/42/613150342.db2.gz VJZHBAUOTBUECP-GJZGRUSLSA-N 2 1 293.411 0.357 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+](C)C(C)C)C1 ZINC000884129115 613185079 /nfs/dbraw/zinc/18/50/79/613185079.db2.gz XXMBILUTQPRFDA-AWEZNQCLSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+](C)C(C)C)C1 ZINC000884129115 613185081 /nfs/dbraw/zinc/18/50/81/613185081.db2.gz XXMBILUTQPRFDA-AWEZNQCLSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+](C)C(C)C)C1 ZINC000884129115 613185084 /nfs/dbraw/zinc/18/50/84/613185084.db2.gz XXMBILUTQPRFDA-AWEZNQCLSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C)C(C)C)C1 ZINC000884129115 613185085 /nfs/dbraw/zinc/18/50/85/613185085.db2.gz XXMBILUTQPRFDA-AWEZNQCLSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000814138550 613199232 /nfs/dbraw/zinc/19/92/32/613199232.db2.gz WRERKSLVLFRRNY-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000814138550 613199234 /nfs/dbraw/zinc/19/92/34/613199234.db2.gz WRERKSLVLFRRNY-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C[NH+]=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC1CC1 ZINC000849000248 613220517 /nfs/dbraw/zinc/22/05/17/613220517.db2.gz LYEGKMVQDWRVMM-VXGBXAGGSA-N 2 1 252.362 0.177 20 30 CCEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970904635 613302073 /nfs/dbraw/zinc/30/20/73/613302073.db2.gz REUNLIFXKYUMJW-ZFWWWQNUSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970904635 613302074 /nfs/dbraw/zinc/30/20/74/613302074.db2.gz REUNLIFXKYUMJW-ZFWWWQNUSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC000960285968 613313933 /nfs/dbraw/zinc/31/39/33/613313933.db2.gz DBUHACVLXGKYBV-LJIGWXMPSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC000960285968 613313935 /nfs/dbraw/zinc/31/39/35/613313935.db2.gz DBUHACVLXGKYBV-LJIGWXMPSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC000960285968 613313937 /nfs/dbraw/zinc/31/39/37/613313937.db2.gz DBUHACVLXGKYBV-LJIGWXMPSA-N 2 1 289.423 0.929 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592555 613342825 /nfs/dbraw/zinc/34/28/25/613342825.db2.gz RRHPPSNJCSBWFU-KGLIPLIRSA-N 2 1 293.411 0.067 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000962659331 613345237 /nfs/dbraw/zinc/34/52/37/613345237.db2.gz BHEAYXRAFFDVDP-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000962659331 613345238 /nfs/dbraw/zinc/34/52/38/613345238.db2.gz BHEAYXRAFFDVDP-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962659331 613345239 /nfs/dbraw/zinc/34/52/39/613345239.db2.gz BHEAYXRAFFDVDP-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962659331 613345240 /nfs/dbraw/zinc/34/52/40/613345240.db2.gz BHEAYXRAFFDVDP-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000899970167 613363934 /nfs/dbraw/zinc/36/39/34/613363934.db2.gz RNAPAIRAMRXPMF-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCCC[NH+]1CCOCC1 ZINC000899920262 613364835 /nfs/dbraw/zinc/36/48/35/613364835.db2.gz GESLYOGQYJBIDR-UHFFFAOYSA-N 2 1 269.389 0.333 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000913427174 613365735 /nfs/dbraw/zinc/36/57/35/613365735.db2.gz LDWWPFROVKMMRM-ZDUSSCGKSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710627 613532900 /nfs/dbraw/zinc/53/29/00/613532900.db2.gz QYIDJMPBQYECNU-TUAOUCFPSA-N 2 1 251.330 0.429 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977497868 613608717 /nfs/dbraw/zinc/60/87/17/613608717.db2.gz LNFAYYHUDSXWFY-CQSZACIVSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000972991430 613808715 /nfs/dbraw/zinc/80/87/15/613808715.db2.gz KOLGLXAGSQDKHZ-CHWSQXEVSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCN1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000972991430 613808718 /nfs/dbraw/zinc/80/87/18/613808718.db2.gz KOLGLXAGSQDKHZ-CHWSQXEVSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000969704853 613865520 /nfs/dbraw/zinc/86/55/20/613865520.db2.gz HSPJORSFNUUCBM-ZIAGYGMSSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000969704853 613865521 /nfs/dbraw/zinc/86/55/21/613865521.db2.gz HSPJORSFNUUCBM-ZIAGYGMSSA-N 2 1 281.400 0.472 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(C)CCCO1 ZINC000151239982 615144222 /nfs/dbraw/zinc/14/42/22/615144222.db2.gz NYEDZASSGMUXPK-JSGCOSHPSA-N 2 1 268.405 0.944 20 30 CCEDMP CCO[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)C[NH+](C)C ZINC000905578730 615483815 /nfs/dbraw/zinc/48/38/15/615483815.db2.gz GEKNJOUHENGZFH-QWHCGFSZSA-N 2 1 269.389 0.597 20 30 CCEDMP C[NH+](C)[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)c1ccccc1 ZINC000834493688 615988675 /nfs/dbraw/zinc/98/86/75/615988675.db2.gz GMOXVYOVCZDHNI-RDBSUJKOSA-N 2 1 272.352 0.517 20 30 CCEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023755342 623129228 /nfs/dbraw/zinc/12/92/28/623129228.db2.gz HZCAJXJEYQUURN-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023755342 623129248 /nfs/dbraw/zinc/12/92/48/623129248.db2.gz HZCAJXJEYQUURN-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023755342 623129254 /nfs/dbraw/zinc/12/92/54/623129254.db2.gz HZCAJXJEYQUURN-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023755342 623129267 /nfs/dbraw/zinc/12/92/67/623129267.db2.gz HZCAJXJEYQUURN-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001024797490 623445488 /nfs/dbraw/zinc/44/54/88/623445488.db2.gz OLBHKUWSARPBHE-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001024797490 623445493 /nfs/dbraw/zinc/44/54/93/623445493.db2.gz OLBHKUWSARPBHE-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001024797490 623445496 /nfs/dbraw/zinc/44/54/96/623445496.db2.gz OLBHKUWSARPBHE-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985328561 632436623 /nfs/dbraw/zinc/43/66/23/632436623.db2.gz VTCBJXGFZLYHRN-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC000987193200 632840865 /nfs/dbraw/zinc/84/08/65/632840865.db2.gz XSYRATPBPYUMHC-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001009201569 650138944 /nfs/dbraw/zinc/13/89/44/650138944.db2.gz LDGPZZFEEDGOHV-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001009201569 650138947 /nfs/dbraw/zinc/13/89/47/650138947.db2.gz LDGPZZFEEDGOHV-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009201569 650138949 /nfs/dbraw/zinc/13/89/49/650138949.db2.gz LDGPZZFEEDGOHV-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010429851 650226288 /nfs/dbraw/zinc/22/62/88/650226288.db2.gz WXBGWVQKGJHWKI-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010429851 650226292 /nfs/dbraw/zinc/22/62/92/650226292.db2.gz WXBGWVQKGJHWKI-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010429851 650226296 /nfs/dbraw/zinc/22/62/96/650226296.db2.gz WXBGWVQKGJHWKI-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010429851 650226300 /nfs/dbraw/zinc/22/63/00/650226300.db2.gz WXBGWVQKGJHWKI-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995551899 638776089 /nfs/dbraw/zinc/77/60/89/638776089.db2.gz OTZQTBPRXBEUPL-QWHCGFSZSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014416319 650449675 /nfs/dbraw/zinc/44/96/75/650449675.db2.gz ZVHXQXNYDWVEML-ZIAGYGMSSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014416319 650449682 /nfs/dbraw/zinc/44/96/82/650449682.db2.gz ZVHXQXNYDWVEML-ZIAGYGMSSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014416319 650449684 /nfs/dbraw/zinc/44/96/84/650449684.db2.gz ZVHXQXNYDWVEML-ZIAGYGMSSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014416319 650449686 /nfs/dbraw/zinc/44/96/86/650449686.db2.gz ZVHXQXNYDWVEML-ZIAGYGMSSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000997187968 638858501 /nfs/dbraw/zinc/85/85/01/638858501.db2.gz YFJFCHSQBSHVLL-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999497889 638982916 /nfs/dbraw/zinc/98/29/16/638982916.db2.gz SECGLALLNXLHAT-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999497889 638982920 /nfs/dbraw/zinc/98/29/20/638982920.db2.gz SECGLALLNXLHAT-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000999714419 638992836 /nfs/dbraw/zinc/99/28/36/638992836.db2.gz PKTFQKKJIPZLEB-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001000195110 639051183 /nfs/dbraw/zinc/05/11/83/639051183.db2.gz XKBQXKVSJYKATQ-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001000521806 639109258 /nfs/dbraw/zinc/10/92/58/639109258.db2.gz OFQQUCYAOJWZQU-AWEZNQCLSA-N 2 1 261.369 0.462 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001000521806 639109263 /nfs/dbraw/zinc/10/92/63/639109263.db2.gz OFQQUCYAOJWZQU-AWEZNQCLSA-N 2 1 261.369 0.462 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001000521806 639109269 /nfs/dbraw/zinc/10/92/69/639109269.db2.gz OFQQUCYAOJWZQU-AWEZNQCLSA-N 2 1 261.369 0.462 20 30 CCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001000545692 639118262 /nfs/dbraw/zinc/11/82/62/639118262.db2.gz ATNIASCOWROXNQ-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001000545692 639118263 /nfs/dbraw/zinc/11/82/63/639118263.db2.gz ATNIASCOWROXNQ-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000545692 639118264 /nfs/dbraw/zinc/11/82/64/639118264.db2.gz ATNIASCOWROXNQ-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000545692 639118265 /nfs/dbraw/zinc/11/82/65/639118265.db2.gz ATNIASCOWROXNQ-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001002138841 639371790 /nfs/dbraw/zinc/37/17/90/639371790.db2.gz PZTXJECJIMSSLX-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002138841 639371795 /nfs/dbraw/zinc/37/17/95/639371795.db2.gz PZTXJECJIMSSLX-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005574749 639940408 /nfs/dbraw/zinc/94/04/08/639940408.db2.gz MTBDIQWRCHLEKU-UKRRQHHQSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005574749 639940414 /nfs/dbraw/zinc/94/04/14/639940414.db2.gz MTBDIQWRCHLEKU-UKRRQHHQSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015292528 650551715 /nfs/dbraw/zinc/55/17/15/650551715.db2.gz DHNYTFFHFZROGW-CYBMUJFWSA-N 2 1 260.341 0.405 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015292528 650551717 /nfs/dbraw/zinc/55/17/17/650551717.db2.gz DHNYTFFHFZROGW-CYBMUJFWSA-N 2 1 260.341 0.405 20 30 CCEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923330258 640082619 /nfs/dbraw/zinc/08/26/19/640082619.db2.gz BFMUKNACUVNYBW-ZDUSSCGKSA-N 2 1 275.352 0.769 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387536 650561550 /nfs/dbraw/zinc/56/15/50/650561550.db2.gz MHCGYJUBBFTZNB-CABCVRRESA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387536 650561553 /nfs/dbraw/zinc/56/15/53/650561553.db2.gz MHCGYJUBBFTZNB-CABCVRRESA-N 2 1 275.396 0.685 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015994587 650670652 /nfs/dbraw/zinc/67/06/52/650670652.db2.gz JPTOPIYUMAHBMJ-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015994587 650670654 /nfs/dbraw/zinc/67/06/54/650670654.db2.gz JPTOPIYUMAHBMJ-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015994587 650670657 /nfs/dbraw/zinc/67/06/57/650670657.db2.gz JPTOPIYUMAHBMJ-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP Cc1[nH+]ccn1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852862563 644029616 /nfs/dbraw/zinc/02/96/16/644029616.db2.gz BKHWRVHVTFJVJU-UHFFFAOYSA-N 2 1 260.341 0.311 20 30 CCEDMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852885009 644042268 /nfs/dbraw/zinc/04/22/68/644042268.db2.gz RLNGLYVGYKUJJU-DZGCQCFKSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020145575 651044019 /nfs/dbraw/zinc/04/40/19/651044019.db2.gz NTRRBVBJJWNZGI-IHRRRGAJSA-N 2 1 263.385 0.729 20 30 CCEDMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876727102 646650546 /nfs/dbraw/zinc/65/05/46/646650546.db2.gz FCNOMBRWPPFEOI-BBRMVZONSA-N 2 1 298.390 0.813 20 30 CCEDMP C[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000303874333 649825994 /nfs/dbraw/zinc/82/59/94/649825994.db2.gz HDKCKNVADVPWCA-GJZGRUSLSA-N 2 1 295.475 0.917 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1 ZINC000303898042 649826432 /nfs/dbraw/zinc/82/64/32/649826432.db2.gz QZISZITWZNQRRZ-KBPBESRZSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)C1 ZINC000303898042 649826433 /nfs/dbraw/zinc/82/64/33/649826433.db2.gz QZISZITWZNQRRZ-KBPBESRZSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)C1 ZINC000303898042 649826435 /nfs/dbraw/zinc/82/64/35/649826435.db2.gz QZISZITWZNQRRZ-KBPBESRZSA-N 3 1 281.448 0.717 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCC1CC1 ZINC000304464736 649836261 /nfs/dbraw/zinc/83/62/61/649836261.db2.gz AYROUACQGGZEHI-UHFFFAOYSA-N 2 1 254.378 0.413 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](C)C1 ZINC000304751635 649838303 /nfs/dbraw/zinc/83/83/03/649838303.db2.gz JMSODNBWLQWCHQ-KGLIPLIRSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000304751635 649838304 /nfs/dbraw/zinc/83/83/04/649838304.db2.gz JMSODNBWLQWCHQ-KGLIPLIRSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000304751635 649838306 /nfs/dbraw/zinc/83/83/06/649838306.db2.gz JMSODNBWLQWCHQ-KGLIPLIRSA-N 3 1 281.448 0.717 20 30 CCEDMP CC(C)CCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304752008 649838340 /nfs/dbraw/zinc/83/83/40/649838340.db2.gz JUXSXSAMPAAYOZ-CYBMUJFWSA-N 2 1 270.421 0.905 20 30 CCEDMP C[C@H](CNC(=[NH2+])N1CCSCC1)C[NH+]1CCOCC1 ZINC000304752140 649838360 /nfs/dbraw/zinc/83/83/60/649838360.db2.gz JWWBDMYHBPLMBF-GFCCVEGCSA-N 2 1 286.445 0.318 20 30 CCEDMP C[C@H](CNC(=[NH2+])N1CCCCC1)C[NH+]1CCOCC1 ZINC000304764945 649838883 /nfs/dbraw/zinc/83/88/83/649838883.db2.gz YQVFQVLRBOBHQC-CYBMUJFWSA-N 2 1 268.405 0.755 20 30 CCEDMP C[N@H+]1CCCN(CCNC(=[NH2+])N2CCCCCC2)CC1 ZINC000305060074 649840822 /nfs/dbraw/zinc/84/08/22/649840822.db2.gz KSRSHMBVGXHLSY-UHFFFAOYSA-N 2 1 281.448 0.815 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266322850 790504126 /nfs/dbraw/zinc/50/41/26/790504126.db2.gz PBFCWAPBXPAJEF-AWEZNQCLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001266323177 790505049 /nfs/dbraw/zinc/50/50/49/790505049.db2.gz WGDYODQAOFLVFT-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001266412458 790656858 /nfs/dbraw/zinc/65/68/58/790656858.db2.gz UCLGQXQSJPNDPD-GJZGRUSLSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266453383 790744133 /nfs/dbraw/zinc/74/41/33/790744133.db2.gz DUNHQGVACLXLFQ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001266453383 790744144 /nfs/dbraw/zinc/74/41/44/790744144.db2.gz DUNHQGVACLXLFQ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001266453383 790744152 /nfs/dbraw/zinc/74/41/52/790744152.db2.gz DUNHQGVACLXLFQ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001266579300 790967226 /nfs/dbraw/zinc/96/72/26/790967226.db2.gz MKHPLRJULIOQGG-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266579300 790967233 /nfs/dbraw/zinc/96/72/33/790967233.db2.gz MKHPLRJULIOQGG-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266579300 790967241 /nfs/dbraw/zinc/96/72/41/790967241.db2.gz MKHPLRJULIOQGG-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[NH+](CCC)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001266579300 790967248 /nfs/dbraw/zinc/96/72/48/790967248.db2.gz MKHPLRJULIOQGG-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[NH+](CCC)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001266579300 790967253 /nfs/dbraw/zinc/96/72/53/790967253.db2.gz MKHPLRJULIOQGG-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001266579168 790968361 /nfs/dbraw/zinc/96/83/61/790968361.db2.gz HCIUHQNYXHMKQX-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+](CCC)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266579168 790968367 /nfs/dbraw/zinc/96/83/67/790968367.db2.gz HCIUHQNYXHMKQX-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@@H+](CCC)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266579168 790968370 /nfs/dbraw/zinc/96/83/70/790968370.db2.gz HCIUHQNYXHMKQX-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+](CCC)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001266579168 790968375 /nfs/dbraw/zinc/96/83/75/790968375.db2.gz HCIUHQNYXHMKQX-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+](CCC)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001266579168 790968379 /nfs/dbraw/zinc/96/83/79/790968379.db2.gz HCIUHQNYXHMKQX-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231367739 805785017 /nfs/dbraw/zinc/78/50/17/805785017.db2.gz DMFXUJAITWUFLN-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231367739 805785020 /nfs/dbraw/zinc/78/50/20/805785020.db2.gz DMFXUJAITWUFLN-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001231367739 805785025 /nfs/dbraw/zinc/78/50/25/805785025.db2.gz DMFXUJAITWUFLN-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001231367739 805785031 /nfs/dbraw/zinc/78/50/31/805785031.db2.gz DMFXUJAITWUFLN-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561466 791486789 /nfs/dbraw/zinc/48/67/89/791486789.db2.gz FIYNEYKDWNOZPG-UHFFFAOYSA-N 2 1 293.411 0.001 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038251892 793226043 /nfs/dbraw/zinc/22/60/43/793226043.db2.gz IYNHRVKEYOGWBH-KGLIPLIRSA-N 2 1 263.385 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038251892 793226050 /nfs/dbraw/zinc/22/60/50/793226050.db2.gz IYNHRVKEYOGWBH-KGLIPLIRSA-N 2 1 263.385 0.705 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223535 793258306 /nfs/dbraw/zinc/25/83/06/793258306.db2.gz PPVNPSLBTGIEPZ-MCIONIFRSA-N 2 1 273.380 0.437 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223535 793258312 /nfs/dbraw/zinc/25/83/12/793258312.db2.gz PPVNPSLBTGIEPZ-MCIONIFRSA-N 2 1 273.380 0.437 20 30 CCEDMP C#Cc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1 ZINC001234990952 806337776 /nfs/dbraw/zinc/33/77/76/806337776.db2.gz VFFLPIFAGMXLCK-MRXNPFEDSA-N 2 1 255.365 0.805 20 30 CCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001278105840 806675762 /nfs/dbraw/zinc/67/57/62/806675762.db2.gz PTNHBHXLPABFMU-QWHCGFSZSA-N 2 1 269.389 0.114 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001149850046 800303292 /nfs/dbraw/zinc/30/32/92/800303292.db2.gz YGKMQYLDIDTCJV-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149850046 800303295 /nfs/dbraw/zinc/30/32/95/800303295.db2.gz YGKMQYLDIDTCJV-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149850046 800303297 /nfs/dbraw/zinc/30/32/97/800303297.db2.gz YGKMQYLDIDTCJV-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149850046 800303302 /nfs/dbraw/zinc/30/33/02/800303302.db2.gz YGKMQYLDIDTCJV-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150185335 800323121 /nfs/dbraw/zinc/32/31/21/800323121.db2.gz CJCJXKHXJLZZRO-CQSZACIVSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150185335 800323128 /nfs/dbraw/zinc/32/31/28/800323128.db2.gz CJCJXKHXJLZZRO-CQSZACIVSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152457398 800526269 /nfs/dbraw/zinc/52/62/69/800526269.db2.gz DAGAXUWGOYHGFK-CQSZACIVSA-N 2 1 283.416 0.769 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001159335296 801795112 /nfs/dbraw/zinc/79/51/12/801795112.db2.gz XUKZXSSQMHCSRR-CQSZACIVSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=C)Cl ZINC001160192125 801918555 /nfs/dbraw/zinc/91/85/55/801918555.db2.gz YDRRRGGHPJEEGD-ZDUSSCGKSA-N 2 1 283.803 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=C)Cl ZINC001160192125 801918563 /nfs/dbraw/zinc/91/85/63/801918563.db2.gz YDRRRGGHPJEEGD-ZDUSSCGKSA-N 2 1 283.803 0.932 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161722657 802209137 /nfs/dbraw/zinc/20/91/37/802209137.db2.gz BPZNLTGTCPNTBT-UHFFFAOYSA-N 2 1 287.407 0.854 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)c2ncoc2C[NH3+])CC1 ZINC001262035895 809168309 /nfs/dbraw/zinc/16/83/09/809168309.db2.gz YXXFMTJUHQMXAR-UHFFFAOYSA-N 2 1 264.329 0.514 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166744165 802955535 /nfs/dbraw/zinc/95/55/35/802955535.db2.gz KOWVNBHNQSRMDR-UHFFFAOYSA-N 2 1 297.443 0.710 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001276468011 803086070 /nfs/dbraw/zinc/08/60/70/803086070.db2.gz FGZUYWPIDIDBMA-GFCCVEGCSA-N 2 1 253.390 0.949 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c1 ZINC001205241555 803129153 /nfs/dbraw/zinc/12/91/53/803129153.db2.gz SSZFMSVPBGNJRO-OAHLLOKOSA-N 2 1 275.352 0.940 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c1 ZINC001205241555 803129155 /nfs/dbraw/zinc/12/91/55/803129155.db2.gz SSZFMSVPBGNJRO-OAHLLOKOSA-N 2 1 275.352 0.940 20 30 CCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205516335 803145835 /nfs/dbraw/zinc/14/58/35/803145835.db2.gz ZPHHNXCMWGNUEM-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205516335 803145840 /nfs/dbraw/zinc/14/58/40/803145840.db2.gz ZPHHNXCMWGNUEM-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP N#Cc1ccc(CCC[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206464691 803247232 /nfs/dbraw/zinc/24/72/32/803247232.db2.gz SALGAIPFIBCZIO-LSDHHAIUSA-N 2 1 259.353 0.742 20 30 CCEDMP N#Cc1cccc2c(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c[nH]c21 ZINC001206469631 803248845 /nfs/dbraw/zinc/24/88/45/803248845.db2.gz SHUWLBSYUOFWMK-SMDDNHRTSA-N 2 1 270.336 0.791 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207689528 803439324 /nfs/dbraw/zinc/43/93/24/803439324.db2.gz ZYRMFGYHNWSOGA-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208571467 803524485 /nfs/dbraw/zinc/52/44/85/803524485.db2.gz DQOWADCTCIVNJG-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210145057 803639582 /nfs/dbraw/zinc/63/95/82/803639582.db2.gz DGZYWOCKYHHMSP-HNNXBMFYSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938792 803829448 /nfs/dbraw/zinc/82/94/48/803829448.db2.gz NFUYGOBLFBHJJV-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752522 803853995 /nfs/dbraw/zinc/85/39/95/803853995.db2.gz SICADWFIHAFHKG-HZSPNIEDSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219904959 804445233 /nfs/dbraw/zinc/44/52/33/804445233.db2.gz PUGBGTGVKQZKNP-KGLIPLIRSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219904959 804445236 /nfs/dbraw/zinc/44/52/36/804445236.db2.gz PUGBGTGVKQZKNP-KGLIPLIRSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219904959 804445241 /nfs/dbraw/zinc/44/52/41/804445241.db2.gz PUGBGTGVKQZKNP-KGLIPLIRSA-N 2 1 297.443 0.844 20 30 CCEDMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001220158566 804519736 /nfs/dbraw/zinc/51/97/36/804519736.db2.gz BAJYRUAHVWYAQJ-GJZGRUSLSA-N 2 1 286.379 0.638 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345033 804579930 /nfs/dbraw/zinc/57/99/30/804579930.db2.gz NBDWPLJYDVJXLG-ILXRZTDVSA-N 2 1 297.443 0.844 20 30 CCEDMP N#Cc1ccc(CNC(=O)C[NH2+]C2CC[NH2+]CC2)cc1F ZINC001220449210 804607864 /nfs/dbraw/zinc/60/78/64/804607864.db2.gz OYWCQMVODYLIHO-UHFFFAOYSA-N 2 1 290.342 0.655 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001277094241 805187033 /nfs/dbraw/zinc/18/70/33/805187033.db2.gz PEDJZOYRMDOPLX-KGLIPLIRSA-N 2 1 275.396 0.875 20 30 CCEDMP C=CCC[C@@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246024154 807122099 /nfs/dbraw/zinc/12/20/99/807122099.db2.gz OXHYIHYPTXJHOJ-RDBSUJKOSA-N 2 1 253.390 0.339 20 30 CCEDMP C=C[C@](C)(O)C[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246046762 807132518 /nfs/dbraw/zinc/13/25/18/807132518.db2.gz PATPFJWBWWTUDS-WALBABNVSA-N 2 1 294.395 0.254 20 30 CCEDMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCC#CC[NH+](C)C ZINC001251708110 807697102 /nfs/dbraw/zinc/69/71/02/807697102.db2.gz KKFFBGHHCXPARG-CYBMUJFWSA-N 2 1 266.389 0.287 20 30 CCEDMP C#CCOC[C@H](O)C[NH2+]CCC[N@H+](C)CCCC ZINC001251885359 807735458 /nfs/dbraw/zinc/73/54/58/807735458.db2.gz TYVMRGCFBITAOS-CQSZACIVSA-N 2 1 256.390 0.709 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001278761305 808179492 /nfs/dbraw/zinc/17/94/92/808179492.db2.gz DFUUTTNNPYGMDI-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278777107 808214248 /nfs/dbraw/zinc/21/42/48/808214248.db2.gz SUPCPPOWSWIFPJ-HOCLYGCPSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001278827437 808299010 /nfs/dbraw/zinc/29/90/10/808299010.db2.gz NKRBLCDPGKTYEM-UONOGXRCSA-N 2 1 283.416 0.313 20 30 CCEDMP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)CC ZINC001278878084 808418979 /nfs/dbraw/zinc/41/89/79/808418979.db2.gz HWSIYTDQEULXDE-AWEZNQCLSA-N 2 1 283.416 0.103 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC001263101331 809444119 /nfs/dbraw/zinc/44/41/19/809444119.db2.gz PIOHRRFUKBBGOP-GJZGRUSLSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076461890 815300275 /nfs/dbraw/zinc/30/02/75/815300275.db2.gz AIUUYSCMNIIWCW-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076461890 815300282 /nfs/dbraw/zinc/30/02/82/815300282.db2.gz AIUUYSCMNIIWCW-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076461890 815300290 /nfs/dbraw/zinc/30/02/90/815300290.db2.gz AIUUYSCMNIIWCW-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001265036525 809696549 /nfs/dbraw/zinc/69/65/49/809696549.db2.gz GIWDCYQUPZQWHE-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CC=C)CC1 ZINC001265073230 809703349 /nfs/dbraw/zinc/70/33/49/809703349.db2.gz UOKQQDUPHWQOHL-UHFFFAOYSA-N 2 1 277.412 0.956 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001265436559 809779426 /nfs/dbraw/zinc/77/94/26/809779426.db2.gz KDLOOZMOCGWSNS-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001267278834 811085619 /nfs/dbraw/zinc/08/56/19/811085619.db2.gz RGGDHMOPVFJJOT-OAHLLOKOSA-N 2 1 293.411 0.313 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001267278834 811085626 /nfs/dbraw/zinc/08/56/26/811085626.db2.gz RGGDHMOPVFJJOT-OAHLLOKOSA-N 2 1 293.411 0.313 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001267278833 811085660 /nfs/dbraw/zinc/08/56/60/811085660.db2.gz RGGDHMOPVFJJOT-HNNXBMFYSA-N 2 1 293.411 0.313 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001267278833 811085667 /nfs/dbraw/zinc/08/56/67/811085667.db2.gz RGGDHMOPVFJJOT-HNNXBMFYSA-N 2 1 293.411 0.313 20 30 CCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267282943 811092414 /nfs/dbraw/zinc/09/24/14/811092414.db2.gz SSDMFSLTDOJVKO-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267282943 811092426 /nfs/dbraw/zinc/09/24/26/811092426.db2.gz SSDMFSLTDOJVKO-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267282943 811092434 /nfs/dbraw/zinc/09/24/34/811092434.db2.gz SSDMFSLTDOJVKO-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076987245 815428846 /nfs/dbraw/zinc/42/88/46/815428846.db2.gz IDWUCSSOZSERTG-RBSFLKMASA-N 2 1 295.427 0.597 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001076987245 815428850 /nfs/dbraw/zinc/42/88/50/815428850.db2.gz IDWUCSSOZSERTG-RBSFLKMASA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(Cl)C[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001267403121 811283350 /nfs/dbraw/zinc/28/33/50/811283350.db2.gz VHBNIPLVBFCLRL-UHFFFAOYSA-N 2 1 270.764 0.992 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083274326 811427909 /nfs/dbraw/zinc/42/79/09/811427909.db2.gz HPJXGNGJKTVABQ-QLFBSQMISA-N 2 1 293.411 0.426 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274326 811427913 /nfs/dbraw/zinc/42/79/13/811427913.db2.gz HPJXGNGJKTVABQ-QLFBSQMISA-N 2 1 293.411 0.426 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274326 811427915 /nfs/dbraw/zinc/42/79/15/811427915.db2.gz HPJXGNGJKTVABQ-QLFBSQMISA-N 2 1 293.411 0.426 20 30 CCEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001279746275 811633297 /nfs/dbraw/zinc/63/32/97/811633297.db2.gz KBSZWGFLIMDLMX-HUUCEWRRSA-N 2 1 293.411 0.047 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001267695663 811661098 /nfs/dbraw/zinc/66/10/98/811661098.db2.gz DCVLZGLAZHHRFD-UHFFFAOYSA-N 2 1 251.374 0.400 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001267695663 811661102 /nfs/dbraw/zinc/66/11/02/811661102.db2.gz DCVLZGLAZHHRFD-UHFFFAOYSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267999946 811936156 /nfs/dbraw/zinc/93/61/56/811936156.db2.gz GBGDFULTMRTCMT-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC001268032288 812048436 /nfs/dbraw/zinc/04/84/36/812048436.db2.gz WOTLRCRQTUOWLZ-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001268032288 812048445 /nfs/dbraw/zinc/04/84/45/812048445.db2.gz WOTLRCRQTUOWLZ-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268101313 812260476 /nfs/dbraw/zinc/26/04/76/812260476.db2.gz WMIQYRJBFHWMOH-OLZOCXBDSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001268321703 812485285 /nfs/dbraw/zinc/48/52/85/812485285.db2.gz UZJUVYABJOVCQD-KBPBESRZSA-N 2 1 283.416 0.361 20 30 CCEDMP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001268551424 812792191 /nfs/dbraw/zinc/79/21/91/812792191.db2.gz AYCQNUJGRXPINM-LFAOLKIESA-N 2 1 273.380 0.369 20 30 CCEDMP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001268551424 812792194 /nfs/dbraw/zinc/79/21/94/812792194.db2.gz AYCQNUJGRXPINM-LFAOLKIESA-N 2 1 273.380 0.369 20 30 CCEDMP C#CCC[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268590008 812877137 /nfs/dbraw/zinc/87/71/37/812877137.db2.gz BOARTECLLBRZPG-GXMNPTEKSA-N 2 1 263.385 0.614 20 30 CCEDMP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001268700030 813019052 /nfs/dbraw/zinc/01/90/52/813019052.db2.gz BWCPUNSSHYLZDL-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001268747616 813059549 /nfs/dbraw/zinc/05/95/49/813059549.db2.gz STOFZNMCKIGRCW-STQMWFEESA-N 2 1 253.390 0.786 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001269247450 813287537 /nfs/dbraw/zinc/28/75/37/813287537.db2.gz HVCVNGDSOBKANO-KBPBESRZSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001269247450 813287542 /nfs/dbraw/zinc/28/75/42/813287542.db2.gz HVCVNGDSOBKANO-KBPBESRZSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2ccnc2)C1 ZINC001269264345 813296676 /nfs/dbraw/zinc/29/66/76/813296676.db2.gz WUAPMGQUTMXSAE-ZDUSSCGKSA-N 2 1 260.341 0.439 20 30 CCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028986940 813726246 /nfs/dbraw/zinc/72/62/46/813726246.db2.gz VBXZQRRPZQVZDS-QWHCGFSZSA-N 2 1 251.374 0.562 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028986940 813726251 /nfs/dbraw/zinc/72/62/51/813726251.db2.gz VBXZQRRPZQVZDS-QWHCGFSZSA-N 2 1 251.374 0.562 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028986940 813726258 /nfs/dbraw/zinc/72/62/58/813726258.db2.gz VBXZQRRPZQVZDS-QWHCGFSZSA-N 2 1 251.374 0.562 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001028996331 813736468 /nfs/dbraw/zinc/73/64/68/813736468.db2.gz DWQIJTPHOJOLQE-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028996331 813736470 /nfs/dbraw/zinc/73/64/70/813736470.db2.gz DWQIJTPHOJOLQE-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028996331 813736472 /nfs/dbraw/zinc/73/64/72/813736472.db2.gz DWQIJTPHOJOLQE-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028996331 813736474 /nfs/dbraw/zinc/73/64/74/813736474.db2.gz DWQIJTPHOJOLQE-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028997306 813737576 /nfs/dbraw/zinc/73/75/76/813737576.db2.gz QXDBMYDPRXLVIM-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028997306 813737582 /nfs/dbraw/zinc/73/75/82/813737582.db2.gz QXDBMYDPRXLVIM-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028997306 813737589 /nfs/dbraw/zinc/73/75/89/813737589.db2.gz QXDBMYDPRXLVIM-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028997306 813737596 /nfs/dbraw/zinc/73/75/96/813737596.db2.gz QXDBMYDPRXLVIM-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001029002351 813744378 /nfs/dbraw/zinc/74/43/78/813744378.db2.gz PRXDGVIBISSRRV-OAHLLOKOSA-N 2 1 287.407 0.403 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001029003255 813746185 /nfs/dbraw/zinc/74/61/85/813746185.db2.gz JSQUIGXUCWPMAP-AWEZNQCLSA-N 2 1 295.402 0.739 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H]1CC ZINC001087621598 814176389 /nfs/dbraw/zinc/17/63/89/814176389.db2.gz BLIFRIWIKQYCON-LXTVHRRPSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087621598 814176397 /nfs/dbraw/zinc/17/63/97/814176397.db2.gz BLIFRIWIKQYCON-LXTVHRRPSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087621598 814176400 /nfs/dbraw/zinc/17/64/00/814176400.db2.gz BLIFRIWIKQYCON-LXTVHRRPSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087621598 814176402 /nfs/dbraw/zinc/17/64/02/814176402.db2.gz BLIFRIWIKQYCON-LXTVHRRPSA-N 2 1 293.411 0.308 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087909131 814268956 /nfs/dbraw/zinc/26/89/56/814268956.db2.gz ZINNGLJYYISFAY-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087909131 814268960 /nfs/dbraw/zinc/26/89/60/814268960.db2.gz ZINNGLJYYISFAY-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087909131 814268963 /nfs/dbraw/zinc/26/89/63/814268963.db2.gz ZINNGLJYYISFAY-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199755 814443904 /nfs/dbraw/zinc/44/39/04/814443904.db2.gz BPVWJDUSSXFVEU-PMPSAXMXSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199755 814443909 /nfs/dbraw/zinc/44/39/09/814443909.db2.gz BPVWJDUSSXFVEU-PMPSAXMXSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199755 814443912 /nfs/dbraw/zinc/44/39/12/814443912.db2.gz BPVWJDUSSXFVEU-PMPSAXMXSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088201516 814446604 /nfs/dbraw/zinc/44/66/04/814446604.db2.gz GQLWTUNPCRAEHY-CVEARBPZSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088572018 814923628 /nfs/dbraw/zinc/92/36/28/814923628.db2.gz VEJSNKUHPUKJMU-SNPRPXQTSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127065520 815621038 /nfs/dbraw/zinc/62/10/38/815621038.db2.gz AICUSKFAIVSUSR-CYBMUJFWSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255345 816465968 /nfs/dbraw/zinc/46/59/68/816465968.db2.gz IVFXRFLFVHPRAW-KGLIPLIRSA-N 2 1 263.385 0.590 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001030958512 816503256 /nfs/dbraw/zinc/50/32/56/816503256.db2.gz MBTKOEMLHYDFIF-LBPRGKRZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001030958512 816503260 /nfs/dbraw/zinc/50/32/60/816503260.db2.gz MBTKOEMLHYDFIF-LBPRGKRZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389663 817023156 /nfs/dbraw/zinc/02/31/56/817023156.db2.gz UUAGDUVDSTVXAS-UHFFFAOYSA-N 2 1 251.374 0.849 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCC)C2)CC1 ZINC001031434785 817053477 /nfs/dbraw/zinc/05/34/77/817053477.db2.gz FBZFJYCVGUCXOO-UHFFFAOYSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031728956 817295602 /nfs/dbraw/zinc/29/56/02/817295602.db2.gz DSQYWWMHRRNKGS-OAHLLOKOSA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031728956 817295607 /nfs/dbraw/zinc/29/56/07/817295607.db2.gz DSQYWWMHRRNKGS-OAHLLOKOSA-N 2 1 277.412 0.646 20 30 CCEDMP C=CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031919644 817465466 /nfs/dbraw/zinc/46/54/66/817465466.db2.gz GJGGWTKQHPVMBQ-CQSZACIVSA-N 2 1 281.400 0.330 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032132010 817658573 /nfs/dbraw/zinc/65/85/73/817658573.db2.gz ZUMBMOFATDUDIT-UHFFFAOYSA-N 2 1 261.369 0.154 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781439 817685967 /nfs/dbraw/zinc/68/59/67/817685967.db2.gz HWIULBYEJYYAFG-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107039434 817692855 /nfs/dbraw/zinc/69/28/55/817692855.db2.gz RMLKAVVTPVWRGZ-ZIAGYGMSSA-N 2 1 265.401 0.644 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001032197741 817694406 /nfs/dbraw/zinc/69/44/06/817694406.db2.gz UQUUZCKZANGGGZ-AWEZNQCLSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001032197741 817694412 /nfs/dbraw/zinc/69/44/12/817694412.db2.gz UQUUZCKZANGGGZ-AWEZNQCLSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785811 817868568 /nfs/dbraw/zinc/86/85/68/817868568.db2.gz QSGMUBYDYXRJCB-KBPBESRZSA-N 2 1 281.400 0.522 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032975372 818400379 /nfs/dbraw/zinc/40/03/79/818400379.db2.gz IWFMZJHNDBVCEV-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032975372 818400381 /nfs/dbraw/zinc/40/03/81/818400381.db2.gz IWFMZJHNDBVCEV-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032975372 818400385 /nfs/dbraw/zinc/40/03/85/818400385.db2.gz IWFMZJHNDBVCEV-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032975372 818400390 /nfs/dbraw/zinc/40/03/90/818400390.db2.gz IWFMZJHNDBVCEV-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033180677 818631206 /nfs/dbraw/zinc/63/12/06/818631206.db2.gz ARRXRQACPKNNCN-MGPQQGTHSA-N 2 1 281.400 0.424 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033180677 818631210 /nfs/dbraw/zinc/63/12/10/818631210.db2.gz ARRXRQACPKNNCN-MGPQQGTHSA-N 2 1 281.400 0.424 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033180677 818631213 /nfs/dbraw/zinc/63/12/13/818631213.db2.gz ARRXRQACPKNNCN-MGPQQGTHSA-N 2 1 281.400 0.424 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033180677 818631218 /nfs/dbraw/zinc/63/12/18/818631218.db2.gz ARRXRQACPKNNCN-MGPQQGTHSA-N 2 1 281.400 0.424 20 30 CCEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034149689 819096618 /nfs/dbraw/zinc/09/66/18/819096618.db2.gz ZFXWIZZHHLJPDD-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034149689 819096621 /nfs/dbraw/zinc/09/66/21/819096621.db2.gz ZFXWIZZHHLJPDD-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149689 819096629 /nfs/dbraw/zinc/09/66/29/819096629.db2.gz ZFXWIZZHHLJPDD-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149689 819096634 /nfs/dbraw/zinc/09/66/34/819096634.db2.gz ZFXWIZZHHLJPDD-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034274341 819150517 /nfs/dbraw/zinc/15/05/17/819150517.db2.gz TUQDNPVKZRYZNU-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034274341 819150520 /nfs/dbraw/zinc/15/05/20/819150520.db2.gz TUQDNPVKZRYZNU-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034274341 819150523 /nfs/dbraw/zinc/15/05/23/819150523.db2.gz TUQDNPVKZRYZNU-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034274341 819150525 /nfs/dbraw/zinc/15/05/25/819150525.db2.gz TUQDNPVKZRYZNU-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000705911239 819588822 /nfs/dbraw/zinc/58/88/22/819588822.db2.gz PZKNDALIFHOHMQ-UHFFFAOYSA-N 2 1 277.412 0.934 20 30 CCEDMP C#CCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001273154564 819995728 /nfs/dbraw/zinc/99/57/28/819995728.db2.gz PZOIPDZHKHUACZ-CQSZACIVSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080377441 820555215 /nfs/dbraw/zinc/55/52/15/820555215.db2.gz RCDQPLREMLZMAH-TZMCWYRMSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082134072 820905956 /nfs/dbraw/zinc/90/59/56/820905956.db2.gz ZGYRKZMGGJWMFG-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393968 821095050 /nfs/dbraw/zinc/09/50/50/821095050.db2.gz SAQPKYOLOLIINC-UONOGXRCSA-N 2 1 293.411 0.352 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084661686 821341788 /nfs/dbraw/zinc/34/17/88/821341788.db2.gz DYOAMFTXVZDHQE-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084661686 821341796 /nfs/dbraw/zinc/34/17/96/821341796.db2.gz DYOAMFTXVZDHQE-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084661686 821341805 /nfs/dbraw/zinc/34/18/05/821341805.db2.gz DYOAMFTXVZDHQE-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084661686 821341813 /nfs/dbraw/zinc/34/18/13/821341813.db2.gz DYOAMFTXVZDHQE-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001085149572 821517878 /nfs/dbraw/zinc/51/78/78/821517878.db2.gz XPDYUBIBXGODKB-MCIONIFRSA-N 2 1 263.385 0.731 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001273292515 821553215 /nfs/dbraw/zinc/55/32/15/821553215.db2.gz WPUJENQWGOSFNF-AWEZNQCLSA-N 2 1 290.367 0.032 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598758 821843621 /nfs/dbraw/zinc/84/36/21/821843621.db2.gz ZOCZIWNOPJHXOH-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598758 821843631 /nfs/dbraw/zinc/84/36/31/821843631.db2.gz ZOCZIWNOPJHXOH-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085605931 821845527 /nfs/dbraw/zinc/84/55/27/821845527.db2.gz YCPVTFJWHJHFFX-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085605931 821845536 /nfs/dbraw/zinc/84/55/36/821845536.db2.gz YCPVTFJWHJHFFX-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085605931 821845545 /nfs/dbraw/zinc/84/55/45/821845545.db2.gz YCPVTFJWHJHFFX-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001273359019 821927016 /nfs/dbraw/zinc/92/70/16/821927016.db2.gz QRKRIAQZXZLSHO-CQSZACIVSA-N 2 1 290.367 0.032 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001086365227 822226514 /nfs/dbraw/zinc/22/65/14/822226514.db2.gz JHOHKKUZDBVSBE-FPCVCCKLSA-N 2 1 289.423 0.978 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076768 822236187 /nfs/dbraw/zinc/23/61/87/822236187.db2.gz QWLRWLDZEAYYIM-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100083083 822254283 /nfs/dbraw/zinc/25/42/83/822254283.db2.gz MVBCNNONSXBRSF-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001086477990 822273695 /nfs/dbraw/zinc/27/36/95/822273695.db2.gz FFYOHCQBFZJLSL-XUXIUFHCSA-N 2 1 265.401 0.855 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)CC ZINC001129770382 837558413 /nfs/dbraw/zinc/55/84/13/837558413.db2.gz FHBCYRKARQUEPV-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)CC ZINC001129770382 837558418 /nfs/dbraw/zinc/55/84/18/837558418.db2.gz FHBCYRKARQUEPV-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013006 836763597 /nfs/dbraw/zinc/76/35/97/836763597.db2.gz DAJMJSATRFSNGL-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013006 836763599 /nfs/dbraw/zinc/76/35/99/836763599.db2.gz DAJMJSATRFSNGL-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001157013006 836763604 /nfs/dbraw/zinc/76/36/04/836763604.db2.gz DAJMJSATRFSNGL-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001157013006 836763605 /nfs/dbraw/zinc/76/36/05/836763605.db2.gz DAJMJSATRFSNGL-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131423924 838088170 /nfs/dbraw/zinc/08/81/70/838088170.db2.gz DDRUWIMPVBUFDI-UHFFFAOYSA-N 2 1 274.368 0.491 20 30 CCEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277411 838352344 /nfs/dbraw/zinc/35/23/44/838352344.db2.gz GWGCPNCBPWRAHP-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132423583 838389730 /nfs/dbraw/zinc/38/97/30/838389730.db2.gz ARULLNSKOLGTNB-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132522232 838426284 /nfs/dbraw/zinc/42/62/84/838426284.db2.gz NFIACQIKDXISHU-UONOGXRCSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132522232 838426286 /nfs/dbraw/zinc/42/62/86/838426286.db2.gz NFIACQIKDXISHU-UONOGXRCSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132522232 838426289 /nfs/dbraw/zinc/42/62/89/838426289.db2.gz NFIACQIKDXISHU-UONOGXRCSA-N 2 1 265.401 0.929 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848643 838506373 /nfs/dbraw/zinc/50/63/73/838506373.db2.gz NQIOGONEBXNGBT-AWEZNQCLSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133313252 838597979 /nfs/dbraw/zinc/59/79/79/838597979.db2.gz BYXFMUJQTHFNBS-DZGCQCFKSA-N 2 1 288.395 0.899 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133850609 838739078 /nfs/dbraw/zinc/73/90/78/838739078.db2.gz OFNQALQWKHCFMN-AWEZNQCLSA-N 2 1 269.364 0.538 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133863791 838753945 /nfs/dbraw/zinc/75/39/45/838753945.db2.gz POOPYEZOCNWNED-OLZOCXBDSA-N 2 1 253.390 0.856 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133865535 838756525 /nfs/dbraw/zinc/75/65/25/838756525.db2.gz FCPKJNSLEHHSPM-ONGXEEELSA-N 2 1 259.781 0.642 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570397 839009539 /nfs/dbraw/zinc/00/95/39/839009539.db2.gz OKJSMTJORDUMAU-UHFFFAOYSA-N 2 1 262.357 0.736 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730096 839760892 /nfs/dbraw/zinc/76/08/92/839760892.db2.gz FWZCNRDPXAFMHJ-ZIAGYGMSSA-N 2 1 293.411 0.210 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090809506 839826171 /nfs/dbraw/zinc/82/61/71/839826171.db2.gz UIOJRWZKYZQPKS-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090809506 839826176 /nfs/dbraw/zinc/82/61/76/839826176.db2.gz UIOJRWZKYZQPKS-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001091057807 840014624 /nfs/dbraw/zinc/01/46/24/840014624.db2.gz BZXUHKSABRGFCH-YMAMQOFZSA-N 2 1 277.412 0.978 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171217499 840125920 /nfs/dbraw/zinc/12/59/20/840125920.db2.gz OAVUGKCUXYJROB-CQSZACIVSA-N 2 1 281.400 0.074 20 30 CCEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210187 840762451 /nfs/dbraw/zinc/76/24/51/840762451.db2.gz IWYLFKDYKDQSAR-UHFFFAOYSA-N 2 1 293.411 0.122 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091758492 840900070 /nfs/dbraw/zinc/90/00/70/840900070.db2.gz DMRFQLIIXVFLQV-VYDXJSESSA-N 2 1 291.439 0.986 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092272942 841003403 /nfs/dbraw/zinc/00/34/03/841003403.db2.gz JHBGHYUIBXAEME-UXLLHSPISA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092272942 841003411 /nfs/dbraw/zinc/00/34/11/841003411.db2.gz JHBGHYUIBXAEME-UXLLHSPISA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523361 841031646 /nfs/dbraw/zinc/03/16/46/841031646.db2.gz HQVHVOUNPUFILD-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523361 841031653 /nfs/dbraw/zinc/03/16/53/841031653.db2.gz HQVHVOUNPUFILD-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523361 841031663 /nfs/dbraw/zinc/03/16/63/841031663.db2.gz HQVHVOUNPUFILD-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523361 841031667 /nfs/dbraw/zinc/03/16/67/841031667.db2.gz HQVHVOUNPUFILD-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)Cc3ncc[nH]3)CC[C@@H]21 ZINC001036855283 841382909 /nfs/dbraw/zinc/38/29/09/841382909.db2.gz YOTFWNDGRILAFZ-KBPBESRZSA-N 2 1 286.379 0.898 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178360107 842831975 /nfs/dbraw/zinc/83/19/75/842831975.db2.gz LBEFAHNGWQJMIC-MELADBBJSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001179856654 843063800 /nfs/dbraw/zinc/06/38/00/843063800.db2.gz FSKIJUWGEMYOHD-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106110 844646057 /nfs/dbraw/zinc/64/60/57/844646057.db2.gz BLZNAMNQATZSMV-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106111 844646137 /nfs/dbraw/zinc/64/61/37/844646137.db2.gz BLZNAMNQATZSMV-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001187321502 844691651 /nfs/dbraw/zinc/69/16/51/844691651.db2.gz AYVHKHCYSAWUNE-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151738294 844996207 /nfs/dbraw/zinc/99/62/07/844996207.db2.gz HMCXTFHDMYBRFG-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151738294 844996215 /nfs/dbraw/zinc/99/62/15/844996215.db2.gz HMCXTFHDMYBRFG-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238767 845372462 /nfs/dbraw/zinc/37/24/62/845372462.db2.gz PTUNYCYUIBQVDH-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238767 845372470 /nfs/dbraw/zinc/37/24/70/845372470.db2.gz PTUNYCYUIBQVDH-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238767 845372473 /nfs/dbraw/zinc/37/24/73/845372473.db2.gz PTUNYCYUIBQVDH-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP COCC#CC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001194883413 846410723 /nfs/dbraw/zinc/41/07/23/846410723.db2.gz OZJQGDOMJYXEPA-UHFFFAOYSA-N 2 1 255.406 0.452 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196132658 846689339 /nfs/dbraw/zinc/68/93/39/846689339.db2.gz ULIAKXRGGOJWQN-RBSFLKMASA-N 2 1 295.427 0.291 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196132658 846689343 /nfs/dbraw/zinc/68/93/43/846689343.db2.gz ULIAKXRGGOJWQN-RBSFLKMASA-N 2 1 295.427 0.291 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001196168331 846699898 /nfs/dbraw/zinc/69/98/98/846699898.db2.gz IUXDHXJPFHDRCO-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001196168331 846699902 /nfs/dbraw/zinc/69/99/02/846699902.db2.gz IUXDHXJPFHDRCO-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001196168331 846699906 /nfs/dbraw/zinc/69/99/06/846699906.db2.gz IUXDHXJPFHDRCO-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001196177377 846701916 /nfs/dbraw/zinc/70/19/16/846701916.db2.gz XUFPQDXZPZIDMB-RBSFLKMASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001196177377 846701929 /nfs/dbraw/zinc/70/19/29/846701929.db2.gz XUFPQDXZPZIDMB-RBSFLKMASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001196177377 846701941 /nfs/dbraw/zinc/70/19/41/846701941.db2.gz XUFPQDXZPZIDMB-RBSFLKMASA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197536116 846927908 /nfs/dbraw/zinc/92/79/08/846927908.db2.gz KEFSIMMQTDEXOV-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197536116 846927915 /nfs/dbraw/zinc/92/79/15/846927915.db2.gz KEFSIMMQTDEXOV-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197536116 846927919 /nfs/dbraw/zinc/92/79/19/846927919.db2.gz KEFSIMMQTDEXOV-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197954506 847008280 /nfs/dbraw/zinc/00/82/80/847008280.db2.gz DICWJXYHRMJPTF-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001198274121 847085789 /nfs/dbraw/zinc/08/57/89/847085789.db2.gz AWDTWDGEWBZEGD-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198274121 847085796 /nfs/dbraw/zinc/08/57/96/847085796.db2.gz AWDTWDGEWBZEGD-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198274121 847085807 /nfs/dbraw/zinc/08/58/07/847085807.db2.gz AWDTWDGEWBZEGD-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199128712 847226646 /nfs/dbraw/zinc/22/66/46/847226646.db2.gz SMANOGWKEXPCQG-RBSFLKMASA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199128712 847226662 /nfs/dbraw/zinc/22/66/62/847226662.db2.gz SMANOGWKEXPCQG-RBSFLKMASA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001199353258 847296560 /nfs/dbraw/zinc/29/65/60/847296560.db2.gz FKYLRAKEZILRPV-ZIAGYGMSSA-N 2 1 292.383 0.401 20 30 CCEDMP C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001199353258 847296572 /nfs/dbraw/zinc/29/65/72/847296572.db2.gz FKYLRAKEZILRPV-ZIAGYGMSSA-N 2 1 292.383 0.401 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001199405666 847325131 /nfs/dbraw/zinc/32/51/31/847325131.db2.gz ILSJLBOTKIZCNF-CHWSQXEVSA-N 2 1 278.356 0.011 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001201632145 847795375 /nfs/dbraw/zinc/79/53/75/847795375.db2.gz QUKUJAPYYGIORK-UHFFFAOYSA-N 2 1 274.368 0.795 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864366 847819720 /nfs/dbraw/zinc/81/97/20/847819720.db2.gz WEVGPOFVWXLBPH-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110692998 847970174 /nfs/dbraw/zinc/97/01/74/847970174.db2.gz ZUCOMXSCMIJLLR-KBXIAJHMSA-N 2 1 277.412 0.927 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202504169 848002707 /nfs/dbraw/zinc/00/27/07/848002707.db2.gz RAQYWLGSULBSFM-DZGCQCFKSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001115000512 848025887 /nfs/dbraw/zinc/02/58/87/848025887.db2.gz GYAPPADPFITAIC-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@@H+](C)C1CC1 ZINC000884210829 848212473 /nfs/dbraw/zinc/21/24/73/848212473.db2.gz KVTGKFXXHPHJAS-OPXGVBIBSA-N 2 1 290.411 0.725 20 30 CCEDMP C=CCC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001274985834 848608212 /nfs/dbraw/zinc/60/82/12/848608212.db2.gz HLHIUSZCPLYGET-CHWSQXEVSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001275144246 848650260 /nfs/dbraw/zinc/65/02/60/848650260.db2.gz WJNUNALWCKLOIV-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001275144246 848650264 /nfs/dbraw/zinc/65/02/64/848650264.db2.gz WJNUNALWCKLOIV-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001275144246 848650268 /nfs/dbraw/zinc/65/02/68/848650268.db2.gz WJNUNALWCKLOIV-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001275731221 848803284 /nfs/dbraw/zinc/80/32/84/848803284.db2.gz ZXOKWVYXXBXWKK-AWEZNQCLSA-N 2 1 283.416 0.413 20 30 CCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001275731221 848803289 /nfs/dbraw/zinc/80/32/89/848803289.db2.gz ZXOKWVYXXBXWKK-AWEZNQCLSA-N 2 1 283.416 0.413 20 30 CCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001275731221 848803293 /nfs/dbraw/zinc/80/32/93/848803293.db2.gz ZXOKWVYXXBXWKK-AWEZNQCLSA-N 2 1 283.416 0.413 20 30 CCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980917 849037149 /nfs/dbraw/zinc/03/71/49/849037149.db2.gz AQJQDRPOFHLDGG-KFWWJZLASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnc1 ZINC001114652635 849347588 /nfs/dbraw/zinc/34/75/88/849347588.db2.gz QTLYSQPQUCVZNV-NHAGDIPZSA-N 2 1 274.368 0.896 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114794232 849396874 /nfs/dbraw/zinc/39/68/74/849396874.db2.gz DYQAZUFFELFFSX-CBBWQLFWSA-N 2 1 277.412 0.642 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001038271248 849834741 /nfs/dbraw/zinc/83/47/41/849834741.db2.gz CMFWDSRMTSXRRD-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001038271248 849834748 /nfs/dbraw/zinc/83/47/48/849834748.db2.gz CMFWDSRMTSXRRD-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001038271248 849834752 /nfs/dbraw/zinc/83/47/52/849834752.db2.gz CMFWDSRMTSXRRD-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001038271248 849834756 /nfs/dbraw/zinc/83/47/56/849834756.db2.gz CMFWDSRMTSXRRD-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038263997 849835244 /nfs/dbraw/zinc/83/52/44/849835244.db2.gz UFGJHBIIJYPZHL-CABCVRRESA-N 2 1 275.396 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038263997 849835254 /nfs/dbraw/zinc/83/52/54/849835254.db2.gz UFGJHBIIJYPZHL-CABCVRRESA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041828865 850507352 /nfs/dbraw/zinc/50/73/52/850507352.db2.gz JKSKANJXVVXEDH-GOEBONIOSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041828865 850507355 /nfs/dbraw/zinc/50/73/55/850507355.db2.gz JKSKANJXVVXEDH-GOEBONIOSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041828865 850507362 /nfs/dbraw/zinc/50/73/62/850507362.db2.gz JKSKANJXVVXEDH-GOEBONIOSA-N 2 1 275.396 0.496 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043879187 850952910 /nfs/dbraw/zinc/95/29/10/850952910.db2.gz DNSVYHFEJLKOPI-TZMCWYRMSA-N 2 1 265.401 0.903 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043879187 850952915 /nfs/dbraw/zinc/95/29/15/850952915.db2.gz DNSVYHFEJLKOPI-TZMCWYRMSA-N 2 1 265.401 0.903 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046322902 851463722 /nfs/dbraw/zinc/46/37/22/851463722.db2.gz DMEDUUYXJBOUKF-DOTOQJQBSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001047527279 851802557 /nfs/dbraw/zinc/80/25/57/851802557.db2.gz AUBQAFJIJXMQDD-RDBSUJKOSA-N 2 1 281.400 0.160 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001047527279 851802561 /nfs/dbraw/zinc/80/25/61/851802561.db2.gz AUBQAFJIJXMQDD-RDBSUJKOSA-N 2 1 281.400 0.160 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001047527279 851802566 /nfs/dbraw/zinc/80/25/66/851802566.db2.gz AUBQAFJIJXMQDD-RDBSUJKOSA-N 2 1 281.400 0.160 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001047527279 851802574 /nfs/dbraw/zinc/80/25/74/851802574.db2.gz AUBQAFJIJXMQDD-RDBSUJKOSA-N 2 1 281.400 0.160 20 30 CCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001047528619 851804675 /nfs/dbraw/zinc/80/46/75/851804675.db2.gz URNOUOPHOJNMGY-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001047528619 851804679 /nfs/dbraw/zinc/80/46/79/851804679.db2.gz URNOUOPHOJNMGY-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001047528619 851804687 /nfs/dbraw/zinc/80/46/87/851804687.db2.gz URNOUOPHOJNMGY-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553555 851812472 /nfs/dbraw/zinc/81/24/72/851812472.db2.gz KWUMATKGJKVLOM-GJZGRUSLSA-N 2 1 295.427 0.408 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048724250 852032296 /nfs/dbraw/zinc/03/22/96/852032296.db2.gz XGISVBNWVBAFLL-ZNMIVQPWSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048724250 852032310 /nfs/dbraw/zinc/03/23/10/852032310.db2.gz XGISVBNWVBAFLL-ZNMIVQPWSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048724250 852032325 /nfs/dbraw/zinc/03/23/25/852032325.db2.gz XGISVBNWVBAFLL-ZNMIVQPWSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001048870081 852089346 /nfs/dbraw/zinc/08/93/46/852089346.db2.gz OFZMWOBHDKDOQC-ZNMIVQPWSA-N 2 1 293.386 0.444 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC001048870081 852089351 /nfs/dbraw/zinc/08/93/51/852089351.db2.gz OFZMWOBHDKDOQC-ZNMIVQPWSA-N 2 1 293.386 0.444 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCF)C[C@@H]2C1 ZINC001048870081 852089359 /nfs/dbraw/zinc/08/93/59/852089359.db2.gz OFZMWOBHDKDOQC-ZNMIVQPWSA-N 2 1 293.386 0.444 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCF)C[C@@H]2C1 ZINC001048870081 852089366 /nfs/dbraw/zinc/08/93/66/852089366.db2.gz OFZMWOBHDKDOQC-ZNMIVQPWSA-N 2 1 293.386 0.444 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048864343 852090983 /nfs/dbraw/zinc/09/09/83/852090983.db2.gz XFXCMRNUUKGRJA-ZNMIVQPWSA-N 2 1 275.396 0.350 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049060175 852153882 /nfs/dbraw/zinc/15/38/82/852153882.db2.gz OIEICIBRMPTIJG-WCVJEAGWSA-N 2 1 289.423 0.598 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049060175 852153886 /nfs/dbraw/zinc/15/38/86/852153886.db2.gz OIEICIBRMPTIJG-WCVJEAGWSA-N 2 1 289.423 0.598 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049060175 852153893 /nfs/dbraw/zinc/15/38/93/852153893.db2.gz OIEICIBRMPTIJG-WCVJEAGWSA-N 2 1 289.423 0.598 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049173080 852182944 /nfs/dbraw/zinc/18/29/44/852182944.db2.gz HYHWSPTVKRQKAN-OKILXGFUSA-N 2 1 275.396 0.658 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231871 852200744 /nfs/dbraw/zinc/20/07/44/852200744.db2.gz NJGLZGYJVXWLOZ-YHUYYLMFSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001096538272 852295172 /nfs/dbraw/zinc/29/51/72/852295172.db2.gz DEAIBDWAURDKLW-KBXIAJHMSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001096538272 852295183 /nfs/dbraw/zinc/29/51/83/852295183.db2.gz DEAIBDWAURDKLW-KBXIAJHMSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001096538272 852295199 /nfs/dbraw/zinc/29/51/99/852295199.db2.gz DEAIBDWAURDKLW-KBXIAJHMSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001054833458 853020981 /nfs/dbraw/zinc/02/09/81/853020981.db2.gz JQUSXDYKJASRLT-RISCZKNCSA-N 2 1 290.367 0.420 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050460301 853378949 /nfs/dbraw/zinc/37/89/49/853378949.db2.gz UVAJBDWRVVZSLN-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052394426 853746027 /nfs/dbraw/zinc/74/60/27/853746027.db2.gz XNFKJTSHQYMMHM-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052394426 853746032 /nfs/dbraw/zinc/74/60/32/853746032.db2.gz XNFKJTSHQYMMHM-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052394426 853746036 /nfs/dbraw/zinc/74/60/36/853746036.db2.gz XNFKJTSHQYMMHM-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052394423 853746991 /nfs/dbraw/zinc/74/69/91/853746991.db2.gz XNFKJTSHQYMMHM-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052394423 853746995 /nfs/dbraw/zinc/74/69/95/853746995.db2.gz XNFKJTSHQYMMHM-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052394423 853747001 /nfs/dbraw/zinc/74/70/01/853747001.db2.gz XNFKJTSHQYMMHM-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001072981459 854508116 /nfs/dbraw/zinc/50/81/16/854508116.db2.gz IDNRQQRARVXEIA-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001072981459 854508120 /nfs/dbraw/zinc/50/81/20/854508120.db2.gz IDNRQQRARVXEIA-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001072981459 854508123 /nfs/dbraw/zinc/50/81/23/854508123.db2.gz IDNRQQRARVXEIA-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001073125634 854535048 /nfs/dbraw/zinc/53/50/48/854535048.db2.gz CRLOBBAHUFNMJM-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073125634 854535050 /nfs/dbraw/zinc/53/50/50/854535050.db2.gz CRLOBBAHUFNMJM-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073125634 854535052 /nfs/dbraw/zinc/53/50/52/854535052.db2.gz CRLOBBAHUFNMJM-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073753399 854640146 /nfs/dbraw/zinc/64/01/46/854640146.db2.gz WDLXJAVOMKCEPP-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001075123248 854814111 /nfs/dbraw/zinc/81/41/11/854814111.db2.gz BHPQIXAUIVKUIL-MELADBBJSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001075123248 854814115 /nfs/dbraw/zinc/81/41/15/854814115.db2.gz BHPQIXAUIVKUIL-MELADBBJSA-N 2 1 281.400 0.472 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081457 855094874 /nfs/dbraw/zinc/09/48/74/855094874.db2.gz SRUVJSYOFDOFAV-HUUCEWRRSA-N 2 1 295.427 0.293 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132192 855104719 /nfs/dbraw/zinc/10/47/19/855104719.db2.gz POJNWSNNBGQTFD-KGLIPLIRSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132192 855104721 /nfs/dbraw/zinc/10/47/21/855104721.db2.gz POJNWSNNBGQTFD-KGLIPLIRSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132192 855104722 /nfs/dbraw/zinc/10/47/22/855104722.db2.gz POJNWSNNBGQTFD-KGLIPLIRSA-N 2 1 283.416 0.454 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001100447235 855171211 /nfs/dbraw/zinc/17/12/11/855171211.db2.gz UGWRXEZQKRICNL-NRXISQOPSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001100511907 855180467 /nfs/dbraw/zinc/18/04/67/855180467.db2.gz WKGHWWNLIFACFI-UHFFFAOYSA-N 2 1 274.368 0.699 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103718854 855528096 /nfs/dbraw/zinc/52/80/96/855528096.db2.gz HOZLJVAUHQCYIE-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103718854 855528098 /nfs/dbraw/zinc/52/80/98/855528098.db2.gz HOZLJVAUHQCYIE-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103718854 855528100 /nfs/dbraw/zinc/52/81/00/855528100.db2.gz HOZLJVAUHQCYIE-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111855031 855600846 /nfs/dbraw/zinc/60/08/46/855600846.db2.gz ZXDIGDVWKFVIPR-HOCLYGCPSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2CC)C1 ZINC001119304185 856624073 /nfs/dbraw/zinc/62/40/73/856624073.db2.gz IVDSUEGFAGPNKR-KGLIPLIRSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2CC)C1 ZINC001119304185 856624076 /nfs/dbraw/zinc/62/40/76/856624076.db2.gz IVDSUEGFAGPNKR-KGLIPLIRSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2CC)C1 ZINC001119304185 856624084 /nfs/dbraw/zinc/62/40/84/856624084.db2.gz IVDSUEGFAGPNKR-KGLIPLIRSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2CC)C1 ZINC001119304185 856624091 /nfs/dbraw/zinc/62/40/91/856624091.db2.gz IVDSUEGFAGPNKR-KGLIPLIRSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001492816246 912251082 /nfs/dbraw/zinc/25/10/82/912251082.db2.gz DTBWDAJFXBLJTG-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CC#C)CC1 ZINC001324439871 912845245 /nfs/dbraw/zinc/84/52/45/912845245.db2.gz MHSABPZHVNPYKD-UHFFFAOYSA-N 2 1 289.423 0.888 20 30 CCEDMP CC#CC[N@H+](C)CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001266280911 891417556 /nfs/dbraw/zinc/41/75/56/891417556.db2.gz YOLXBKQBWVBONN-ZDUSSCGKSA-N 2 1 271.380 0.738 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCF ZINC001481241060 892418623 /nfs/dbraw/zinc/41/86/23/892418623.db2.gz JWKFGJZTIROQPS-LBPRGKRZSA-N 2 1 255.337 0.102 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCF ZINC001481241060 892418626 /nfs/dbraw/zinc/41/86/26/892418626.db2.gz JWKFGJZTIROQPS-LBPRGKRZSA-N 2 1 255.337 0.102 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC001326045469 913715484 /nfs/dbraw/zinc/71/54/84/913715484.db2.gz COJHFMXLXWETEU-KBPBESRZSA-N 2 1 287.367 0.576 20 30 CCEDMP C#CC[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001284558167 893618943 /nfs/dbraw/zinc/61/89/43/893618943.db2.gz JUBSDUXREZCWIT-AWEZNQCLSA-N 2 1 265.401 0.740 20 30 CCEDMP C#CC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001284558167 893618926 /nfs/dbraw/zinc/61/89/26/893618926.db2.gz JUBSDUXREZCWIT-AWEZNQCLSA-N 2 1 265.401 0.740 20 30 CCEDMP C#CC[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001284558167 893618936 /nfs/dbraw/zinc/61/89/36/893618936.db2.gz JUBSDUXREZCWIT-AWEZNQCLSA-N 2 1 265.401 0.740 20 30 CCEDMP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001482901339 894671125 /nfs/dbraw/zinc/67/11/25/894671125.db2.gz PSOLTKPSSSMGQV-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001482901339 894671133 /nfs/dbraw/zinc/67/11/33/894671133.db2.gz PSOLTKPSSSMGQV-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC ZINC001483019472 894809819 /nfs/dbraw/zinc/80/98/19/894809819.db2.gz KBWLGOLVIKTHBU-GXMNPTEKSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC ZINC001483019472 894809838 /nfs/dbraw/zinc/80/98/38/894809838.db2.gz KBWLGOLVIKTHBU-GXMNPTEKSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483160820 895042170 /nfs/dbraw/zinc/04/21/70/895042170.db2.gz LEHYXVVYDPJGTH-RDBSUJKOSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001326507367 913994139 /nfs/dbraw/zinc/99/41/39/913994139.db2.gz CARPKHHASNMJFI-KKUMJFAQSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001326507367 913994146 /nfs/dbraw/zinc/99/41/46/913994146.db2.gz CARPKHHASNMJFI-KKUMJFAQSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001484236853 896269540 /nfs/dbraw/zinc/26/95/40/896269540.db2.gz SHSMHLYGGPJGED-ZBFHGGJFSA-N 2 1 295.427 0.293 20 30 CCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001484843110 896630149 /nfs/dbraw/zinc/63/01/49/896630149.db2.gz FWINLRODSJMLFZ-HNNXBMFYSA-N 2 1 292.383 0.321 20 30 CCEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001484855816 896634584 /nfs/dbraw/zinc/63/45/84/896634584.db2.gz QKBGJQQCDAGQFP-MRXNPFEDSA-N 2 1 295.427 0.295 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001484903398 896662490 /nfs/dbraw/zinc/66/24/90/896662490.db2.gz AISVPOOIFMQDLU-OLZOCXBDSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485303016 896946071 /nfs/dbraw/zinc/94/60/71/896946071.db2.gz OYGKDEDVULPBGJ-GXTWGEPZSA-N 2 1 265.401 0.951 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001485382464 897008717 /nfs/dbraw/zinc/00/87/17/897008717.db2.gz FLDMFQAIDRMMGT-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485382464 897008729 /nfs/dbraw/zinc/00/87/29/897008729.db2.gz FLDMFQAIDRMMGT-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485382464 897008743 /nfs/dbraw/zinc/00/87/43/897008743.db2.gz FLDMFQAIDRMMGT-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485715879 897199018 /nfs/dbraw/zinc/19/90/18/897199018.db2.gz IPFGVVKRAQSAGV-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485715879 897199023 /nfs/dbraw/zinc/19/90/23/897199023.db2.gz IPFGVVKRAQSAGV-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001032635077 897859800 /nfs/dbraw/zinc/85/98/00/897859800.db2.gz VCFZMZNNUAEHSN-IHRRRGAJSA-N 2 1 263.385 0.635 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001032635077 897859805 /nfs/dbraw/zinc/85/98/05/897859805.db2.gz VCFZMZNNUAEHSN-IHRRRGAJSA-N 2 1 263.385 0.635 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCN1CCOCC1 ZINC001032684267 897929872 /nfs/dbraw/zinc/92/98/72/897929872.db2.gz IMJHIRDBWKDTEG-GJZGRUSLSA-N 2 1 293.411 0.570 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684267 897929883 /nfs/dbraw/zinc/92/98/83/897929883.db2.gz IMJHIRDBWKDTEG-GJZGRUSLSA-N 2 1 293.411 0.570 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001486293679 898761949 /nfs/dbraw/zinc/76/19/49/898761949.db2.gz APHCHKMZRZPIHE-QWHCGFSZSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001486308079 898771759 /nfs/dbraw/zinc/77/17/59/898771759.db2.gz AGXYPRPPVHEXDC-CQSZACIVSA-N 2 1 299.459 0.949 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001486356631 898815835 /nfs/dbraw/zinc/81/58/35/898815835.db2.gz PFOYQGDZUTVHEL-ZIAGYGMSSA-N 2 1 283.416 0.265 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486356631 898815843 /nfs/dbraw/zinc/81/58/43/898815843.db2.gz PFOYQGDZUTVHEL-ZIAGYGMSSA-N 2 1 283.416 0.265 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486356631 898815865 /nfs/dbraw/zinc/81/58/65/898815865.db2.gz PFOYQGDZUTVHEL-ZIAGYGMSSA-N 2 1 283.416 0.265 20 30 CCEDMP C=CC[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001486515375 898918650 /nfs/dbraw/zinc/91/86/50/898918650.db2.gz VZQKWJKWQAMXGZ-UHFFFAOYSA-N 2 1 251.374 0.872 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001327033589 914326266 /nfs/dbraw/zinc/32/62/66/914326266.db2.gz DBXCXLKLMYKPJW-AWEZNQCLSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001327050049 914338616 /nfs/dbraw/zinc/33/86/16/914338616.db2.gz VHYBIVZZFFDWDM-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCN1CC[C@H]1CN(C)C(=O)CC[N@H+](C)CCC ZINC001488683175 900342797 /nfs/dbraw/zinc/34/27/97/900342797.db2.gz AEXOOBVBKKOMBQ-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CCC ZINC001488683175 900342806 /nfs/dbraw/zinc/34/28/06/900342806.db2.gz AEXOOBVBKKOMBQ-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@H+](C)CCC ZINC001488683175 900342817 /nfs/dbraw/zinc/34/28/17/900342817.db2.gz AEXOOBVBKKOMBQ-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001488683175 900342830 /nfs/dbraw/zinc/34/28/30/900342830.db2.gz AEXOOBVBKKOMBQ-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001488683175 900342842 /nfs/dbraw/zinc/34/28/42/900342842.db2.gz AEXOOBVBKKOMBQ-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001490742554 900718186 /nfs/dbraw/zinc/71/81/86/900718186.db2.gz QAVRFNGEAOZAAA-CQSZACIVSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001320531076 900930667 /nfs/dbraw/zinc/93/06/67/900930667.db2.gz XMPVLQZLPXDKQH-RDBSUJKOSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001331531129 903995092 /nfs/dbraw/zinc/99/50/92/903995092.db2.gz PPQAPNWMSHYMAA-RDBSUJKOSA-N 2 1 265.401 0.786 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC001280632176 904131082 /nfs/dbraw/zinc/13/10/82/904131082.db2.gz WGIAHRULPWFRJC-SOUVJXGZSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001280757043 904147186 /nfs/dbraw/zinc/14/71/86/904147186.db2.gz SILSUBYICYBJNR-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001281184434 904239041 /nfs/dbraw/zinc/23/90/41/904239041.db2.gz JXAKBEFEWBHMPG-GDBMZVCRSA-N 2 1 295.427 0.457 20 30 CCEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001281643287 904318771 /nfs/dbraw/zinc/31/87/71/904318771.db2.gz TVFOISHGDXGDRJ-AWEZNQCLSA-N 2 1 295.427 0.457 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001282449334 904479004 /nfs/dbraw/zinc/47/90/04/904479004.db2.gz KAFJLHVOUOUFEQ-CYBMUJFWSA-N 2 1 265.401 0.788 20 30 CCEDMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCC#N)CC[C@@H]21 ZINC001335790074 907074921 /nfs/dbraw/zinc/07/49/21/907074921.db2.gz ZXRFVCSDTRLXRT-UPJWGTAASA-N 2 1 264.373 0.560 20 30 CCEDMP C=CC[NH2+][C@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001492058612 907683702 /nfs/dbraw/zinc/68/37/02/907683702.db2.gz NJXBSUWJAKWFOK-LLVKDONJSA-N 2 1 250.346 0.862 20 30 CCEDMP C#CCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001492257634 907810016 /nfs/dbraw/zinc/81/00/16/907810016.db2.gz RXEOHPPLMVOOLV-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001492221435 907777828 /nfs/dbraw/zinc/77/78/28/907777828.db2.gz VNABGOPGAVMRIN-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492221435 907777841 /nfs/dbraw/zinc/77/78/41/907777841.db2.gz VNABGOPGAVMRIN-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492221435 907777850 /nfs/dbraw/zinc/77/78/50/907777850.db2.gz VNABGOPGAVMRIN-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001492221435 907777862 /nfs/dbraw/zinc/77/78/62/907777862.db2.gz VNABGOPGAVMRIN-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001492221435 907777876 /nfs/dbraw/zinc/77/78/76/907777876.db2.gz VNABGOPGAVMRIN-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001492257634 907809991 /nfs/dbraw/zinc/80/99/91/907809991.db2.gz RXEOHPPLMVOOLV-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001492257634 907810004 /nfs/dbraw/zinc/81/00/04/907810004.db2.gz RXEOHPPLMVOOLV-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001317244767 907995550 /nfs/dbraw/zinc/99/55/50/907995550.db2.gz MEMLTULSDPODNF-STQMWFEESA-N 2 1 251.374 0.588 20 30 CCEDMP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317011118 908916781 /nfs/dbraw/zinc/91/67/81/908916781.db2.gz JFNWEPSNVXQPRA-LSDHHAIUSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317011118 908916782 /nfs/dbraw/zinc/91/67/82/908916782.db2.gz JFNWEPSNVXQPRA-LSDHHAIUSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317529559 909295762 /nfs/dbraw/zinc/29/57/62/909295762.db2.gz YKPGEVJAQVHFSV-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317529559 909295775 /nfs/dbraw/zinc/29/57/75/909295775.db2.gz YKPGEVJAQVHFSV-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317529559 909295783 /nfs/dbraw/zinc/29/57/83/909295783.db2.gz YKPGEVJAQVHFSV-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317808787 909505181 /nfs/dbraw/zinc/50/51/81/909505181.db2.gz HTQBCLCMRYYIMI-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001317819727 909511771 /nfs/dbraw/zinc/51/17/71/909511771.db2.gz FRKIETDFFPXDFX-UHFFFAOYSA-N 2 1 294.443 0.037 20 30 CCEDMP CC#CCN1CC[NH+](CCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001317819727 909511791 /nfs/dbraw/zinc/51/17/91/909511791.db2.gz FRKIETDFFPXDFX-UHFFFAOYSA-N 2 1 294.443 0.037 20 30 CCEDMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#CCOC ZINC001318507443 909786887 /nfs/dbraw/zinc/78/68/87/909786887.db2.gz RAZSWVPKYZJVLK-UONOGXRCSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001318787762 909889397 /nfs/dbraw/zinc/88/93/97/909889397.db2.gz HIAQPHRWDOFHNR-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001318787762 909889406 /nfs/dbraw/zinc/88/94/06/909889406.db2.gz HIAQPHRWDOFHNR-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]CCN(CC)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001320755124 910845697 /nfs/dbraw/zinc/84/56/97/910845697.db2.gz AQYIHOPGWFFLNV-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH2+]CCCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001322581036 911871485 /nfs/dbraw/zinc/87/14/85/911871485.db2.gz MBQOBAGLFHNHRW-UHFFFAOYSA-N 2 1 292.383 0.811 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001322999915 912063732 /nfs/dbraw/zinc/06/37/32/912063732.db2.gz KCKXUYJJYFKCBP-RRFJBIMHSA-N 2 1 277.412 0.834 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001328659855 915340998 /nfs/dbraw/zinc/34/09/98/915340998.db2.gz WONFNXMOQRZZIQ-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001331122835 917105919 /nfs/dbraw/zinc/10/59/19/917105919.db2.gz LXLDMECEKHIEEU-LSDHHAIUSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001331122835 917105932 /nfs/dbraw/zinc/10/59/32/917105932.db2.gz LXLDMECEKHIEEU-LSDHHAIUSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CC[N@H+](C)CCOCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001331122835 917105939 /nfs/dbraw/zinc/10/59/39/917105939.db2.gz LXLDMECEKHIEEU-LSDHHAIUSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)CC[N@H+](C)CCC ZINC001331611511 917449711 /nfs/dbraw/zinc/44/97/11/917449711.db2.gz JCHPDYZCIWIJKV-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001332679474 918374823 /nfs/dbraw/zinc/37/48/23/918374823.db2.gz ZPJHTQACSQQKQZ-CQSZACIVSA-N 2 1 295.427 0.409 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH2+]C(C)(C)C)C1 ZINC001335180572 920001238 /nfs/dbraw/zinc/00/12/38/920001238.db2.gz JBIVBGYSXWZYGG-LBPRGKRZSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH2+]C(C)(C)C)C1 ZINC001335180572 920001252 /nfs/dbraw/zinc/00/12/52/920001252.db2.gz JBIVBGYSXWZYGG-LBPRGKRZSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001492973523 920025841 /nfs/dbraw/zinc/02/58/41/920025841.db2.gz GQYYPZPHKPXLMS-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001492973523 920025859 /nfs/dbraw/zinc/02/58/59/920025859.db2.gz GQYYPZPHKPXLMS-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001492973523 920025875 /nfs/dbraw/zinc/02/58/75/920025875.db2.gz GQYYPZPHKPXLMS-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001336801193 921019685 /nfs/dbraw/zinc/01/96/85/921019685.db2.gz WDUIUPCXAWNQOP-YPMHNXCESA-N 2 1 257.378 0.189 20 30 CCEDMP C#CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC001340107344 921959635 /nfs/dbraw/zinc/95/96/35/921959635.db2.gz XYRMMHAVXRXGGM-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[N@H+]2C)C1 ZINC001345790359 923976032 /nfs/dbraw/zinc/97/60/32/923976032.db2.gz RHULAPILSGSVOM-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+]2C)C1 ZINC001345790359 923976046 /nfs/dbraw/zinc/97/60/46/923976046.db2.gz RHULAPILSGSVOM-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2C)C1 ZINC001345790359 923976061 /nfs/dbraw/zinc/97/60/61/923976061.db2.gz RHULAPILSGSVOM-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2C)C1 ZINC001345790359 923976071 /nfs/dbraw/zinc/97/60/71/923976071.db2.gz RHULAPILSGSVOM-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+]2C)C1 ZINC001345790357 923978497 /nfs/dbraw/zinc/97/84/97/923978497.db2.gz RHULAPILSGSVOM-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001345790357 923978511 /nfs/dbraw/zinc/97/85/11/923978511.db2.gz RHULAPILSGSVOM-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2C)C1 ZINC001345790357 923978522 /nfs/dbraw/zinc/97/85/22/923978522.db2.gz RHULAPILSGSVOM-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2C)C1 ZINC001345790357 923978529 /nfs/dbraw/zinc/97/85/29/923978529.db2.gz RHULAPILSGSVOM-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCCC2)CC1 ZINC001353316061 925792929 /nfs/dbraw/zinc/79/29/29/925792929.db2.gz MBNZVGLDXZQSCW-OAHLLOKOSA-N 2 1 280.412 0.730 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001422579241 927385946 /nfs/dbraw/zinc/38/59/46/927385946.db2.gz BMAZMVSOVNOGPP-GFCCVEGCSA-N 2 1 289.807 0.556 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000600769313 362058909 /nfs/dbraw/zinc/05/89/09/362058909.db2.gz MARVJXWRNUVKLN-GFCCVEGCSA-N 2 1 260.341 0.631 20 30 CCEDMP C[NH+]1CCN(c2ncc(C[NH2+]CCCC#N)cn2)CC1 ZINC000344323093 529778298 /nfs/dbraw/zinc/77/82/98/529778298.db2.gz HSCLQXOFIVGYIR-UHFFFAOYSA-N 2 1 274.372 0.622 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CC=C)CC1 ZINC000296372866 353944636 /nfs/dbraw/zinc/94/46/36/353944636.db2.gz KAPNBGXQLXKYSD-UHFFFAOYSA-N 2 1 292.427 0.891 20 30 CCEDMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1C ZINC000594437834 360307706 /nfs/dbraw/zinc/30/77/06/360307706.db2.gz KZMCVOVKAXODGO-FRRDWIJNSA-N 2 1 266.389 0.997 20 30 CCEDMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441802 360310494 /nfs/dbraw/zinc/31/04/94/360310494.db2.gz XABHJZCQBLQGKI-NEPJUHHUSA-N 2 1 252.362 0.608 20 30 CCEDMP C[NH+](C)CCC[N@H+](C)CCNc1cc(C#N)ncn1 ZINC000596424787 360889974 /nfs/dbraw/zinc/88/99/74/360889974.db2.gz LMQCXAFVDHGORZ-UHFFFAOYSA-N 2 1 262.361 0.066 20 30 CCEDMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(C#N)ncn1 ZINC000596424787 360889978 /nfs/dbraw/zinc/88/99/78/360889978.db2.gz LMQCXAFVDHGORZ-UHFFFAOYSA-N 2 1 262.361 0.066 20 30 CCEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000598729326 361499310 /nfs/dbraw/zinc/49/93/10/361499310.db2.gz IJBOEUBDIQIDCB-KGLIPLIRSA-N 2 1 283.416 0.724 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228472634 389153997 /nfs/dbraw/zinc/15/39/97/389153997.db2.gz ZNEPSNUOLSUNRR-WUHRBBMRSA-N 2 1 251.374 0.736 20 30 CCEDMP C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152437029 389290709 /nfs/dbraw/zinc/29/07/09/389290709.db2.gz REKXIXYQDWBBJF-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP COCCNC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000267469433 389371528 /nfs/dbraw/zinc/37/15/28/389371528.db2.gz XGYQIAIBQWPJJG-UHFFFAOYSA-N 2 1 253.350 0.522 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158927042 389354628 /nfs/dbraw/zinc/35/46/28/389354628.db2.gz ATPMXQQTVCQZFL-BFHYXJOUSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158927042 389354631 /nfs/dbraw/zinc/35/46/31/389354631.db2.gz ATPMXQQTVCQZFL-BFHYXJOUSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158927042 389354632 /nfs/dbraw/zinc/35/46/32/389354632.db2.gz ATPMXQQTVCQZFL-BFHYXJOUSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158927042 389354634 /nfs/dbraw/zinc/35/46/34/389354634.db2.gz ATPMXQQTVCQZFL-BFHYXJOUSA-N 2 1 263.385 0.540 20 30 CCEDMP C=C[C@@H](CO)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425895706 389659985 /nfs/dbraw/zinc/65/99/85/389659985.db2.gz KHGGNYCTPZUXPW-NSHDSACASA-N 2 1 251.330 0.778 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329789 389984337 /nfs/dbraw/zinc/98/43/37/389984337.db2.gz HKFQDTSFJOBHMT-UPJWGTAASA-N 2 1 294.399 0.318 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1=O ZINC000420345910 389987194 /nfs/dbraw/zinc/98/71/94/389987194.db2.gz VXXWYZKUFNJTNG-MJBXVCDLSA-N 2 1 263.385 0.705 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420393132 389996203 /nfs/dbraw/zinc/99/62/03/389996203.db2.gz JNOFMNOFBDENIR-STQMWFEESA-N 2 1 251.374 0.753 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420393132 389996204 /nfs/dbraw/zinc/99/62/04/389996204.db2.gz JNOFMNOFBDENIR-STQMWFEESA-N 2 1 251.374 0.753 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361101 412039053 /nfs/dbraw/zinc/03/90/53/412039053.db2.gz YKGIBQLMGCBCCF-BFHYXJOUSA-N 2 1 281.400 0.649 20 30 CCEDMP C=CC[C@@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CCC[NH2+]1 ZINC000662906367 414885257 /nfs/dbraw/zinc/88/52/57/414885257.db2.gz IYAQAVZOVJKUHJ-ZBFHGGJFSA-N 2 1 292.427 0.191 20 30 CCEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)[NH+](C)C)c1C#N ZINC000602776756 420493188 /nfs/dbraw/zinc/49/31/88/420493188.db2.gz SHUGYSCJQWXJGV-VIFPVBQESA-N 2 1 278.360 0.322 20 30 CCEDMP C[NH+]=C(NCc1c(C)noc1C)NC[C@H]1CC[N@@H+](C)C1 ZINC000157255242 261143144 /nfs/dbraw/zinc/14/31/44/261143144.db2.gz SYGBNQPVTHDIKH-GFCCVEGCSA-N 2 1 279.388 0.908 20 30 CCEDMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC(C#N)CC2)CC1 ZINC000057907867 262350568 /nfs/dbraw/zinc/35/05/68/262350568.db2.gz WASOVEAAIURFKW-ZDUSSCGKSA-N 2 1 278.400 0.775 20 30 CCEDMP C[C@H]1C[NH+]=C(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)N1 ZINC000285025639 263089323 /nfs/dbraw/zinc/08/93/23/263089323.db2.gz JKHDAKADJJXRQD-WFASDCNBSA-N 2 1 288.395 0.343 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000376744468 268013057 /nfs/dbraw/zinc/01/30/57/268013057.db2.gz UEZQPBJDKYPLGG-OAHLLOKOSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000376744468 268013060 /nfs/dbraw/zinc/01/30/60/268013060.db2.gz UEZQPBJDKYPLGG-OAHLLOKOSA-N 2 1 295.427 0.862 20 30 CCEDMP C[NH+]=C(NCc1ccnn1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261943724 328143400 /nfs/dbraw/zinc/14/34/00/328143400.db2.gz FDIMQQAGLQPAQC-SMDDNHRTSA-N 2 1 290.415 0.568 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)cn1 ZINC000278390579 328225087 /nfs/dbraw/zinc/22/50/87/328225087.db2.gz ZWQIVWURBXVCPR-CYBMUJFWSA-N 2 1 291.399 0.979 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@H](COC)C1 ZINC000262431042 330010273 /nfs/dbraw/zinc/01/02/73/330010273.db2.gz FACJUZHCOFNSHM-ZDUSSCGKSA-N 2 1 279.388 0.735 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262469254 330015387 /nfs/dbraw/zinc/01/53/87/330015387.db2.gz OKCGBZGLYVTSJU-ZIAGYGMSSA-N 2 1 298.431 0.379 20 30 CCEDMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424144216 330289660 /nfs/dbraw/zinc/28/96/60/330289660.db2.gz KTUYQPPERNXOQG-AGIUHOORSA-N 2 1 264.373 0.703 20 30 CCEDMP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1CCOC ZINC000424145373 330290381 /nfs/dbraw/zinc/29/03/81/330290381.db2.gz NKZPFKDCLHJNBA-KGLIPLIRSA-N 2 1 296.415 0.577 20 30 CCEDMP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1CCOC ZINC000424145373 330290382 /nfs/dbraw/zinc/29/03/82/330290382.db2.gz NKZPFKDCLHJNBA-KGLIPLIRSA-N 2 1 296.415 0.577 20 30 CCEDMP C#CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000080565255 330365070 /nfs/dbraw/zinc/36/50/70/330365070.db2.gz UEHIPLNEFRAETC-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C[C@@H]1[C@H](O)CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000451451133 331030060 /nfs/dbraw/zinc/03/00/60/331030060.db2.gz FDXYINNKWXOSMO-KLHDSHLOSA-N 2 1 280.412 0.680 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000490761059 332113311 /nfs/dbraw/zinc/11/33/11/332113311.db2.gz RGEVQHDNBVTWDZ-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)CCCNC(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC000491683242 332285707 /nfs/dbraw/zinc/28/57/07/332285707.db2.gz XHDZQFAMYOPDHS-AWEZNQCLSA-N 2 1 296.484 0.890 20 30 CCEDMP C#CCNC(=O)[C@H](C)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000174952849 333011429 /nfs/dbraw/zinc/01/14/29/333011429.db2.gz BRORUQYJYXMNSZ-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000576696543 335235760 /nfs/dbraw/zinc/23/57/60/335235760.db2.gz KHSPCSLAWVDLLO-HNNXBMFYSA-N 2 1 280.416 0.409 20 30 CCEDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000577055531 335292036 /nfs/dbraw/zinc/29/20/36/335292036.db2.gz RCJFDVAAZAIDDI-HUUCEWRRSA-N 2 1 282.432 0.514 20 30 CCEDMP C=C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000335927787 526903062 /nfs/dbraw/zinc/90/30/62/526903062.db2.gz QJGWLTVERJUAOZ-UHFFFAOYSA-N 2 1 251.374 0.803 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000754227406 581581118 /nfs/dbraw/zinc/58/11/18/581581118.db2.gz WZLSNFQFNVSJFF-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](CC)CC1 ZINC000732095303 581802485 /nfs/dbraw/zinc/80/24/85/581802485.db2.gz DBLPUPWMSJWZGM-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000895057247 613073420 /nfs/dbraw/zinc/07/34/20/613073420.db2.gz TXKADYRIRIECEB-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000895057247 613073422 /nfs/dbraw/zinc/07/34/22/613073422.db2.gz TXKADYRIRIECEB-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000895057247 613073424 /nfs/dbraw/zinc/07/34/24/613073424.db2.gz TXKADYRIRIECEB-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000876739019 613390234 /nfs/dbraw/zinc/39/02/34/613390234.db2.gz BKSHDFQTCDTICF-MNOVXSKESA-N 2 1 259.781 0.914 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000968966832 612960465 /nfs/dbraw/zinc/96/04/65/612960465.db2.gz DUDRLKDBEUFYKA-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+](CCOC)CC(=O)NC1CC[NH+](C)CC1 ZINC000878997856 612988923 /nfs/dbraw/zinc/98/89/23/612988923.db2.gz IBUZMBKKWOUKNB-UHFFFAOYSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[N@H+](CCOC)CC(=O)NC1CC[NH+](C)CC1 ZINC000878997856 612988924 /nfs/dbraw/zinc/98/89/24/612988924.db2.gz IBUZMBKKWOUKNB-UHFFFAOYSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCOCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872205771 612989704 /nfs/dbraw/zinc/98/97/04/612989704.db2.gz IEHPHIMZKSEMDW-QGZVFWFLSA-N 2 1 288.391 0.863 20 30 CCEDMP C#CCOCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872205771 612989706 /nfs/dbraw/zinc/98/97/06/612989706.db2.gz IEHPHIMZKSEMDW-QGZVFWFLSA-N 2 1 288.391 0.863 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944168207 613025571 /nfs/dbraw/zinc/02/55/71/613025571.db2.gz HPHBHBQYADKWGV-CABCVRRESA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[C@@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000895490813 613030058 /nfs/dbraw/zinc/03/00/58/613030058.db2.gz SXXOYKLOFCAUDG-GJZGRUSLSA-N 2 1 266.385 0.604 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000961955277 613042837 /nfs/dbraw/zinc/04/28/37/613042837.db2.gz ILFAMSFHVHBQPY-QLPKVWCKSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@H+](C)CCCNc1nc(N2CCOCC2)cc[nH+]1 ZINC000814929290 613079375 /nfs/dbraw/zinc/07/93/75/613079375.db2.gz HTPZFEXDYIYFRC-UHFFFAOYSA-N 2 1 289.383 0.680 20 30 CCEDMP C#CC[N@@H+](C)CCCNc1nc(N2CCOCC2)cc[nH+]1 ZINC000814929290 613079377 /nfs/dbraw/zinc/07/93/77/613079377.db2.gz HTPZFEXDYIYFRC-UHFFFAOYSA-N 2 1 289.383 0.680 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000972171171 613093000 /nfs/dbraw/zinc/09/30/00/613093000.db2.gz GPTRQKJBTAJKGX-LSDHHAIUSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000972171171 613093002 /nfs/dbraw/zinc/09/30/02/613093002.db2.gz GPTRQKJBTAJKGX-LSDHHAIUSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972171171 613093004 /nfs/dbraw/zinc/09/30/04/613093004.db2.gz GPTRQKJBTAJKGX-LSDHHAIUSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972171171 613093006 /nfs/dbraw/zinc/09/30/06/613093006.db2.gz GPTRQKJBTAJKGX-LSDHHAIUSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981195002 613153928 /nfs/dbraw/zinc/15/39/28/613153928.db2.gz YRBHSCUUMAPSDV-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981195002 613153929 /nfs/dbraw/zinc/15/39/29/613153929.db2.gz YRBHSCUUMAPSDV-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981195002 613153931 /nfs/dbraw/zinc/15/39/31/613153931.db2.gz YRBHSCUUMAPSDV-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981195002 613153933 /nfs/dbraw/zinc/15/39/33/613153933.db2.gz YRBHSCUUMAPSDV-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000981210651 613154712 /nfs/dbraw/zinc/15/47/12/613154712.db2.gz SWBZRXICMZFVLW-GJZGRUSLSA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000981210651 613154714 /nfs/dbraw/zinc/15/47/14/613154714.db2.gz SWBZRXICMZFVLW-GJZGRUSLSA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981210651 613154716 /nfs/dbraw/zinc/15/47/16/613154716.db2.gz SWBZRXICMZFVLW-GJZGRUSLSA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981210651 613154718 /nfs/dbraw/zinc/15/47/18/613154718.db2.gz SWBZRXICMZFVLW-GJZGRUSLSA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000884202765 613170430 /nfs/dbraw/zinc/17/04/30/613170430.db2.gz HQVLHEXDMDXIEF-UONOGXRCSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000884202765 613170431 /nfs/dbraw/zinc/17/04/31/613170431.db2.gz HQVLHEXDMDXIEF-UONOGXRCSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000923575333 613181569 /nfs/dbraw/zinc/18/15/69/613181569.db2.gz NHEPFFDTPMGJOB-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000923575333 613181571 /nfs/dbraw/zinc/18/15/71/613181571.db2.gz NHEPFFDTPMGJOB-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000816951219 613196934 /nfs/dbraw/zinc/19/69/34/613196934.db2.gz KKGOLGIKTWQXAZ-RDBSUJKOSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000816951219 613196937 /nfs/dbraw/zinc/19/69/37/613196937.db2.gz KKGOLGIKTWQXAZ-RDBSUJKOSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000816951219 613196939 /nfs/dbraw/zinc/19/69/39/613196939.db2.gz KKGOLGIKTWQXAZ-RDBSUJKOSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000816951219 613196941 /nfs/dbraw/zinc/19/69/41/613196941.db2.gz KKGOLGIKTWQXAZ-RDBSUJKOSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](C(C)C)C1 ZINC000969865194 613200355 /nfs/dbraw/zinc/20/03/55/613200355.db2.gz LUXOQHBEHSKEBS-ZFWWWQNUSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](C(C)C)C1 ZINC000969865194 613200357 /nfs/dbraw/zinc/20/03/57/613200357.db2.gz LUXOQHBEHSKEBS-ZFWWWQNUSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC=C)C1 ZINC000969870598 613200742 /nfs/dbraw/zinc/20/07/42/613200742.db2.gz ZFOJSFINTRQTEC-ZFWWWQNUSA-N 2 1 275.396 0.707 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC=C)C1 ZINC000969870598 613200744 /nfs/dbraw/zinc/20/07/44/613200744.db2.gz ZFOJSFINTRQTEC-ZFWWWQNUSA-N 2 1 275.396 0.707 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC1 ZINC000849034445 613219809 /nfs/dbraw/zinc/21/98/09/613219809.db2.gz VTJWKWAMBVRDSN-LBPRGKRZSA-N 2 1 254.378 0.161 20 30 CCEDMP C=C(C)CC[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000951754925 613257943 /nfs/dbraw/zinc/25/79/43/613257943.db2.gz YSIITEWSJDLPFA-UHFFFAOYSA-N 2 1 295.427 0.819 20 30 CCEDMP C=C(C)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849036321 613281476 /nfs/dbraw/zinc/28/14/76/613281476.db2.gz OFJRAVHEVKDXNG-UHFFFAOYSA-N 2 1 254.378 0.789 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970759145 613349018 /nfs/dbraw/zinc/34/90/18/613349018.db2.gz IPQPQXIEWXIMGN-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970759145 613349019 /nfs/dbraw/zinc/34/90/19/613349019.db2.gz IPQPQXIEWXIMGN-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000900691827 613364900 /nfs/dbraw/zinc/36/49/00/613364900.db2.gz BJKLREXBDFUGLM-CQSZACIVSA-N 2 1 296.459 0.494 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC000958377190 613382827 /nfs/dbraw/zinc/38/28/27/613382827.db2.gz AZIHHHRXKRLLKF-QNWHQSFQSA-N 2 1 283.803 0.880 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000958377190 613382828 /nfs/dbraw/zinc/38/28/28/613382828.db2.gz AZIHHHRXKRLLKF-QNWHQSFQSA-N 2 1 283.803 0.880 20 30 CCEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958377190 613382829 /nfs/dbraw/zinc/38/28/29/613382829.db2.gz AZIHHHRXKRLLKF-QNWHQSFQSA-N 2 1 283.803 0.880 20 30 CCEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958377190 613382830 /nfs/dbraw/zinc/38/28/30/613382830.db2.gz AZIHHHRXKRLLKF-QNWHQSFQSA-N 2 1 283.803 0.880 20 30 CCEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413786 613586494 /nfs/dbraw/zinc/58/64/94/613586494.db2.gz HCKWFAHNALRJOX-SYQHCUMBSA-N 2 1 295.383 0.180 20 30 CCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923429597 613591306 /nfs/dbraw/zinc/59/13/06/613591306.db2.gz YTZMZQSFAGBICE-XFMPKHEZSA-N 2 1 282.384 0.526 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971205347 613614511 /nfs/dbraw/zinc/61/45/11/613614511.db2.gz USZXBVHZHQEWIR-OLZOCXBDSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000971205347 613614514 /nfs/dbraw/zinc/61/45/14/613614514.db2.gz USZXBVHZHQEWIR-OLZOCXBDSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000971205347 613614515 /nfs/dbraw/zinc/61/45/15/613614515.db2.gz USZXBVHZHQEWIR-OLZOCXBDSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000978368323 613834575 /nfs/dbraw/zinc/83/45/75/613834575.db2.gz NKXPLYJKRXPNAS-XQLPTFJDSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978368323 613834577 /nfs/dbraw/zinc/83/45/77/613834577.db2.gz NKXPLYJKRXPNAS-XQLPTFJDSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978368323 613834579 /nfs/dbraw/zinc/83/45/79/613834579.db2.gz NKXPLYJKRXPNAS-XQLPTFJDSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000978368312 613835029 /nfs/dbraw/zinc/83/50/29/613835029.db2.gz NKXPLYJKRXPNAS-APIJFGDWSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978368312 613835030 /nfs/dbraw/zinc/83/50/30/613835030.db2.gz NKXPLYJKRXPNAS-APIJFGDWSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961660984 613837933 /nfs/dbraw/zinc/83/79/33/613837933.db2.gz ZBWISAGHAURONM-WDNDVIMCSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959921101 613839156 /nfs/dbraw/zinc/83/91/56/613839156.db2.gz LXRAWWAKWNTWMG-KBXIAJHMSA-N 2 1 275.396 0.561 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000969948824 613863599 /nfs/dbraw/zinc/86/35/99/613863599.db2.gz LHGDASQYEKTBFS-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969099038 613865234 /nfs/dbraw/zinc/86/52/34/613865234.db2.gz KIMXLVPXZNJAHB-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801458 614326849 /nfs/dbraw/zinc/32/68/49/614326849.db2.gz CWWRLEBIDVVOPD-MNOVXSKESA-N 2 1 261.329 0.234 20 30 CCEDMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852869647 614880123 /nfs/dbraw/zinc/88/01/23/614880123.db2.gz JGROWBDEMSAHKO-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000913523652 615859979 /nfs/dbraw/zinc/85/99/79/615859979.db2.gz HLWLOIYDCKKITO-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579333 616067412 /nfs/dbraw/zinc/06/74/12/616067412.db2.gz ZGUJUJBWNZICMY-KGLIPLIRSA-N 2 1 278.400 0.775 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579333 616067413 /nfs/dbraw/zinc/06/74/13/616067413.db2.gz ZGUJUJBWNZICMY-KGLIPLIRSA-N 2 1 278.400 0.775 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579333 616067414 /nfs/dbraw/zinc/06/74/14/616067414.db2.gz ZGUJUJBWNZICMY-KGLIPLIRSA-N 2 1 278.400 0.775 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579333 616067415 /nfs/dbraw/zinc/06/74/15/616067415.db2.gz ZGUJUJBWNZICMY-KGLIPLIRSA-N 2 1 278.400 0.775 20 30 CCEDMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC[NH2+]CC1 ZINC000877452243 616215566 /nfs/dbraw/zinc/21/55/66/616215566.db2.gz VDPLSBRYNBSSLD-GJZGRUSLSA-N 2 1 275.396 0.685 20 30 CCEDMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[C@@H]21 ZINC000870981003 616326088 /nfs/dbraw/zinc/32/60/88/616326088.db2.gz FDOLUKZCMPRSAC-MCIONIFRSA-N 2 1 278.400 0.950 20 30 CCEDMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876727103 616398301 /nfs/dbraw/zinc/39/83/01/616398301.db2.gz FCNOMBRWPPFEOI-CJNGLKHVSA-N 2 1 298.390 0.813 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022716816 622693750 /nfs/dbraw/zinc/69/37/50/622693750.db2.gz JCGNXJUOXORPKJ-FQUUOJAGSA-N 2 1 265.401 0.997 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023109687 622912431 /nfs/dbraw/zinc/91/24/31/622912431.db2.gz GJYBKGWDUKPTGR-MJBXVCDLSA-N 2 1 281.400 0.520 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023109687 622912437 /nfs/dbraw/zinc/91/24/37/622912437.db2.gz GJYBKGWDUKPTGR-MJBXVCDLSA-N 2 1 281.400 0.520 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001023291112 622983295 /nfs/dbraw/zinc/98/32/95/622983295.db2.gz FASCOFXYHCZUDR-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023291112 622983303 /nfs/dbraw/zinc/98/33/03/622983303.db2.gz FASCOFXYHCZUDR-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023291112 622983311 /nfs/dbraw/zinc/98/33/11/622983311.db2.gz FASCOFXYHCZUDR-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023291112 622983320 /nfs/dbraw/zinc/98/33/20/622983320.db2.gz FASCOFXYHCZUDR-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023291112 622983330 /nfs/dbraw/zinc/98/33/30/622983330.db2.gz FASCOFXYHCZUDR-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024441268 623325076 /nfs/dbraw/zinc/32/50/76/623325076.db2.gz CHMAPWRTLCZVQX-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001006920326 623493859 /nfs/dbraw/zinc/49/38/59/623493859.db2.gz YCLYJOLLZGHXIY-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001006920326 623493863 /nfs/dbraw/zinc/49/38/63/623493863.db2.gz YCLYJOLLZGHXIY-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001006920326 623493865 /nfs/dbraw/zinc/49/38/65/623493865.db2.gz YCLYJOLLZGHXIY-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020589976 624544526 /nfs/dbraw/zinc/54/45/26/624544526.db2.gz JCGNXJUOXORPKJ-SYQHCUMBSA-N 2 1 265.401 0.997 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001021079203 624657754 /nfs/dbraw/zinc/65/77/54/624657754.db2.gz WABWPEPHEIOKBP-JHJVBQTASA-N 2 1 267.373 0.130 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001021079203 624657750 /nfs/dbraw/zinc/65/77/50/624657750.db2.gz WABWPEPHEIOKBP-JHJVBQTASA-N 2 1 267.373 0.130 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001021927605 624852722 /nfs/dbraw/zinc/85/27/22/624852722.db2.gz HJLNHTHACSUSRD-XQQFMLRXSA-N 2 1 267.373 0.130 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001021927605 624852726 /nfs/dbraw/zinc/85/27/26/624852726.db2.gz HJLNHTHACSUSRD-XQQFMLRXSA-N 2 1 267.373 0.130 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001022221731 624894240 /nfs/dbraw/zinc/89/42/40/624894240.db2.gz MQFVTFPWQUJBRS-MJBXVCDLSA-N 2 1 263.385 0.729 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001022221731 624894241 /nfs/dbraw/zinc/89/42/41/624894241.db2.gz MQFVTFPWQUJBRS-MJBXVCDLSA-N 2 1 263.385 0.729 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001027465278 625896951 /nfs/dbraw/zinc/89/69/51/625896951.db2.gz UFEDDMAOOSJBHO-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001027465278 625896953 /nfs/dbraw/zinc/89/69/53/625896953.db2.gz UFEDDMAOOSJBHO-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465278 625896955 /nfs/dbraw/zinc/89/69/55/625896955.db2.gz UFEDDMAOOSJBHO-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465278 625896957 /nfs/dbraw/zinc/89/69/57/625896957.db2.gz UFEDDMAOOSJBHO-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001027804804 630933565 /nfs/dbraw/zinc/93/35/65/630933565.db2.gz IGCUIUIBMTYLQL-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027804804 630933567 /nfs/dbraw/zinc/93/35/67/630933567.db2.gz IGCUIUIBMTYLQL-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027804804 630933570 /nfs/dbraw/zinc/93/35/70/630933570.db2.gz IGCUIUIBMTYLQL-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027804804 630933573 /nfs/dbraw/zinc/93/35/73/630933573.db2.gz IGCUIUIBMTYLQL-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nc(C)no1 ZINC000303989823 632505068 /nfs/dbraw/zinc/50/50/68/632505068.db2.gz XXQULIYOCOQCTF-NSHDSACASA-N 2 1 280.376 0.309 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)Cc2cncn2C)CC1 ZINC000985751077 632635190 /nfs/dbraw/zinc/63/51/90/632635190.db2.gz KHEKIZKVUYSUMF-UHFFFAOYSA-N 2 1 274.368 0.519 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000987534977 632878796 /nfs/dbraw/zinc/87/87/96/632878796.db2.gz XAZUIHDJGXQPBE-AAEUAGOBSA-N 2 1 262.357 0.957 20 30 CCEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C)CCO3)CCC[C@H]12 ZINC000990120916 633448817 /nfs/dbraw/zinc/44/88/17/633448817.db2.gz KXOTZLFQKCSEON-OFQRWUPVSA-N 2 1 293.411 0.616 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001008523506 650118520 /nfs/dbraw/zinc/11/85/20/650118520.db2.gz ULNIIDMCCUAINO-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001008523506 650118521 /nfs/dbraw/zinc/11/85/21/650118521.db2.gz ULNIIDMCCUAINO-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008523506 650118522 /nfs/dbraw/zinc/11/85/22/650118522.db2.gz ULNIIDMCCUAINO-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008523506 650118523 /nfs/dbraw/zinc/11/85/23/650118523.db2.gz ULNIIDMCCUAINO-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008544107 650119337 /nfs/dbraw/zinc/11/93/37/650119337.db2.gz YIZLUNRPKDJDCS-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008544107 650119340 /nfs/dbraw/zinc/11/93/40/650119340.db2.gz YIZLUNRPKDJDCS-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001008544107 650119343 /nfs/dbraw/zinc/11/93/43/650119343.db2.gz YIZLUNRPKDJDCS-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008544107 650119357 /nfs/dbraw/zinc/11/93/57/650119357.db2.gz YIZLUNRPKDJDCS-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC#CC[NH+](C)C)CC2 ZINC000913522357 636835827 /nfs/dbraw/zinc/83/58/27/636835827.db2.gz FYROEXLIUYXSOQ-ZDUSSCGKSA-N 2 1 274.368 0.435 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC000992497242 637455387 /nfs/dbraw/zinc/45/53/87/637455387.db2.gz ZIAWFJKENXBJHB-ZBFHGGJFSA-N 2 1 275.396 0.829 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC000992497242 637455389 /nfs/dbraw/zinc/45/53/89/637455389.db2.gz ZIAWFJKENXBJHB-ZBFHGGJFSA-N 2 1 275.396 0.829 20 30 CCEDMP C[NH+]=C(NCCc1nc(C)no1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083094166 638791271 /nfs/dbraw/zinc/79/12/71/638791271.db2.gz KPLXYOUBOYIQOX-LLVKDONJSA-N 2 1 292.387 0.322 20 30 CCEDMP C[NH+]=C(NCCc1nc(C)no1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083094166 638791272 /nfs/dbraw/zinc/79/12/72/638791272.db2.gz KPLXYOUBOYIQOX-LLVKDONJSA-N 2 1 292.387 0.322 20 30 CCEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996976252 638846954 /nfs/dbraw/zinc/84/69/54/638846954.db2.gz BWYSBNOEFMGGJI-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000996998174 638848026 /nfs/dbraw/zinc/84/80/26/638848026.db2.gz IFUKFIASGABFPV-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000996998174 638848028 /nfs/dbraw/zinc/84/80/28/638848028.db2.gz IFUKFIASGABFPV-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998725086 638936884 /nfs/dbraw/zinc/93/68/84/638936884.db2.gz VKTWZLOSNZKCED-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998813692 638943576 /nfs/dbraw/zinc/94/35/76/638943576.db2.gz XKUFGKREXCMZIO-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998813692 638943578 /nfs/dbraw/zinc/94/35/78/638943578.db2.gz XKUFGKREXCMZIO-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001001537680 639314548 /nfs/dbraw/zinc/31/45/48/639314548.db2.gz AQQXDFGTXZVCCD-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015060861 650522140 /nfs/dbraw/zinc/52/21/40/650522140.db2.gz UECRYPZJOLZQEK-HUUCEWRRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001015060861 650522144 /nfs/dbraw/zinc/52/21/44/650522144.db2.gz UECRYPZJOLZQEK-HUUCEWRRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060861 650522146 /nfs/dbraw/zinc/52/21/46/650522146.db2.gz UECRYPZJOLZQEK-HUUCEWRRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060861 650522149 /nfs/dbraw/zinc/52/21/49/650522149.db2.gz UECRYPZJOLZQEK-HUUCEWRRSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796353 650630541 /nfs/dbraw/zinc/63/05/41/650630541.db2.gz KZHFKMQZCDCALZ-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001016302257 650712735 /nfs/dbraw/zinc/71/27/35/650712735.db2.gz KIKDWKIUTCWADD-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001016302257 650712737 /nfs/dbraw/zinc/71/27/37/650712737.db2.gz KIKDWKIUTCWADD-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016302257 650712738 /nfs/dbraw/zinc/71/27/38/650712738.db2.gz KIKDWKIUTCWADD-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016302257 650712740 /nfs/dbraw/zinc/71/27/40/650712740.db2.gz KIKDWKIUTCWADD-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001019043856 650933608 /nfs/dbraw/zinc/93/36/08/650933608.db2.gz KIMXLVPXZNJAHB-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020145578 651043975 /nfs/dbraw/zinc/04/39/75/651043975.db2.gz NTRRBVBJJWNZGI-MGPQQGTHSA-N 2 1 263.385 0.729 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001020174013 651045647 /nfs/dbraw/zinc/04/56/47/651045647.db2.gz QEWJXJYUGCFZHG-XDQVBPFNSA-N 2 1 263.385 0.587 20 30 CCEDMP Cc1nc(C#N)cc(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000882602672 647422610 /nfs/dbraw/zinc/42/26/10/647422610.db2.gz YKQUSEMBXCPITO-UHFFFAOYSA-N 2 1 276.388 0.952 20 30 CCEDMP Cc1nc(C#N)cc(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000882602672 647422614 /nfs/dbraw/zinc/42/26/14/647422614.db2.gz YKQUSEMBXCPITO-UHFFFAOYSA-N 2 1 276.388 0.952 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000104174622 648204689 /nfs/dbraw/zinc/20/46/89/648204689.db2.gz TYRBIYXYHOZQTI-ZDUSSCGKSA-N 2 1 267.421 0.350 20 30 CCEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000249880183 649753599 /nfs/dbraw/zinc/75/35/99/649753599.db2.gz NGACMPMYRZBVDV-QWHCGFSZSA-N 2 1 268.405 0.802 20 30 CCEDMP C[NH+]=C(NC[C@H](C)CN1CC[NH+](C)CC1)NC1CC1 ZINC000303390524 649818148 /nfs/dbraw/zinc/81/81/48/649818148.db2.gz DGLIUVAVVSHWIU-LBPRGKRZSA-N 2 1 267.421 0.197 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303701027 649823898 /nfs/dbraw/zinc/82/38/98/649823898.db2.gz HWZRPTHQCOLOBD-OKILXGFUSA-N 3 1 281.448 0.859 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303701027 649823899 /nfs/dbraw/zinc/82/38/99/649823899.db2.gz HWZRPTHQCOLOBD-OKILXGFUSA-N 3 1 281.448 0.859 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303701027 649823900 /nfs/dbraw/zinc/82/39/00/649823900.db2.gz HWZRPTHQCOLOBD-OKILXGFUSA-N 3 1 281.448 0.859 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](CC)C1 ZINC000303898044 649826599 /nfs/dbraw/zinc/82/65/99/649826599.db2.gz QZISZITWZNQRRZ-KGLIPLIRSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)C1 ZINC000303898044 649826600 /nfs/dbraw/zinc/82/66/00/649826600.db2.gz QZISZITWZNQRRZ-KGLIPLIRSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)C1 ZINC000303898044 649826601 /nfs/dbraw/zinc/82/66/01/649826601.db2.gz QZISZITWZNQRRZ-KGLIPLIRSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCO[C@@H]1CCOC1 ZINC000305015472 649840600 /nfs/dbraw/zinc/84/06/00/649840600.db2.gz LUNZYHYXKXCEOP-ZIAGYGMSSA-N 2 1 298.431 0.571 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138118 805583427 /nfs/dbraw/zinc/58/34/27/805583427.db2.gz GONFAIYCDCEMHV-RRFJBIMHSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262967 805590258 /nfs/dbraw/zinc/59/02/58/805590258.db2.gz ZLRVRBHZPRLGJO-CQSZACIVSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001266326349 790513117 /nfs/dbraw/zinc/51/31/17/790513117.db2.gz AFXYASNABYXGLF-UHFFFAOYSA-N 2 1 253.390 0.646 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001266523315 790865537 /nfs/dbraw/zinc/86/55/37/790865537.db2.gz LGPDXDWIMVZJRK-CYBMUJFWSA-N 2 1 260.341 0.263 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001266523315 790865555 /nfs/dbraw/zinc/86/55/55/790865555.db2.gz LGPDXDWIMVZJRK-CYBMUJFWSA-N 2 1 260.341 0.263 20 30 CCEDMP C=CC[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001266533692 790885420 /nfs/dbraw/zinc/88/54/20/790885420.db2.gz OHDWLAFOYOEGKT-ZIAGYGMSSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001266533692 790885429 /nfs/dbraw/zinc/88/54/29/790885429.db2.gz OHDWLAFOYOEGKT-ZIAGYGMSSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001266533692 790885448 /nfs/dbraw/zinc/88/54/48/790885448.db2.gz OHDWLAFOYOEGKT-ZIAGYGMSSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266545240 790907770 /nfs/dbraw/zinc/90/77/70/790907770.db2.gz NYKUZANEXMLKRQ-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](C)CCC1CC1 ZINC001267200214 791663940 /nfs/dbraw/zinc/66/39/40/791663940.db2.gz HNGWFGPMEYKZIJ-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC1CC1 ZINC001267200214 791663947 /nfs/dbraw/zinc/66/39/47/791663947.db2.gz HNGWFGPMEYKZIJ-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCC1CC1 ZINC001267200214 791663952 /nfs/dbraw/zinc/66/39/52/791663952.db2.gz HNGWFGPMEYKZIJ-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC1CC1 ZINC001267200214 791663960 /nfs/dbraw/zinc/66/39/60/791663960.db2.gz HNGWFGPMEYKZIJ-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC1CC1 ZINC001267200214 791663967 /nfs/dbraw/zinc/66/39/67/791663967.db2.gz HNGWFGPMEYKZIJ-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)CC[NH+]1CCCCC1 ZINC001267257189 793254008 /nfs/dbraw/zinc/25/40/08/793254008.db2.gz QRAZVROMEYWEBW-UHFFFAOYSA-N 2 1 265.401 0.934 20 30 CCEDMP N#Cc1cccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)n1 ZINC001234989737 806334692 /nfs/dbraw/zinc/33/46/92/806334692.db2.gz LRXPCHBQFHDAGX-CQSZACIVSA-N 2 1 257.341 0.091 20 30 CCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150625083 800353347 /nfs/dbraw/zinc/35/33/47/800353347.db2.gz ITLWYRAZGFUZDW-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150625083 800353358 /nfs/dbraw/zinc/35/33/58/800353358.db2.gz ITLWYRAZGFUZDW-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150625083 800353366 /nfs/dbraw/zinc/35/33/66/800353366.db2.gz ITLWYRAZGFUZDW-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152387002 800514524 /nfs/dbraw/zinc/51/45/24/800514524.db2.gz WNEMCPNLOSWDBH-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152387002 800514528 /nfs/dbraw/zinc/51/45/28/800514528.db2.gz WNEMCPNLOSWDBH-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152387002 800514530 /nfs/dbraw/zinc/51/45/30/800514530.db2.gz WNEMCPNLOSWDBH-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409124 801162275 /nfs/dbraw/zinc/16/22/75/801162275.db2.gz FDJHVJRWZLYKGY-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158506524 801660067 /nfs/dbraw/zinc/66/00/67/801660067.db2.gz KZFQQNZOEVWEQS-LSDHHAIUSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](C)OC ZINC001160197906 801918523 /nfs/dbraw/zinc/91/85/23/801918523.db2.gz NDGNWXOFQKSLQO-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](C)OC ZINC001160197906 801918526 /nfs/dbraw/zinc/91/85/26/801918526.db2.gz NDGNWXOFQKSLQO-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001264723805 809674694 /nfs/dbraw/zinc/67/46/94/809674694.db2.gz WURIYQPPDPLFND-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001264723805 809674698 /nfs/dbraw/zinc/67/46/98/809674698.db2.gz WURIYQPPDPLFND-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP Cc1ccc(CC#N)c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)[nH+]1 ZINC001165283962 802813767 /nfs/dbraw/zinc/81/37/67/802813767.db2.gz HALVGMXLCKWVRR-HIFRSBDPSA-N 2 1 272.352 0.474 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001267753729 811747190 /nfs/dbraw/zinc/74/71/90/811747190.db2.gz CYFFBHDWWMDCKA-CQSZACIVSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2cnc[nH]2)C12CCC2 ZINC001203444969 803027619 /nfs/dbraw/zinc/02/76/19/803027619.db2.gz WRWTYHSBVHVONJ-KGLIPLIRSA-N 2 1 286.379 0.993 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206585874 803270309 /nfs/dbraw/zinc/27/03/09/803270309.db2.gz GLHZZMDMOICBOQ-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550722 803419032 /nfs/dbraw/zinc/41/90/32/803419032.db2.gz GZALHDSULAKYJQ-BPLDGKMQSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCOC)C1 ZINC001208353221 803508563 /nfs/dbraw/zinc/50/85/63/803508563.db2.gz ZSLATAGFJWQXEX-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCOC)C1 ZINC001208353221 803508566 /nfs/dbraw/zinc/50/85/66/803508566.db2.gz ZSLATAGFJWQXEX-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411032 803512317 /nfs/dbraw/zinc/51/23/17/803512317.db2.gz LETDBEIDBWTKMA-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411032 803512318 /nfs/dbraw/zinc/51/23/18/803512318.db2.gz LETDBEIDBWTKMA-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208527003 803519856 /nfs/dbraw/zinc/51/98/56/803519856.db2.gz GAGYMVSRUOYONO-MGPQQGTHSA-N 2 1 265.401 0.642 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001209640875 803619296 /nfs/dbraw/zinc/61/92/96/803619296.db2.gz DTPKZCGFZRFMCC-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213920355 803706148 /nfs/dbraw/zinc/70/61/48/803706148.db2.gz WWHFGNLLHIRMHI-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213920355 803706153 /nfs/dbraw/zinc/70/61/53/803706153.db2.gz WWHFGNLLHIRMHI-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540978 803819912 /nfs/dbraw/zinc/81/99/12/803819912.db2.gz TWMCNCLEEVEGNJ-RRFJBIMHSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001221968805 804857919 /nfs/dbraw/zinc/85/79/19/804857919.db2.gz ATCLCFUHRSVSGT-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001221968805 804857928 /nfs/dbraw/zinc/85/79/28/804857928.db2.gz ATCLCFUHRSVSGT-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001221968805 804857934 /nfs/dbraw/zinc/85/79/34/804857934.db2.gz ATCLCFUHRSVSGT-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001221968805 804857940 /nfs/dbraw/zinc/85/79/40/804857940.db2.gz ATCLCFUHRSVSGT-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246305086 807215605 /nfs/dbraw/zinc/21/56/05/807215605.db2.gz GPXCORMRRNAXET-KGLIPLIRSA-N 3 1 295.427 0.945 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCN(C)C1 ZINC001246305098 807215982 /nfs/dbraw/zinc/21/59/82/807215982.db2.gz GQKYHFWELADVDF-OLZOCXBDSA-N 2 1 269.389 0.507 20 30 CCEDMP C[C@@H]1CC[N@H+]([C@@H]2CCN[C@H](C#N)C2)CC[C@@H]1C[NH3+] ZINC001246558635 807287755 /nfs/dbraw/zinc/28/77/55/807287755.db2.gz NOKGMNSBYCRBPL-YIYPIFLZSA-N 2 1 250.390 0.937 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083473663 815143155 /nfs/dbraw/zinc/14/31/55/815143155.db2.gz NVKGVFRHJARVHR-DGAVXFQQSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083473663 815143159 /nfs/dbraw/zinc/14/31/59/815143159.db2.gz NVKGVFRHJARVHR-DGAVXFQQSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083473663 815143161 /nfs/dbraw/zinc/14/31/61/815143161.db2.gz NVKGVFRHJARVHR-DGAVXFQQSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083473663 815143164 /nfs/dbraw/zinc/14/31/64/815143164.db2.gz NVKGVFRHJARVHR-DGAVXFQQSA-N 2 1 281.400 0.064 20 30 CCEDMP C=C[C@@H](O)C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001253578011 808085311 /nfs/dbraw/zinc/08/53/11/808085311.db2.gz TVZLHBVOEBCJCA-LLVKDONJSA-N 2 1 253.346 0.663 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001278828743 808300777 /nfs/dbraw/zinc/30/07/77/808300777.db2.gz PSONUVJOXFZTSI-MRXNPFEDSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278828743 808300782 /nfs/dbraw/zinc/30/07/82/808300782.db2.gz PSONUVJOXFZTSI-MRXNPFEDSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278828743 808300789 /nfs/dbraw/zinc/30/07/89/808300789.db2.gz PSONUVJOXFZTSI-MRXNPFEDSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001088816518 815200196 /nfs/dbraw/zinc/20/01/96/815200196.db2.gz FVPDXJPNBUZGMM-XGUBFFRZSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001088816518 815200201 /nfs/dbraw/zinc/20/02/01/815200201.db2.gz FVPDXJPNBUZGMM-XGUBFFRZSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001088816518 815200203 /nfs/dbraw/zinc/20/02/03/815200203.db2.gz FVPDXJPNBUZGMM-XGUBFFRZSA-N 2 1 277.412 0.929 20 30 CCEDMP C=CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCOC ZINC001279045160 808635597 /nfs/dbraw/zinc/63/55/97/808635597.db2.gz QSAMMJKHACFEGM-HNNXBMFYSA-N 2 1 295.427 0.579 20 30 CCEDMP CC1(C)CC[N@@H+](CCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC001263247753 809494090 /nfs/dbraw/zinc/49/40/90/809494090.db2.gz IBWWRUNTUZXBRO-UHFFFAOYSA-N 2 1 277.412 0.838 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001263878262 809596917 /nfs/dbraw/zinc/59/69/17/809596917.db2.gz RHGRRZSRKWAZHC-IHRRRGAJSA-N 2 1 263.385 0.446 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001263926453 809608043 /nfs/dbraw/zinc/60/80/43/809608043.db2.gz QWQDFGIHQBYFFZ-RRFJBIMHSA-N 2 1 277.412 0.836 20 30 CCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001264078375 809628248 /nfs/dbraw/zinc/62/82/48/809628248.db2.gz JBAUYWOQBVRKIQ-AWEZNQCLSA-N 2 1 283.416 0.409 20 30 CCEDMP C#CCC[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1C ZINC001265068791 809703903 /nfs/dbraw/zinc/70/39/03/809703903.db2.gz SQFXDMOGSDOILH-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP C#CCC[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1C ZINC001265068791 809703906 /nfs/dbraw/zinc/70/39/06/809703906.db2.gz SQFXDMOGSDOILH-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001265357217 809763700 /nfs/dbraw/zinc/76/37/00/809763700.db2.gz WGLQQOBGAKPDTO-BPLDGKMQSA-N 2 1 277.412 0.834 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001265481465 809789086 /nfs/dbraw/zinc/78/90/86/809789086.db2.gz KHDRAYXWIYOOLQ-HAQNSBGRSA-N 2 1 251.374 0.894 20 30 CCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001265774165 809848901 /nfs/dbraw/zinc/84/89/01/809848901.db2.gz AWWJPNRHZLTQDH-MGPQQGTHSA-N 2 1 281.400 0.071 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001265895357 809886818 /nfs/dbraw/zinc/88/68/18/809886818.db2.gz JYLMZRHVBKLPGK-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@@H+](CC)CCCNC(=O)C[NH+](C)C(C)C ZINC001266112287 809937801 /nfs/dbraw/zinc/93/78/01/809937801.db2.gz KLBMCUAPQDBNNK-UHFFFAOYSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[NH+](CC)CCCNC(=O)C[N@H+](C)C(C)C ZINC001266112287 809937806 /nfs/dbraw/zinc/93/78/06/809937806.db2.gz KLBMCUAPQDBNNK-UHFFFAOYSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[NH+](CC)CCCNC(=O)C[N@@H+](C)C(C)C ZINC001266112287 809937812 /nfs/dbraw/zinc/93/78/12/809937812.db2.gz KLBMCUAPQDBNNK-UHFFFAOYSA-N 2 1 253.390 0.788 20 30 CCEDMP C=CC[NH2+][C@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001266179284 809955908 /nfs/dbraw/zinc/95/59/08/809955908.db2.gz XUZLDZNZTRQGOZ-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001266189391 809958052 /nfs/dbraw/zinc/95/80/52/809958052.db2.gz QSAZUXFIHAFOQL-UONOGXRCSA-N 2 1 281.400 0.072 20 30 CCEDMP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001267320569 811151218 /nfs/dbraw/zinc/15/12/18/811151218.db2.gz OSBQJIAQYLDUOP-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+](CCC)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001267320569 811151221 /nfs/dbraw/zinc/15/12/21/811151221.db2.gz OSBQJIAQYLDUOP-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001267320569 811151225 /nfs/dbraw/zinc/15/12/25/811151225.db2.gz OSBQJIAQYLDUOP-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001267320569 811151227 /nfs/dbraw/zinc/15/12/27/811151227.db2.gz OSBQJIAQYLDUOP-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+](CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001267341517 811179231 /nfs/dbraw/zinc/17/92/31/811179231.db2.gz YMPAUDFNNSLKKO-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001267341517 811179236 /nfs/dbraw/zinc/17/92/36/811179236.db2.gz YMPAUDFNNSLKKO-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001267341517 811179239 /nfs/dbraw/zinc/17/92/39/811179239.db2.gz YMPAUDFNNSLKKO-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001267341517 811179243 /nfs/dbraw/zinc/17/92/43/811179243.db2.gz YMPAUDFNNSLKKO-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001267392012 811276755 /nfs/dbraw/zinc/27/67/55/811276755.db2.gz YWCVTAIJLXIPTL-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267622234 811579962 /nfs/dbraw/zinc/57/99/62/811579962.db2.gz RHHPLTSMZVQKKM-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267815238 811809467 /nfs/dbraw/zinc/80/94/67/811809467.db2.gz MGVSMOOPYMEBNS-OLZOCXBDSA-N 2 1 251.374 0.588 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075613796 812402726 /nfs/dbraw/zinc/40/27/26/812402726.db2.gz PYXIOWAPHABNRJ-MELADBBJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075613796 812402730 /nfs/dbraw/zinc/40/27/30/812402730.db2.gz PYXIOWAPHABNRJ-MELADBBJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075613796 812402733 /nfs/dbraw/zinc/40/27/33/812402733.db2.gz PYXIOWAPHABNRJ-MELADBBJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601612 815529908 /nfs/dbraw/zinc/52/99/08/815529908.db2.gz DLQZCQCKZHXUMR-KGLIPLIRSA-N 2 1 293.411 0.352 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601612 815529912 /nfs/dbraw/zinc/52/99/12/815529912.db2.gz DLQZCQCKZHXUMR-KGLIPLIRSA-N 2 1 293.411 0.352 20 30 CCEDMP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C ZINC001268471050 812621601 /nfs/dbraw/zinc/62/16/01/812621601.db2.gz KCXRTVXJWKHTAG-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001268647797 812977438 /nfs/dbraw/zinc/97/74/38/812977438.db2.gz HXCLIMBZWWJMMR-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268706484 813024093 /nfs/dbraw/zinc/02/40/93/813024093.db2.gz JSUWVUDABJMPQP-UONOGXRCSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCOC ZINC001268734101 813048603 /nfs/dbraw/zinc/04/86/03/813048603.db2.gz RRJHHINCQYZGJX-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCOC ZINC001268734101 813048616 /nfs/dbraw/zinc/04/86/16/813048616.db2.gz RRJHHINCQYZGJX-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCOC ZINC001268734101 813048625 /nfs/dbraw/zinc/04/86/25/813048625.db2.gz RRJHHINCQYZGJX-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCOC ZINC001268734101 813048628 /nfs/dbraw/zinc/04/86/28/813048628.db2.gz RRJHHINCQYZGJX-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCOC ZINC001268734101 813048637 /nfs/dbraw/zinc/04/86/37/813048637.db2.gz RRJHHINCQYZGJX-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001268752429 813062104 /nfs/dbraw/zinc/06/21/04/813062104.db2.gz NNBYHXFPMPJRFS-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268752429 813062110 /nfs/dbraw/zinc/06/21/10/813062110.db2.gz NNBYHXFPMPJRFS-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268752429 813062115 /nfs/dbraw/zinc/06/21/15/813062115.db2.gz NNBYHXFPMPJRFS-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(CC#CCOC)C1 ZINC001269288309 813306792 /nfs/dbraw/zinc/30/67/92/813306792.db2.gz UATGQGYEQMNNIB-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001269288309 813306798 /nfs/dbraw/zinc/30/67/98/813306798.db2.gz UATGQGYEQMNNIB-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001269288309 813306805 /nfs/dbraw/zinc/30/68/05/813306805.db2.gz UATGQGYEQMNNIB-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001269288309 813306811 /nfs/dbraw/zinc/30/68/11/813306811.db2.gz UATGQGYEQMNNIB-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001269288309 813306816 /nfs/dbraw/zinc/30/68/16/813306816.db2.gz UATGQGYEQMNNIB-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001270614510 813839001 /nfs/dbraw/zinc/83/90/01/813839001.db2.gz GRWMZKKYSQMTDK-GDBMZVCRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001270614510 813839011 /nfs/dbraw/zinc/83/90/11/813839011.db2.gz GRWMZKKYSQMTDK-GDBMZVCRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001270614510 813839023 /nfs/dbraw/zinc/83/90/23/813839023.db2.gz GRWMZKKYSQMTDK-GDBMZVCRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971233 814291038 /nfs/dbraw/zinc/29/10/38/814291038.db2.gz MISWNIJYYIKHPO-LVQVYYBASA-N 2 1 289.423 0.740 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971233 814291043 /nfs/dbraw/zinc/29/10/43/814291043.db2.gz MISWNIJYYIKHPO-LVQVYYBASA-N 2 1 289.423 0.740 20 30 CCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001271193217 814329693 /nfs/dbraw/zinc/32/96/93/814329693.db2.gz SYQYEADXEHPHNV-MRXNPFEDSA-N 2 1 297.443 0.703 20 30 CCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001271193217 814329701 /nfs/dbraw/zinc/32/97/01/814329701.db2.gz SYQYEADXEHPHNV-MRXNPFEDSA-N 2 1 297.443 0.703 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001271193217 814329709 /nfs/dbraw/zinc/32/97/09/814329709.db2.gz SYQYEADXEHPHNV-MRXNPFEDSA-N 2 1 297.443 0.703 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106060 814410414 /nfs/dbraw/zinc/41/04/14/814410414.db2.gz LYUHLFKJOMPEBD-XHSDSOJGSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106060 814410416 /nfs/dbraw/zinc/41/04/16/814410416.db2.gz LYUHLFKJOMPEBD-XHSDSOJGSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106060 814410417 /nfs/dbraw/zinc/41/04/17/814410417.db2.gz LYUHLFKJOMPEBD-XHSDSOJGSA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199166 814444244 /nfs/dbraw/zinc/44/42/44/814444244.db2.gz DKIIYWKORYRISL-ILXRZTDVSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199166 814444246 /nfs/dbraw/zinc/44/42/46/814444246.db2.gz DKIIYWKORYRISL-ILXRZTDVSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199166 814444248 /nfs/dbraw/zinc/44/42/48/814444248.db2.gz DKIIYWKORYRISL-ILXRZTDVSA-N 2 1 277.412 0.904 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001271459951 814454078 /nfs/dbraw/zinc/45/40/78/814454078.db2.gz XKBPWIMICWJXPU-KGLIPLIRSA-N 2 1 265.401 0.786 20 30 CCEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001271929862 814632707 /nfs/dbraw/zinc/63/27/07/814632707.db2.gz FADRJHLYUNXHLX-OLZOCXBDSA-N 2 1 253.390 0.855 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030161621 815854546 /nfs/dbraw/zinc/85/45/46/815854546.db2.gz OPBNCDNHCRFDPD-ZDUSSCGKSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030161621 815854550 /nfs/dbraw/zinc/85/45/50/815854550.db2.gz OPBNCDNHCRFDPD-ZDUSSCGKSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001089040711 816221625 /nfs/dbraw/zinc/22/16/25/816221625.db2.gz HRHCORAZVQVVHL-YPMHNXCESA-N 2 1 262.357 0.957 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001089040711 816221632 /nfs/dbraw/zinc/22/16/32/816221632.db2.gz HRHCORAZVQVVHL-YPMHNXCESA-N 2 1 262.357 0.957 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001089050151 816226969 /nfs/dbraw/zinc/22/69/69/816226969.db2.gz TZUDCSKUEMBNBO-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001089050151 816226977 /nfs/dbraw/zinc/22/69/77/816226977.db2.gz TZUDCSKUEMBNBO-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089050151 816226982 /nfs/dbraw/zinc/22/69/82/816226982.db2.gz TZUDCSKUEMBNBO-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089050151 816226987 /nfs/dbraw/zinc/22/69/87/816226987.db2.gz TZUDCSKUEMBNBO-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001272384232 816379778 /nfs/dbraw/zinc/37/97/78/816379778.db2.gz NUBSMQFFTZFRJG-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001272460584 816447945 /nfs/dbraw/zinc/44/79/45/816447945.db2.gz DJUKGGUKNCZDKO-CQSZACIVSA-N 2 1 297.443 0.892 20 30 CCEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001272461158 816448159 /nfs/dbraw/zinc/44/81/59/816448159.db2.gz LZNZPADTSSLYSJ-GJZGRUSLSA-N 2 1 295.427 0.197 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001121938914 816490762 /nfs/dbraw/zinc/49/07/62/816490762.db2.gz YRVFJAXAGKMBQP-STQMWFEESA-N 2 1 291.399 0.577 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727327 816717548 /nfs/dbraw/zinc/71/75/48/816717548.db2.gz XJIJEFJOCBMILZ-FQUUOJAGSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727327 816717555 /nfs/dbraw/zinc/71/75/55/816717555.db2.gz XJIJEFJOCBMILZ-FQUUOJAGSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727327 816717564 /nfs/dbraw/zinc/71/75/64/816717564.db2.gz XJIJEFJOCBMILZ-FQUUOJAGSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727327 816717570 /nfs/dbraw/zinc/71/75/70/816717570.db2.gz XJIJEFJOCBMILZ-FQUUOJAGSA-N 2 1 281.400 0.064 20 30 CCEDMP N#Cc1cc(F)cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234992425 816791331 /nfs/dbraw/zinc/79/13/31/816791331.db2.gz ZNKFIZYOXXJSJL-HNNXBMFYSA-N 2 1 274.343 0.835 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106881352 816974266 /nfs/dbraw/zinc/97/42/66/816974266.db2.gz CJOHYOZJTZGECV-QLFBSQMISA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001031918352 817462695 /nfs/dbraw/zinc/46/26/95/817462695.db2.gz HHSYPWAPCCINJN-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001031918352 817462699 /nfs/dbraw/zinc/46/26/99/817462699.db2.gz HHSYPWAPCCINJN-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986405 817574514 /nfs/dbraw/zinc/57/45/14/817574514.db2.gz NMLKJFHXERAJEY-TZMCWYRMSA-N 2 1 274.368 0.509 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077612809 817874177 /nfs/dbraw/zinc/87/41/77/817874177.db2.gz QDEFWVAESFDJAV-ZIAGYGMSSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001077675330 817980774 /nfs/dbraw/zinc/98/07/74/817980774.db2.gz JIZISWZBRYLDLY-BFHYXJOUSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001077675330 817980775 /nfs/dbraw/zinc/98/07/75/817980775.db2.gz JIZISWZBRYLDLY-BFHYXJOUSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675330 817980778 /nfs/dbraw/zinc/98/07/78/817980778.db2.gz JIZISWZBRYLDLY-BFHYXJOUSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675330 817980781 /nfs/dbraw/zinc/98/07/81/817980781.db2.gz JIZISWZBRYLDLY-BFHYXJOUSA-N 2 1 281.400 0.208 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001078811918 818055368 /nfs/dbraw/zinc/05/53/68/818055368.db2.gz BHYLUZAIBGAMLZ-KGLIPLIRSA-N 2 1 286.379 0.842 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032960620 818390310 /nfs/dbraw/zinc/39/03/10/818390310.db2.gz XVWLAKPNTLJJCH-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032960620 818390280 /nfs/dbraw/zinc/39/02/80/818390280.db2.gz XVWLAKPNTLJJCH-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032960620 818390286 /nfs/dbraw/zinc/39/02/86/818390286.db2.gz XVWLAKPNTLJJCH-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032960620 818390302 /nfs/dbraw/zinc/39/03/02/818390302.db2.gz XVWLAKPNTLJJCH-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033660513 818881559 /nfs/dbraw/zinc/88/15/59/818881559.db2.gz HXDFBENPZRDQIX-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033660513 818881560 /nfs/dbraw/zinc/88/15/60/818881560.db2.gz HXDFBENPZRDQIX-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033660513 818881564 /nfs/dbraw/zinc/88/15/64/818881564.db2.gz HXDFBENPZRDQIX-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001035613913 819588975 /nfs/dbraw/zinc/58/89/75/819588975.db2.gz MKGZOPLICOZHAI-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035613913 819588982 /nfs/dbraw/zinc/58/89/82/819588982.db2.gz MKGZOPLICOZHAI-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035613913 819588987 /nfs/dbraw/zinc/58/89/87/819588987.db2.gz MKGZOPLICOZHAI-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCN1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082138056 820903963 /nfs/dbraw/zinc/90/39/63/820903963.db2.gz NEVTVXCVCCYAEV-ZIAGYGMSSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCN1C[C@@H](NC(=O)CN2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082138056 820903970 /nfs/dbraw/zinc/90/39/70/820903970.db2.gz NEVTVXCVCCYAEV-ZIAGYGMSSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082742060 821030878 /nfs/dbraw/zinc/03/08/78/821030878.db2.gz PLKDYEHERPPYRU-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085159137 821520181 /nfs/dbraw/zinc/52/01/81/821520181.db2.gz JCNSHAQLOTVBAT-MGPQQGTHSA-N 2 1 281.400 0.520 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085159137 821520184 /nfs/dbraw/zinc/52/01/84/821520184.db2.gz JCNSHAQLOTVBAT-MGPQQGTHSA-N 2 1 281.400 0.520 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085422282 821681430 /nfs/dbraw/zinc/68/14/30/821681430.db2.gz NEHCGDGEZPKQGB-MGPQQGTHSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798987 821960082 /nfs/dbraw/zinc/96/00/82/821960082.db2.gz GEMKNKHWPSWYFB-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086364364 822227156 /nfs/dbraw/zinc/22/71/56/822227156.db2.gz AXMVIOLUIJOUJW-KKUMJFAQSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129410571 837501642 /nfs/dbraw/zinc/50/16/42/837501642.db2.gz MVEILILDXQCPRQ-ZDUSSCGKSA-N 2 1 251.374 0.588 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129422350 837503939 /nfs/dbraw/zinc/50/39/39/837503939.db2.gz HRBPOSNIACFASA-CQSZACIVSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CC(C)C1 ZINC001129770077 837557492 /nfs/dbraw/zinc/55/74/92/837557492.db2.gz AFEYHBWOQDLEOT-NRXISQOPSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CC(C)C1 ZINC001129770077 837557497 /nfs/dbraw/zinc/55/74/97/837557497.db2.gz AFEYHBWOQDLEOT-NRXISQOPSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156373899 836432565 /nfs/dbraw/zinc/43/25/65/836432565.db2.gz DFXYSRASLIKLSW-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156373899 836432566 /nfs/dbraw/zinc/43/25/66/836432566.db2.gz DFXYSRASLIKLSW-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156373899 836432571 /nfs/dbraw/zinc/43/25/71/836432571.db2.gz DFXYSRASLIKLSW-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001108804452 836531685 /nfs/dbraw/zinc/53/16/85/836531685.db2.gz SHCSENBVQWOJRS-ZNMIVQPWSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001112578556 836800238 /nfs/dbraw/zinc/80/02/38/836800238.db2.gz USYYJKRDGDGNCV-VYDXJSESSA-N 2 1 289.423 0.790 20 30 CCEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467580 837153605 /nfs/dbraw/zinc/15/36/05/837153605.db2.gz JHRQQCLDDHOBME-UHFFFAOYSA-N 2 1 295.427 0.247 20 30 CCEDMP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001273495530 844314205 /nfs/dbraw/zinc/31/42/05/844314205.db2.gz APVRZGYXPDVKLE-AWEZNQCLSA-N 2 1 281.400 0.121 20 30 CCEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001273495530 844314216 /nfs/dbraw/zinc/31/42/16/844314216.db2.gz APVRZGYXPDVKLE-AWEZNQCLSA-N 2 1 281.400 0.121 20 30 CCEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001273495530 844314226 /nfs/dbraw/zinc/31/42/26/844314226.db2.gz APVRZGYXPDVKLE-AWEZNQCLSA-N 2 1 281.400 0.121 20 30 CCEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001273495530 844314235 /nfs/dbraw/zinc/31/42/35/844314235.db2.gz APVRZGYXPDVKLE-AWEZNQCLSA-N 2 1 281.400 0.121 20 30 CCEDMP C[NH+](C)CCC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001133294557 838592107 /nfs/dbraw/zinc/59/21/07/838592107.db2.gz NDVHOBDMXUFKNH-UHFFFAOYSA-N 2 1 292.358 0.855 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102958 839162059 /nfs/dbraw/zinc/16/20/59/839162059.db2.gz RAKORVJXCSPEFF-UONOGXRCSA-N 2 1 263.385 0.732 20 30 CCEDMP C=CC[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135892684 839455467 /nfs/dbraw/zinc/45/54/67/839455467.db2.gz UVCKZTHQRPOQMK-UHFFFAOYSA-N 2 1 271.324 0.773 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090811643 839830429 /nfs/dbraw/zinc/83/04/29/839830429.db2.gz CRUBYAKWIRSYLJ-LSDHHAIUSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148611666 840844625 /nfs/dbraw/zinc/84/46/25/840844625.db2.gz IOAANXLBWVMWPI-UHFFFAOYSA-N 2 1 295.427 0.675 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620309 841050901 /nfs/dbraw/zinc/05/09/01/841050901.db2.gz ASQSBANVXBOTMI-KBUPBQIOSA-N 2 1 277.412 0.644 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620309 841050909 /nfs/dbraw/zinc/05/09/09/841050909.db2.gz ASQSBANVXBOTMI-KBUPBQIOSA-N 2 1 277.412 0.644 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620309 841050916 /nfs/dbraw/zinc/05/09/16/841050916.db2.gz ASQSBANVXBOTMI-KBUPBQIOSA-N 2 1 277.412 0.644 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171725838 841752534 /nfs/dbraw/zinc/75/25/34/841752534.db2.gz SWMUMVVWHFEGFY-UHFFFAOYSA-N 2 1 253.390 0.838 20 30 CCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176986426 842474727 /nfs/dbraw/zinc/47/47/27/842474727.db2.gz NXFLXZSBWPCROU-ZDUSSCGKSA-N 2 1 298.431 0.113 20 30 CCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#CCOC ZINC001176986759 842477696 /nfs/dbraw/zinc/47/76/96/842477696.db2.gz VIBWZRHNGRSVAZ-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178361424 842831512 /nfs/dbraw/zinc/83/15/12/842831512.db2.gz YWXNELXWNGSXIP-IHRRRGAJSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179925842 843080248 /nfs/dbraw/zinc/08/02/48/843080248.db2.gz VHRGCRHCFPZKOI-ZNMIVQPWSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180222620 843117867 /nfs/dbraw/zinc/11/78/67/843117867.db2.gz QNXTZEJOIPLVRR-STQMWFEESA-N 2 1 251.374 0.539 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001273467531 843303683 /nfs/dbraw/zinc/30/36/83/843303683.db2.gz UKURJUITXWOUGE-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699458 845079111 /nfs/dbraw/zinc/07/91/11/845079111.db2.gz MJLNZEPIFRFOIV-CQSZACIVSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699457 845079195 /nfs/dbraw/zinc/07/91/95/845079195.db2.gz MJLNZEPIFRFOIV-AWEZNQCLSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190666924 845448488 /nfs/dbraw/zinc/44/84/88/845448488.db2.gz PTWRLMBEIZIJIQ-GJZGRUSLSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901590 845524775 /nfs/dbraw/zinc/52/47/75/845524775.db2.gz YVGKYPOECNNLLS-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901590 845524782 /nfs/dbraw/zinc/52/47/82/845524782.db2.gz YVGKYPOECNNLLS-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190901590 845524784 /nfs/dbraw/zinc/52/47/84/845524784.db2.gz YVGKYPOECNNLLS-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190901590 845524790 /nfs/dbraw/zinc/52/47/90/845524790.db2.gz YVGKYPOECNNLLS-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001190900806 845525810 /nfs/dbraw/zinc/52/58/10/845525810.db2.gz SGYHUDBMSVTKFS-HUUCEWRRSA-N 2 1 295.427 0.509 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057526 847214610 /nfs/dbraw/zinc/21/46/10/847214610.db2.gz LVQHMIXUFYQQIN-HUUCEWRRSA-N 2 1 293.411 0.047 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057526 847214618 /nfs/dbraw/zinc/21/46/18/847214618.db2.gz LVQHMIXUFYQQIN-HUUCEWRRSA-N 2 1 293.411 0.047 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001199353104 847296964 /nfs/dbraw/zinc/29/69/64/847296964.db2.gz AWVPNWROQFWAJP-CHWSQXEVSA-N 2 1 278.356 0.011 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001199353104 847296974 /nfs/dbraw/zinc/29/69/74/847296974.db2.gz AWVPNWROQFWAJP-CHWSQXEVSA-N 2 1 278.356 0.011 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200807589 847693962 /nfs/dbraw/zinc/69/39/62/847693962.db2.gz WHQWBZLXOLVCMR-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCOC)CC1 ZINC001201094481 847720711 /nfs/dbraw/zinc/72/07/11/847720711.db2.gz TUAYQRWHCZWODS-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCOC)CC1 ZINC001201094481 847720714 /nfs/dbraw/zinc/72/07/14/847720714.db2.gz TUAYQRWHCZWODS-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201240167 847746546 /nfs/dbraw/zinc/74/65/46/847746546.db2.gz OTSROGFUINJPPU-UKRRQHHQSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201240167 847746550 /nfs/dbraw/zinc/74/65/50/847746550.db2.gz OTSROGFUINJPPU-UKRRQHHQSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059932 847851832 /nfs/dbraw/zinc/85/18/32/847851832.db2.gz SWIQWXJCDVTNQR-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001202504658 848003253 /nfs/dbraw/zinc/00/32/53/848003253.db2.gz VHDFPFXBXKCFJW-HIFRSBDPSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCOCC1 ZINC001273988109 848208527 /nfs/dbraw/zinc/20/85/27/848208527.db2.gz XFIRAORMMFSYIA-UHFFFAOYSA-N 2 1 292.383 0.633 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001274741099 848557821 /nfs/dbraw/zinc/55/78/21/848557821.db2.gz KUZGUHKLZVOEOK-STQMWFEESA-N 2 1 251.374 0.588 20 30 CCEDMP CC#CC[NH2+]CC1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001275299013 848688018 /nfs/dbraw/zinc/68/80/18/848688018.db2.gz CADAWQBYAMDYQX-UHFFFAOYSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[NH+](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001275707555 848797280 /nfs/dbraw/zinc/79/72/80/848797280.db2.gz WGEPOYKZGFGYQH-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)CCC ZINC001275707555 848797285 /nfs/dbraw/zinc/79/72/85/848797285.db2.gz WGEPOYKZGFGYQH-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)CCC ZINC001275707555 848797288 /nfs/dbraw/zinc/79/72/88/848797288.db2.gz WGEPOYKZGFGYQH-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001275977128 848879541 /nfs/dbraw/zinc/87/95/41/848879541.db2.gz NJBUGKBJGDGKCD-OLZOCXBDSA-N 2 1 253.390 0.786 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001095437904 848911377 /nfs/dbraw/zinc/91/13/77/848911377.db2.gz NQMOKYIMSSTLKC-ZSAUSMIDSA-N 2 1 275.396 0.681 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001095437904 848911385 /nfs/dbraw/zinc/91/13/85/848911385.db2.gz NQMOKYIMSSTLKC-ZSAUSMIDSA-N 2 1 275.396 0.681 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001095437904 848911393 /nfs/dbraw/zinc/91/13/93/848911393.db2.gz NQMOKYIMSSTLKC-ZSAUSMIDSA-N 2 1 275.396 0.681 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001095437904 848911402 /nfs/dbraw/zinc/91/14/02/848911402.db2.gz NQMOKYIMSSTLKC-ZSAUSMIDSA-N 2 1 275.396 0.681 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCCF ZINC001276052797 848911534 /nfs/dbraw/zinc/91/15/34/848911534.db2.gz MTJYIIKEBLEPRV-AWEZNQCLSA-N 2 1 283.391 0.882 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCCF ZINC001276052797 848911539 /nfs/dbraw/zinc/91/15/39/848911539.db2.gz MTJYIIKEBLEPRV-AWEZNQCLSA-N 2 1 283.391 0.882 20 30 CCEDMP C=C[C@H](O)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001253579799 849548595 /nfs/dbraw/zinc/54/85/95/849548595.db2.gz UFEGDJLYWCOKMS-AWEZNQCLSA-N 2 1 281.400 0.019 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039028873 850125575 /nfs/dbraw/zinc/12/55/75/850125575.db2.gz RYGXZOJKARTQNQ-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028873 850125582 /nfs/dbraw/zinc/12/55/82/850125582.db2.gz RYGXZOJKARTQNQ-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028873 850125590 /nfs/dbraw/zinc/12/55/90/850125590.db2.gz RYGXZOJKARTQNQ-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039039068 850132953 /nfs/dbraw/zinc/13/29/53/850132953.db2.gz KNOUFEJNPBQATR-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039039068 850132959 /nfs/dbraw/zinc/13/29/59/850132959.db2.gz KNOUFEJNPBQATR-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039039068 850132965 /nfs/dbraw/zinc/13/29/65/850132965.db2.gz KNOUFEJNPBQATR-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039039068 850132970 /nfs/dbraw/zinc/13/29/70/850132970.db2.gz KNOUFEJNPBQATR-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040529910 850298084 /nfs/dbraw/zinc/29/80/84/850298084.db2.gz SJUOKULVTWFZDY-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040529910 850298095 /nfs/dbraw/zinc/29/80/95/850298095.db2.gz SJUOKULVTWFZDY-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040529910 850298107 /nfs/dbraw/zinc/29/81/07/850298107.db2.gz SJUOKULVTWFZDY-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045640471 851293258 /nfs/dbraw/zinc/29/32/58/851293258.db2.gz SQNQVKBBOKWYRH-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047627927 851838056 /nfs/dbraw/zinc/83/80/56/851838056.db2.gz ABVFWYRBHIHYER-KKUMJFAQSA-N 2 1 295.427 0.408 20 30 CCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047627927 851838063 /nfs/dbraw/zinc/83/80/63/851838063.db2.gz ABVFWYRBHIHYER-KKUMJFAQSA-N 2 1 295.427 0.408 20 30 CCEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047627927 851838071 /nfs/dbraw/zinc/83/80/71/851838071.db2.gz ABVFWYRBHIHYER-KKUMJFAQSA-N 2 1 295.427 0.408 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863002 852087870 /nfs/dbraw/zinc/08/78/70/852087870.db2.gz CUZYXAGYNREIED-OWCLPIDISA-N 2 1 289.423 0.740 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049174657 852185043 /nfs/dbraw/zinc/18/50/43/852185043.db2.gz VUNAWYBGQJIGAO-GASCZTMLSA-N 2 1 287.407 0.496 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3ccnc3C)C[C@H]2C1 ZINC001049215879 852195423 /nfs/dbraw/zinc/19/54/23/852195423.db2.gz OITZMQQILQQGCL-GASCZTMLSA-N 2 1 286.379 0.605 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001049215879 852195427 /nfs/dbraw/zinc/19/54/27/852195427.db2.gz OITZMQQILQQGCL-GASCZTMLSA-N 2 1 286.379 0.605 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001049215879 852195431 /nfs/dbraw/zinc/19/54/31/852195431.db2.gz OITZMQQILQQGCL-GASCZTMLSA-N 2 1 286.379 0.605 20 30 CCEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001276379469 852446627 /nfs/dbraw/zinc/44/66/27/852446627.db2.gz GURYAIVGLFRNMV-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052934115 852673558 /nfs/dbraw/zinc/67/35/58/852673558.db2.gz IBWNAGVJSLYUKM-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001052934115 852673565 /nfs/dbraw/zinc/67/35/65/852673565.db2.gz IBWNAGVJSLYUKM-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052934115 852673574 /nfs/dbraw/zinc/67/35/74/852673574.db2.gz IBWNAGVJSLYUKM-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072814379 854470196 /nfs/dbraw/zinc/47/01/96/854470196.db2.gz BXFBKLTWIIYARR-HNNXBMFYSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@H](O)C1 ZINC001099810854 854998574 /nfs/dbraw/zinc/99/85/74/854998574.db2.gz UOQWBPZKLASNSI-CHWSQXEVSA-N 2 1 292.383 0.470 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100065213 855089727 /nfs/dbraw/zinc/08/97/27/855089727.db2.gz ZJPRBDPXMJEYRR-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100065213 855089730 /nfs/dbraw/zinc/08/97/30/855089730.db2.gz ZJPRBDPXMJEYRR-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100065213 855089735 /nfs/dbraw/zinc/08/97/35/855089735.db2.gz ZJPRBDPXMJEYRR-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100212177 855120729 /nfs/dbraw/zinc/12/07/29/855120729.db2.gz RUXJTBLWTCQATP-RUXDESIVSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100212177 855120734 /nfs/dbraw/zinc/12/07/34/855120734.db2.gz RUXJTBLWTCQATP-RUXDESIVSA-N 2 1 281.400 0.378 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001100983364 855251274 /nfs/dbraw/zinc/25/12/74/855251274.db2.gz GOSQDHFTKLLYIP-UHFFFAOYSA-N 2 1 260.341 0.309 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102312845 855427466 /nfs/dbraw/zinc/42/74/66/855427466.db2.gz QORWACZUGMGOQA-CHWSQXEVSA-N 2 1 253.390 0.808 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369851 855432402 /nfs/dbraw/zinc/43/24/02/855432402.db2.gz IOWKJHCOPIYYMK-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369851 855432407 /nfs/dbraw/zinc/43/24/07/855432407.db2.gz IOWKJHCOPIYYMK-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369851 855432414 /nfs/dbraw/zinc/43/24/14/855432414.db2.gz IOWKJHCOPIYYMK-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102579021 855447006 /nfs/dbraw/zinc/44/70/06/855447006.db2.gz FIWKTOVGFLJUFT-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102579021 855447010 /nfs/dbraw/zinc/44/70/10/855447010.db2.gz FIWKTOVGFLJUFT-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819499 855471833 /nfs/dbraw/zinc/47/18/33/855471833.db2.gz TYBUVMQHFCYYAJ-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819499 855471838 /nfs/dbraw/zinc/47/18/38/855471838.db2.gz TYBUVMQHFCYYAJ-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102819499 855471844 /nfs/dbraw/zinc/47/18/44/855471844.db2.gz TYBUVMQHFCYYAJ-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102819499 855471850 /nfs/dbraw/zinc/47/18/50/855471850.db2.gz TYBUVMQHFCYYAJ-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C#CC[N@@H+](C[C@H](O)CC)C1CCN(C[C@@H](O)CC)CC1 ZINC001119267379 856605654 /nfs/dbraw/zinc/60/56/54/856605654.db2.gz XXPSESPDWQDFNZ-JKSUJKDBSA-N 2 1 282.428 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001324957914 913116507 /nfs/dbraw/zinc/11/65/07/913116507.db2.gz OVQSIRQWOXTRRH-OAHLLOKOSA-N 2 1 265.401 0.790 20 30 CCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001325097779 913211561 /nfs/dbraw/zinc/21/15/61/913211561.db2.gz OMQKSYRIMHDEDS-UMVBOHGHSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325097779 913211576 /nfs/dbraw/zinc/21/15/76/913211576.db2.gz OMQKSYRIMHDEDS-UMVBOHGHSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325097779 913211593 /nfs/dbraw/zinc/21/15/93/913211593.db2.gz OMQKSYRIMHDEDS-UMVBOHGHSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001325127688 913236313 /nfs/dbraw/zinc/23/63/13/913236313.db2.gz XCOUUCXSNSODPR-HNNXBMFYSA-N 2 1 283.416 0.457 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001419173891 891927712 /nfs/dbraw/zinc/92/77/12/891927712.db2.gz HDZDEBFKKLAZSM-RYUDHWBXSA-N 2 1 289.807 0.554 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001419173891 891927729 /nfs/dbraw/zinc/92/77/29/891927729.db2.gz HDZDEBFKKLAZSM-RYUDHWBXSA-N 2 1 289.807 0.554 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001481071208 892130598 /nfs/dbraw/zinc/13/05/98/892130598.db2.gz OMCAATWIZSUMLL-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001481071208 892130606 /nfs/dbraw/zinc/13/06/06/892130606.db2.gz OMCAATWIZSUMLL-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001481071208 892130611 /nfs/dbraw/zinc/13/06/11/892130611.db2.gz OMCAATWIZSUMLL-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001481107398 892171399 /nfs/dbraw/zinc/17/13/99/892171399.db2.gz ANMMHLPRACHWKQ-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001481705817 893056224 /nfs/dbraw/zinc/05/62/24/893056224.db2.gz OWLKMEYRAFKOCZ-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001481883911 893241188 /nfs/dbraw/zinc/24/11/88/893241188.db2.gz VVGCXXHINGAQJC-UONOGXRCSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001481883911 893241201 /nfs/dbraw/zinc/24/12/01/893241201.db2.gz VVGCXXHINGAQJC-UONOGXRCSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CCOCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001493498170 893413134 /nfs/dbraw/zinc/41/31/34/893413134.db2.gz ADJLRZRTRSFECG-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001483339927 895478045 /nfs/dbraw/zinc/47/80/45/895478045.db2.gz VKFZJERUGWWLKL-CYBMUJFWSA-N 2 1 293.415 0.681 20 30 CCEDMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001484081820 896184896 /nfs/dbraw/zinc/18/48/96/896184896.db2.gz BNHMRYJROGPLDL-GOEBONIOSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001484698606 896546475 /nfs/dbraw/zinc/54/64/75/896546475.db2.gz BBHDFIQQRVNOFE-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001485386234 897025746 /nfs/dbraw/zinc/02/57/46/897025746.db2.gz DKWYDCYWKPPYBS-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001485386234 897025750 /nfs/dbraw/zinc/02/57/50/897025750.db2.gz DKWYDCYWKPPYBS-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001485386234 897025758 /nfs/dbraw/zinc/02/57/58/897025758.db2.gz DKWYDCYWKPPYBS-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001485386234 897025765 /nfs/dbraw/zinc/02/57/65/897025765.db2.gz DKWYDCYWKPPYBS-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C=CCN1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107954632 897588023 /nfs/dbraw/zinc/58/80/23/897588023.db2.gz TZOCXILNXNJZPD-IIAWOOMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212403079 897862647 /nfs/dbraw/zinc/86/26/47/897862647.db2.gz BCWKDLBUGGALDF-ZIAGYGMSSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001032732059 898024253 /nfs/dbraw/zinc/02/42/53/898024253.db2.gz VNKQRHSLOHBYLE-KKUMJFAQSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032732059 898024261 /nfs/dbraw/zinc/02/42/61/898024261.db2.gz VNKQRHSLOHBYLE-KKUMJFAQSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032732059 898024276 /nfs/dbraw/zinc/02/42/76/898024276.db2.gz VNKQRHSLOHBYLE-KKUMJFAQSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001486149421 898688326 /nfs/dbraw/zinc/68/83/26/898688326.db2.gz WJDNHUXSWCDFRU-DZGCQCFKSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001486184010 898704362 /nfs/dbraw/zinc/70/43/62/898704362.db2.gz PBYNZWDCZBSXAH-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001486184010 898704370 /nfs/dbraw/zinc/70/43/70/898704370.db2.gz PBYNZWDCZBSXAH-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001486336806 898797676 /nfs/dbraw/zinc/79/76/76/898797676.db2.gz DSTMAPBVVGFAOQ-QLFBSQMISA-N 2 1 295.427 0.101 20 30 CCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001486336806 898797679 /nfs/dbraw/zinc/79/76/79/898797679.db2.gz DSTMAPBVVGFAOQ-QLFBSQMISA-N 2 1 295.427 0.101 20 30 CCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001486336806 898797693 /nfs/dbraw/zinc/79/76/93/898797693.db2.gz DSTMAPBVVGFAOQ-QLFBSQMISA-N 2 1 295.427 0.101 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001489313910 900465216 /nfs/dbraw/zinc/46/52/16/900465216.db2.gz GYDWGUZINUIUHS-OLZOCXBDSA-N 2 1 251.374 0.539 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001489313910 900465223 /nfs/dbraw/zinc/46/52/23/900465223.db2.gz GYDWGUZINUIUHS-OLZOCXBDSA-N 2 1 251.374 0.539 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001489313910 900465231 /nfs/dbraw/zinc/46/52/31/900465231.db2.gz GYDWGUZINUIUHS-OLZOCXBDSA-N 2 1 251.374 0.539 20 30 CCEDMP C=CC[NH+](C)CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001490251112 900581873 /nfs/dbraw/zinc/58/18/73/900581873.db2.gz WSOKZCIGMYFTLB-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[N@@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001490251112 900581880 /nfs/dbraw/zinc/58/18/80/900581880.db2.gz WSOKZCIGMYFTLB-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001490251112 900581887 /nfs/dbraw/zinc/58/18/87/900581887.db2.gz WSOKZCIGMYFTLB-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001329550163 903807629 /nfs/dbraw/zinc/80/76/29/903807629.db2.gz PNRQKADXTZBVKT-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001329550163 903807642 /nfs/dbraw/zinc/80/76/42/903807642.db2.gz PNRQKADXTZBVKT-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001329550163 903807651 /nfs/dbraw/zinc/80/76/51/903807651.db2.gz PNRQKADXTZBVKT-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001280967687 904182989 /nfs/dbraw/zinc/18/29/89/904182989.db2.gz HAEQFDJDPFPEML-ZDUSSCGKSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001316611347 904292892 /nfs/dbraw/zinc/29/28/92/904292892.db2.gz ZUGXVGODRSVYFW-CYBMUJFWSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001316611347 904292903 /nfs/dbraw/zinc/29/29/03/904292903.db2.gz ZUGXVGODRSVYFW-CYBMUJFWSA-N 2 1 251.374 0.801 20 30 CCEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001281968967 904378890 /nfs/dbraw/zinc/37/88/90/904378890.db2.gz RNGGDQRXOIMZJJ-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001282782712 904543502 /nfs/dbraw/zinc/54/35/02/904543502.db2.gz UPHKXGUGMRCGNP-MRXNPFEDSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001282782712 904543514 /nfs/dbraw/zinc/54/35/14/904543514.db2.gz UPHKXGUGMRCGNP-MRXNPFEDSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001283388364 904836849 /nfs/dbraw/zinc/83/68/49/904836849.db2.gz NTUSVBJDJHIHDU-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001283388364 904836871 /nfs/dbraw/zinc/83/68/71/904836871.db2.gz NTUSVBJDJHIHDU-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001283388364 904836895 /nfs/dbraw/zinc/83/68/95/904836895.db2.gz NTUSVBJDJHIHDU-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001283714666 904971923 /nfs/dbraw/zinc/97/19/23/904971923.db2.gz OUAWKHHZGNWQPJ-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001283714666 904971934 /nfs/dbraw/zinc/97/19/34/904971934.db2.gz OUAWKHHZGNWQPJ-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP CC#CC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001327926823 914869388 /nfs/dbraw/zinc/86/93/88/914869388.db2.gz UIIUAGVRSAMLRZ-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1C ZINC001337156350 921203448 /nfs/dbraw/zinc/20/34/48/921203448.db2.gz JSHULLFSHBFOCX-HAPAKHMDSA-N 2 1 292.383 0.585 20 30 CCEDMP C=CCC[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001491642048 907477389 /nfs/dbraw/zinc/47/73/89/907477389.db2.gz XUQMKNCJIDZGAT-CHWSQXEVSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001492128229 907711460 /nfs/dbraw/zinc/71/14/60/907711460.db2.gz MOGHMSXCIADVMW-CHWSQXEVSA-N 2 1 251.374 0.446 20 30 CCEDMP C=CC[N@@H+](CC)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317490066 908495639 /nfs/dbraw/zinc/49/56/39/908495639.db2.gz MCMCTRHEMVGHIZ-AWEZNQCLSA-N 2 1 283.416 0.579 20 30 CCEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001317086085 908969755 /nfs/dbraw/zinc/96/97/55/908969755.db2.gz FTKCLZONDFFONW-SHTZXODSSA-N 2 1 295.427 0.912 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317152049 909019643 /nfs/dbraw/zinc/01/96/43/909019643.db2.gz CHALKABBQQXLTQ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317186176 909035733 /nfs/dbraw/zinc/03/57/33/909035733.db2.gz JGGRJUWRDYHYAC-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[N@@H+](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001317448678 909222006 /nfs/dbraw/zinc/22/20/06/909222006.db2.gz BWXSEKCRRKREIL-UHFFFAOYSA-N 2 1 297.443 0.969 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317518080 909286863 /nfs/dbraw/zinc/28/68/63/909286863.db2.gz VDWXPMFUIXFXHD-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317974766 909556120 /nfs/dbraw/zinc/55/61/20/909556120.db2.gz CMXJCGKQONQPOA-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317974766 909556126 /nfs/dbraw/zinc/55/61/26/909556126.db2.gz CMXJCGKQONQPOA-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC#CCOC ZINC001318507442 909785894 /nfs/dbraw/zinc/78/58/94/909785894.db2.gz RAZSWVPKYZJVLK-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001319167341 910013674 /nfs/dbraw/zinc/01/36/74/910013674.db2.gz KUBHFVUYJMNMFK-CHWSQXEVSA-N 2 1 253.390 0.999 20 30 CCEDMP C=CCO[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC001320038720 910426763 /nfs/dbraw/zinc/42/67/63/910426763.db2.gz UZTXJENIFOQXLR-ZIAGYGMSSA-N 2 1 254.374 0.720 20 30 CCEDMP C=CCO[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC001320038720 910426777 /nfs/dbraw/zinc/42/67/77/910426777.db2.gz UZTXJENIFOQXLR-ZIAGYGMSSA-N 2 1 254.374 0.720 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCOC)CC1 ZINC001320091344 910458761 /nfs/dbraw/zinc/45/87/61/910458761.db2.gz TWNQANUFBIIHQP-UHFFFAOYSA-N 2 1 295.427 0.368 20 30 CCEDMP COCC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001322442550 911806066 /nfs/dbraw/zinc/80/60/66/911806066.db2.gz MKSKWABUMSGQPX-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001323013483 912071385 /nfs/dbraw/zinc/07/13/85/912071385.db2.gz CJBLFDONQIOSJF-OAHLLOKOSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001330319751 916550841 /nfs/dbraw/zinc/55/08/41/916550841.db2.gz PMFUIANPXLMKKE-QKDCVEJESA-N 2 1 286.379 0.509 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001330319751 916550863 /nfs/dbraw/zinc/55/08/63/916550863.db2.gz PMFUIANPXLMKKE-QKDCVEJESA-N 2 1 286.379 0.509 20 30 CCEDMP C#CC[N@@H+](C)CCOCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001331161269 917138559 /nfs/dbraw/zinc/13/85/59/917138559.db2.gz OFHSKLNUWBZXQE-CQSZACIVSA-N 2 1 281.400 0.026 20 30 CCEDMP CCN1CC[NH+](CCCNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001332094408 917858635 /nfs/dbraw/zinc/85/86/35/917858635.db2.gz RNUSPLAWTLLMLE-CQSZACIVSA-N 2 1 295.431 0.151 20 30 CCEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001332518809 918241919 /nfs/dbraw/zinc/24/19/19/918241919.db2.gz VNSCPDFFEHKQCE-SOUVJXGZSA-N 2 1 297.443 0.702 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001332634500 918331694 /nfs/dbraw/zinc/33/16/94/918331694.db2.gz XGYGQIMGFCLHDL-HUUCEWRRSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001332634500 918331698 /nfs/dbraw/zinc/33/16/98/918331698.db2.gz XGYGQIMGFCLHDL-HUUCEWRRSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001332634500 918331700 /nfs/dbraw/zinc/33/17/00/918331700.db2.gz XGYGQIMGFCLHDL-HUUCEWRRSA-N 2 1 297.443 0.798 20 30 CCEDMP C#CC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001340882577 922257330 /nfs/dbraw/zinc/25/73/30/922257330.db2.gz XTKFRZZCIPELFC-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]2C1 ZINC001342816219 923098876 /nfs/dbraw/zinc/09/88/76/923098876.db2.gz MIOYVUHURLIYPO-RVMXOQNASA-N 2 1 264.373 0.464 20 30 CCEDMP Cc1ccc(NCCNC(=O)C#CC2CC[NH2+]CC2)[nH+]c1 ZINC001342831195 923105610 /nfs/dbraw/zinc/10/56/10/923105610.db2.gz ZCZFNHAILZADPL-UHFFFAOYSA-N 2 1 286.379 0.921 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001342900407 923130510 /nfs/dbraw/zinc/13/05/10/923130510.db2.gz DYCPQUMVMJUZRD-NSHDSACASA-N 2 1 263.345 0.608 20 30 CCEDMP N#CCNC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000066497134 348745952 /nfs/dbraw/zinc/74/59/52/348745952.db2.gz YFTRERPLJZXQIB-UHFFFAOYSA-N 2 1 294.399 0.060 20 30 CCEDMP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1C#N ZINC000071150105 348904769 /nfs/dbraw/zinc/90/47/69/348904769.db2.gz OWSWRNOENJJNQV-UHFFFAOYSA-N 2 1 258.369 0.895 20 30 CCEDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1C#N ZINC000071150105 348904772 /nfs/dbraw/zinc/90/47/72/348904772.db2.gz OWSWRNOENJJNQV-UHFFFAOYSA-N 2 1 258.369 0.895 20 30 CCEDMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)C1CC1 ZINC000594439703 360308544 /nfs/dbraw/zinc/30/85/44/360308544.db2.gz YTEOOUVDPZHYKI-LBPRGKRZSA-N 2 1 252.362 0.608 20 30 CCEDMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595938345 360715150 /nfs/dbraw/zinc/71/51/50/360715150.db2.gz OOOMWOPPEITYOO-RYUDHWBXSA-N 2 1 266.389 0.997 20 30 CCEDMP C=CC[NH+]1CCC(NS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631909234 370756681 /nfs/dbraw/zinc/75/66/81/370756681.db2.gz YBYIDZUBBGVUFH-UHFFFAOYSA-N 2 1 289.445 0.508 20 30 CCEDMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000337084926 389042743 /nfs/dbraw/zinc/04/27/43/389042743.db2.gz ZCNFPPHFYJXNGJ-ZDUSSCGKSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000337084926 389042744 /nfs/dbraw/zinc/04/27/44/389042744.db2.gz ZCNFPPHFYJXNGJ-ZDUSSCGKSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000358231494 389145161 /nfs/dbraw/zinc/14/51/61/389145161.db2.gz TVRHRIRAOSUOEI-CQSZACIVSA-N 2 1 294.443 0.389 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247132809 389237194 /nfs/dbraw/zinc/23/71/94/389237194.db2.gz ATPMXQQTVCQZFL-IHRRRGAJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247132809 389237197 /nfs/dbraw/zinc/23/71/97/389237197.db2.gz ATPMXQQTVCQZFL-IHRRRGAJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247132809 389237199 /nfs/dbraw/zinc/23/71/99/389237199.db2.gz ATPMXQQTVCQZFL-IHRRRGAJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247132809 389237201 /nfs/dbraw/zinc/23/72/01/389237201.db2.gz ATPMXQQTVCQZFL-IHRRRGAJSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CCN1CC[C@H]([N@H+](C)CCCN(C)CC[NH+](C)C)C1=O ZINC000344062193 389277455 /nfs/dbraw/zinc/27/74/55/389277455.db2.gz MVGDCWKJAKAQAD-HNNXBMFYSA-N 2 1 296.459 0.589 20 30 CCEDMP CNC(=[NH2+])NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000264108540 389306912 /nfs/dbraw/zinc/30/69/12/389306912.db2.gz QDORUJFVUSRZJJ-UHFFFAOYSA-N 2 1 289.427 0.728 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccn(C)c1 ZINC000267354778 389370193 /nfs/dbraw/zinc/37/01/93/389370193.db2.gz VMGRDCWBECMVMG-ZDUSSCGKSA-N 2 1 263.389 0.914 20 30 CCEDMP CNC(NCC1([NH+](C)C)Cc2ccccc2C1)=[NH+]C ZINC000267465695 389371121 /nfs/dbraw/zinc/37/11/21/389371121.db2.gz WFZZWKSORCVSMY-UHFFFAOYSA-N 2 1 260.385 0.880 20 30 CCEDMP C=CCNC(=O)CN1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000163322564 389427496 /nfs/dbraw/zinc/42/74/96/389427496.db2.gz HUEGXOJAFQYLTB-OAHLLOKOSA-N 2 1 294.443 0.391 20 30 CCEDMP C[C@@H](CNC(=[NH2+])Nc1ccccn1)C[NH+]1CCOCC1 ZINC000178564683 389610495 /nfs/dbraw/zinc/61/04/95/389610495.db2.gz SPXJRGIGQYLOEU-LBPRGKRZSA-N 2 1 277.372 0.777 20 30 CCEDMP OC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](CO)C2)C1 ZINC000351606154 389631164 /nfs/dbraw/zinc/63/11/64/389631164.db2.gz AYJXTFFGZXWIEV-IYBDPMFKSA-N 2 1 280.412 0.398 20 30 CCEDMP OC[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](CO)C2)C1 ZINC000351606154 389631167 /nfs/dbraw/zinc/63/11/67/389631167.db2.gz AYJXTFFGZXWIEV-IYBDPMFKSA-N 2 1 280.412 0.398 20 30 CCEDMP OC[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](CO)C2)C1 ZINC000351606154 389631172 /nfs/dbraw/zinc/63/11/72/389631172.db2.gz AYJXTFFGZXWIEV-IYBDPMFKSA-N 2 1 280.412 0.398 20 30 CCEDMP C=CCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374788344 389608018 /nfs/dbraw/zinc/60/80/18/389608018.db2.gz NUVZICFMZGMYEV-UHFFFAOYSA-N 2 1 254.374 0.722 20 30 CCEDMP C[C@@H](C#N)CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000182764257 389716279 /nfs/dbraw/zinc/71/62/79/389716279.db2.gz AEZXKUPLQMOERA-ZDUSSCGKSA-N 2 1 295.431 0.813 20 30 CCEDMP C[C@@H](C#N)CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000182764257 389716282 /nfs/dbraw/zinc/71/62/82/389716282.db2.gz AEZXKUPLQMOERA-ZDUSSCGKSA-N 2 1 295.431 0.813 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430600869 389811319 /nfs/dbraw/zinc/81/13/19/389811319.db2.gz YYPPXYSPGKUAMR-SNVBAGLBSA-N 2 1 270.377 0.303 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430600869 389811321 /nfs/dbraw/zinc/81/13/21/389811321.db2.gz YYPPXYSPGKUAMR-SNVBAGLBSA-N 2 1 270.377 0.303 20 30 CCEDMP CC[N@@H+](CC(=O)NC1(C#N)CC[NH+](C)CC1)C1CC1 ZINC000532762256 390884982 /nfs/dbraw/zinc/88/49/82/390884982.db2.gz JHTZJIZMFFSBGL-UHFFFAOYSA-N 2 1 264.373 0.575 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345416 412033352 /nfs/dbraw/zinc/03/33/52/412033352.db2.gz BHYAFSVFLPRRHF-IHRRRGAJSA-N 2 1 281.400 0.507 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346909 412033719 /nfs/dbraw/zinc/03/37/19/412033719.db2.gz LGPPFDPTKBADHJ-AJNGGQMLSA-N 2 1 295.427 0.895 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000490638641 261176831 /nfs/dbraw/zinc/17/68/31/261176831.db2.gz YZQZNFDOCZBTFV-ZDUSSCGKSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000490638641 261176832 /nfs/dbraw/zinc/17/68/32/261176832.db2.gz YZQZNFDOCZBTFV-ZDUSSCGKSA-N 2 1 263.385 0.494 20 30 CCEDMP C=C(C)CNC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000104175108 261289330 /nfs/dbraw/zinc/28/93/30/261289330.db2.gz QUOAVJFWVBXZLQ-UHFFFAOYSA-N 2 1 253.394 0.104 20 30 CCEDMP CC1(C)C[N@@H+](CC#CC[NH+]2C[C@@H](O)C(C)(C)C2)C[C@@H]1O ZINC000342181643 263394084 /nfs/dbraw/zinc/39/40/84/263394084.db2.gz ZWYZIDPGDPPLAJ-OKILXGFUSA-N 2 1 280.412 0.395 20 30 CCEDMP CC1(C)C[NH+](CC#CC[N@@H+]2C[C@@H](O)C(C)(C)C2)C[C@@H]1O ZINC000342181643 263394086 /nfs/dbraw/zinc/39/40/86/263394086.db2.gz ZWYZIDPGDPPLAJ-OKILXGFUSA-N 2 1 280.412 0.395 20 30 CCEDMP CC1(C)C[NH+](CC#CC[N@H+]2C[C@@H](O)C(C)(C)C2)C[C@@H]1O ZINC000342181643 263394088 /nfs/dbraw/zinc/39/40/88/263394088.db2.gz ZWYZIDPGDPPLAJ-OKILXGFUSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000362632912 267027180 /nfs/dbraw/zinc/02/71/80/267027180.db2.gz GYAFATGXAYFRPQ-ZIAGYGMSSA-N 2 1 280.416 0.878 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H](O)C1(C)C ZINC000262469443 330015374 /nfs/dbraw/zinc/01/53/74/330015374.db2.gz ZKPJDRBHIXCHRG-GRYCIOLGSA-N 2 1 268.405 0.534 20 30 CCEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262489290 330017185 /nfs/dbraw/zinc/01/71/85/330017185.db2.gz UIKNCOGIMNJJSR-KGLIPLIRSA-N 2 1 282.432 1.000 20 30 CCEDMP C[C@H]1CN(C(=[NH2+])NCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000262501536 330018115 /nfs/dbraw/zinc/01/81/15/330018115.db2.gz YPFBIHGHKQWUCN-STQMWFEESA-N 2 1 268.405 0.896 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CCC[C@@H]1C ZINC000263058254 330041294 /nfs/dbraw/zinc/04/12/94/330041294.db2.gz FFHLAUFTAWVYBB-GZBFAFLISA-N 2 1 282.432 0.926 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1=CCOCC1 ZINC000263135910 330045202 /nfs/dbraw/zinc/04/52/02/330045202.db2.gz NPFYSPDIIUEXJN-CYBMUJFWSA-N 2 1 266.389 0.722 20 30 CCEDMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424156144 330303705 /nfs/dbraw/zinc/30/37/05/330303705.db2.gz NQTNIWQVMRTRGV-RYUDHWBXSA-N 2 1 254.378 0.854 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000490897872 332126846 /nfs/dbraw/zinc/12/68/46/332126846.db2.gz GHGQNBRKSVXRPP-KGLIPLIRSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000491165103 332159518 /nfs/dbraw/zinc/15/95/18/332159518.db2.gz IPGQSMKMZSHJHO-PBWFPOADSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000491165103 332159520 /nfs/dbraw/zinc/15/95/20/332159520.db2.gz IPGQSMKMZSHJHO-PBWFPOADSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000491165103 332159521 /nfs/dbraw/zinc/15/95/21/332159521.db2.gz IPGQSMKMZSHJHO-PBWFPOADSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000491386857 332202508 /nfs/dbraw/zinc/20/25/08/332202508.db2.gz WLJNQFGAAJXZBJ-OKILXGFUSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000491430888 332210585 /nfs/dbraw/zinc/21/05/85/332210585.db2.gz ZMVWZCBULBLALK-UHFFFAOYSA-N 2 1 280.416 0.679 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000491681725 332284960 /nfs/dbraw/zinc/28/49/60/332284960.db2.gz ODVBAUDXWAUWLB-UHFFFAOYSA-N 2 1 252.362 0.073 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000491694591 332290403 /nfs/dbraw/zinc/29/04/03/332290403.db2.gz LKHUVRMMOWPHMG-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000491694591 332290406 /nfs/dbraw/zinc/29/04/06/332290406.db2.gz LKHUVRMMOWPHMG-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000491694591 332290408 /nfs/dbraw/zinc/29/04/08/332290408.db2.gz LKHUVRMMOWPHMG-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000491803421 332357442 /nfs/dbraw/zinc/35/74/42/332357442.db2.gz JDWYQRHHJWJRDF-UONOGXRCSA-N 2 1 280.416 0.568 20 30 CCEDMP N#CCNC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173948795 332986935 /nfs/dbraw/zinc/98/69/35/332986935.db2.gz KTCBLFNZUUFZKZ-UHFFFAOYSA-N 2 1 294.399 0.203 20 30 CCEDMP CN(CCC#N)C[C@H](O)CNCC1([NH+](C)C)CCCC1 ZINC000576028925 335143220 /nfs/dbraw/zinc/14/32/20/335143220.db2.gz DUXQCDDLGXILSK-CQSZACIVSA-N 2 1 282.432 0.657 20 30 CCEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081292750 334183972 /nfs/dbraw/zinc/18/39/72/334183972.db2.gz QAMFGSDSSDZERQ-ZDUSSCGKSA-N 2 1 282.388 0.011 20 30 CCEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081292750 334183970 /nfs/dbraw/zinc/18/39/70/334183970.db2.gz QAMFGSDSSDZERQ-ZDUSSCGKSA-N 2 1 282.388 0.011 20 30 CCEDMP COCC#CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000679318873 545406723 /nfs/dbraw/zinc/40/67/23/545406723.db2.gz IKYOIWPEHNARJX-UHFFFAOYSA-N 2 1 253.390 0.206 20 30 CCEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000783536919 581348949 /nfs/dbraw/zinc/34/89/49/581348949.db2.gz RQQVZWCDIDVVGF-OLZOCXBDSA-N 2 1 272.414 0.804 20 30 CCEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000783536919 581348951 /nfs/dbraw/zinc/34/89/51/581348951.db2.gz RQQVZWCDIDVVGF-OLZOCXBDSA-N 2 1 272.414 0.804 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000729920505 581620951 /nfs/dbraw/zinc/62/09/51/581620951.db2.gz GJZINULYIUHPMK-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000730278535 581689698 /nfs/dbraw/zinc/68/96/98/581689698.db2.gz SWZSRMVBDCPOJF-ZNMIVQPWSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000730278535 581689701 /nfs/dbraw/zinc/68/97/01/581689701.db2.gz SWZSRMVBDCPOJF-ZNMIVQPWSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000730278535 581689703 /nfs/dbraw/zinc/68/97/03/581689703.db2.gz SWZSRMVBDCPOJF-ZNMIVQPWSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000730278535 581689704 /nfs/dbraw/zinc/68/97/04/581689704.db2.gz SWZSRMVBDCPOJF-ZNMIVQPWSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000732061648 581800059 /nfs/dbraw/zinc/80/00/59/581800059.db2.gz IWRVBEWVNIMRRS-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP C[C@H]1CC(=NNC(=S)NCCC[NH+](C)C)C[N@@H+]1C ZINC000761810591 581921067 /nfs/dbraw/zinc/92/10/67/581921067.db2.gz SIOYERLDZBIWAF-JTQLQIEISA-N 2 1 271.434 0.482 20 30 CCEDMP C[C@H]1CC(=NNC(=S)NCCC[NH+](C)C)C[N@H+]1C ZINC000761810591 581921069 /nfs/dbraw/zinc/92/10/69/581921069.db2.gz SIOYERLDZBIWAF-JTQLQIEISA-N 2 1 271.434 0.482 20 30 CCEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000964378646 612955837 /nfs/dbraw/zinc/95/58/37/612955837.db2.gz QDNIFPMVIJJBCK-WLYUNCDWSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCOC12CCOCC2 ZINC000926489894 613079100 /nfs/dbraw/zinc/07/91/00/613079100.db2.gz LKJYSCNDFKMOFZ-CQSZACIVSA-N 2 1 266.385 0.869 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCOC12CCOCC2 ZINC000926489894 613079102 /nfs/dbraw/zinc/07/91/02/613079102.db2.gz LKJYSCNDFKMOFZ-CQSZACIVSA-N 2 1 266.385 0.869 20 30 CCEDMP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000981229586 612971947 /nfs/dbraw/zinc/97/19/47/612971947.db2.gz YVTZUTPPVFWIAD-UONOGXRCSA-N 2 1 274.368 0.842 20 30 CCEDMP C#CCCCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000853798330 612982045 /nfs/dbraw/zinc/98/20/45/612982045.db2.gz DHONMRHQXOPLBS-AWEZNQCLSA-N 2 1 282.432 0.971 20 30 CCEDMP C#CCCCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000853798330 612982047 /nfs/dbraw/zinc/98/20/47/612982047.db2.gz DHONMRHQXOPLBS-AWEZNQCLSA-N 2 1 282.432 0.971 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944919024 613026255 /nfs/dbraw/zinc/02/62/55/613026255.db2.gz MEDNIRPXSDMPPP-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[C@@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872213912 613030397 /nfs/dbraw/zinc/03/03/97/613030397.db2.gz HWVPZBKLPCNERI-DLBZAZTESA-N 2 1 288.391 0.597 20 30 CCEDMP C#CC[C@@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872213912 613030399 /nfs/dbraw/zinc/03/03/99/613030399.db2.gz HWVPZBKLPCNERI-DLBZAZTESA-N 2 1 288.391 0.597 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000960177035 613044321 /nfs/dbraw/zinc/04/43/21/613044321.db2.gz UZXHKEUOLUVGDZ-QXSJWSMHSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC000960177035 613044322 /nfs/dbraw/zinc/04/43/22/613044322.db2.gz UZXHKEUOLUVGDZ-QXSJWSMHSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC000960177035 613044323 /nfs/dbraw/zinc/04/43/23/613044323.db2.gz UZXHKEUOLUVGDZ-QXSJWSMHSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000962768978 613044388 /nfs/dbraw/zinc/04/43/88/613044388.db2.gz YEZQLKKVQKOWJT-QXSJWSMHSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC000962768978 613044389 /nfs/dbraw/zinc/04/43/89/613044389.db2.gz YEZQLKKVQKOWJT-QXSJWSMHSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC000962768978 613044390 /nfs/dbraw/zinc/04/43/90/613044390.db2.gz YEZQLKKVQKOWJT-QXSJWSMHSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000886575575 613069555 /nfs/dbraw/zinc/06/95/55/613069555.db2.gz ANNWRBYDSKWFED-ZDUSSCGKSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861633959 613076837 /nfs/dbraw/zinc/07/68/37/613076837.db2.gz ALTUWLXUIFOMGI-STQMWFEESA-N 2 1 266.389 0.381 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000894863742 613079003 /nfs/dbraw/zinc/07/90/03/613079003.db2.gz PEQVZZQUJJIZPS-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000894863742 613079005 /nfs/dbraw/zinc/07/90/05/613079005.db2.gz PEQVZZQUJJIZPS-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969951448 613116148 /nfs/dbraw/zinc/11/61/48/613116148.db2.gz ZSZWTIKNEJPUPJ-CQSZACIVSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000969677037 613124400 /nfs/dbraw/zinc/12/44/00/613124400.db2.gz MABNEAPKZWMQNF-WFASDCNBSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000920404210 613135452 /nfs/dbraw/zinc/13/54/52/613135452.db2.gz LUIMWIQILWSFCK-ZFWWWQNUSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000981210652 613155635 /nfs/dbraw/zinc/15/56/35/613155635.db2.gz SWBZRXICMZFVLW-HUUCEWRRSA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000981210652 613155636 /nfs/dbraw/zinc/15/56/36/613155636.db2.gz SWBZRXICMZFVLW-HUUCEWRRSA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981210652 613155637 /nfs/dbraw/zinc/15/56/37/613155637.db2.gz SWBZRXICMZFVLW-HUUCEWRRSA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981210652 613155638 /nfs/dbraw/zinc/15/56/38/613155638.db2.gz SWBZRXICMZFVLW-HUUCEWRRSA-N 2 1 291.395 0.017 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCC[C@@H]2C)C1 ZINC000896488327 613168892 /nfs/dbraw/zinc/16/88/92/613168892.db2.gz GZNAWJAKMVIYPY-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCC[C@@H]2C)C1 ZINC000896488327 613168894 /nfs/dbraw/zinc/16/88/94/613168894.db2.gz GZNAWJAKMVIYPY-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC[C@@H]2C)C1 ZINC000896488327 613168896 /nfs/dbraw/zinc/16/88/96/613168896.db2.gz GZNAWJAKMVIYPY-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC[C@@H]2C)C1 ZINC000896488327 613168897 /nfs/dbraw/zinc/16/88/97/613168897.db2.gz GZNAWJAKMVIYPY-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CC)C1 ZINC000884041056 613169307 /nfs/dbraw/zinc/16/93/07/613169307.db2.gz LBZPHCDLMMRPOS-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CC)C1 ZINC000884041056 613169308 /nfs/dbraw/zinc/16/93/08/613169308.db2.gz LBZPHCDLMMRPOS-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CC)C1 ZINC000884041056 613169309 /nfs/dbraw/zinc/16/93/09/613169309.db2.gz LBZPHCDLMMRPOS-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CC)C1 ZINC000884041056 613169310 /nfs/dbraw/zinc/16/93/10/613169310.db2.gz LBZPHCDLMMRPOS-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000924034197 613188487 /nfs/dbraw/zinc/18/84/87/613188487.db2.gz BJSDSSGJVQRYTG-IHRRRGAJSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)C1 ZINC000924034197 613188489 /nfs/dbraw/zinc/18/84/89/613188489.db2.gz BJSDSSGJVQRYTG-IHRRRGAJSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@H]2C)C1 ZINC000924034197 613188490 /nfs/dbraw/zinc/18/84/90/613188490.db2.gz BJSDSSGJVQRYTG-IHRRRGAJSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@H]2C)C1 ZINC000924034197 613188493 /nfs/dbraw/zinc/18/84/93/613188493.db2.gz BJSDSSGJVQRYTG-IHRRRGAJSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000854654242 613196981 /nfs/dbraw/zinc/19/69/81/613196981.db2.gz KGHGVKLSGXIGPT-RDBSUJKOSA-N 2 1 263.385 0.635 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000854654242 613196984 /nfs/dbraw/zinc/19/69/84/613196984.db2.gz KGHGVKLSGXIGPT-RDBSUJKOSA-N 2 1 263.385 0.635 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000862791236 613199347 /nfs/dbraw/zinc/19/93/47/613199347.db2.gz CWDWTUDESQAUBO-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000862791236 613199348 /nfs/dbraw/zinc/19/93/48/613199348.db2.gz CWDWTUDESQAUBO-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000862791236 613199350 /nfs/dbraw/zinc/19/93/50/613199350.db2.gz CWDWTUDESQAUBO-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000862791236 613199351 /nfs/dbraw/zinc/19/93/51/613199351.db2.gz CWDWTUDESQAUBO-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000811602154 613200549 /nfs/dbraw/zinc/20/05/49/613200549.db2.gz WIMFQOPZPVYOFA-KBPBESRZSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000811602154 613200550 /nfs/dbraw/zinc/20/05/50/613200550.db2.gz WIMFQOPZPVYOFA-KBPBESRZSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC000811602154 613200552 /nfs/dbraw/zinc/20/05/52/613200552.db2.gz WIMFQOPZPVYOFA-KBPBESRZSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC000811602154 613200553 /nfs/dbraw/zinc/20/05/53/613200553.db2.gz WIMFQOPZPVYOFA-KBPBESRZSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC)C1 ZINC000969865188 613201839 /nfs/dbraw/zinc/20/18/39/613201839.db2.gz LPLJSDMWNJWBRS-OCCSQVGLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC)C1 ZINC000969865188 613201843 /nfs/dbraw/zinc/20/18/43/613201843.db2.gz LPLJSDMWNJWBRS-OCCSQVGLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944151529 613256887 /nfs/dbraw/zinc/25/68/87/613256887.db2.gz ABPHDYFEEUTISA-KBPBESRZSA-N 2 1 275.396 0.542 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC000905098615 613304668 /nfs/dbraw/zinc/30/46/68/613304668.db2.gz UJXQCYDKAVRQPN-CQSZACIVSA-N 2 1 268.401 0.892 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980244717 613306898 /nfs/dbraw/zinc/30/68/98/613306898.db2.gz YNVADYXVBOXRDY-ARFHVFGLSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978624876 613309286 /nfs/dbraw/zinc/30/92/86/613309286.db2.gz BQOUJWPEYPLHPI-UVPYHEFZSA-N 2 1 289.423 0.644 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978624876 613309287 /nfs/dbraw/zinc/30/92/87/613309287.db2.gz BQOUJWPEYPLHPI-UVPYHEFZSA-N 2 1 289.423 0.644 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978624876 613309288 /nfs/dbraw/zinc/30/92/88/613309288.db2.gz BQOUJWPEYPLHPI-UVPYHEFZSA-N 2 1 289.423 0.644 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000962279214 613313622 /nfs/dbraw/zinc/31/36/22/613313622.db2.gz IEONWAYAESNPAT-RMRHIDDWSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000962279214 613313624 /nfs/dbraw/zinc/31/36/24/613313624.db2.gz IEONWAYAESNPAT-RMRHIDDWSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000962279214 613313625 /nfs/dbraw/zinc/31/36/25/613313625.db2.gz IEONWAYAESNPAT-RMRHIDDWSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000961606831 613315890 /nfs/dbraw/zinc/31/58/90/613315890.db2.gz KMAFZEQRKNQARP-OJLVUWQFSA-N 2 1 298.390 0.434 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000961606831 613315892 /nfs/dbraw/zinc/31/58/92/613315892.db2.gz KMAFZEQRKNQARP-OJLVUWQFSA-N 2 1 298.390 0.434 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000962659336 613344990 /nfs/dbraw/zinc/34/49/90/613344990.db2.gz BHEAYXRAFFDVDP-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000962659336 613344991 /nfs/dbraw/zinc/34/49/91/613344991.db2.gz BHEAYXRAFFDVDP-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962659336 613344992 /nfs/dbraw/zinc/34/49/92/613344992.db2.gz BHEAYXRAFFDVDP-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962659336 613344993 /nfs/dbraw/zinc/34/49/93/613344993.db2.gz BHEAYXRAFFDVDP-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000969704534 613348587 /nfs/dbraw/zinc/34/85/87/613348587.db2.gz AMIZTJNYKXSURU-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000969704534 613348588 /nfs/dbraw/zinc/34/85/88/613348588.db2.gz AMIZTJNYKXSURU-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000910927522 613364432 /nfs/dbraw/zinc/36/44/32/613364432.db2.gz ALAQOAAELHPEAI-KGLIPLIRSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000854641853 613366062 /nfs/dbraw/zinc/36/60/62/613366062.db2.gz GBTLXCMFPZSRMW-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848294846 613366567 /nfs/dbraw/zinc/36/65/67/613366567.db2.gz HWKIGAGVMKFSNS-MCIONIFRSA-N 2 1 283.416 0.718 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848294846 613366568 /nfs/dbraw/zinc/36/65/68/613366568.db2.gz HWKIGAGVMKFSNS-MCIONIFRSA-N 2 1 283.416 0.718 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000876891301 613389991 /nfs/dbraw/zinc/38/99/91/613389991.db2.gz VIEGGZQVPZBNLG-NSHDSACASA-N 2 1 275.780 0.295 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000876891301 613389992 /nfs/dbraw/zinc/38/99/92/613389992.db2.gz VIEGGZQVPZBNLG-NSHDSACASA-N 2 1 275.780 0.295 20 30 CCEDMP C=CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000950510232 613508469 /nfs/dbraw/zinc/50/84/69/613508469.db2.gz OFMAIUSRUDOVKL-KGLIPLIRSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000962659909 613565113 /nfs/dbraw/zinc/56/51/13/613565113.db2.gz BIXTWVSBNCNEOF-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000962659909 613565117 /nfs/dbraw/zinc/56/51/17/613565117.db2.gz BIXTWVSBNCNEOF-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962659909 613565121 /nfs/dbraw/zinc/56/51/21/613565121.db2.gz BIXTWVSBNCNEOF-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962659909 613565122 /nfs/dbraw/zinc/56/51/22/613565122.db2.gz BIXTWVSBNCNEOF-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC000962144028 613633308 /nfs/dbraw/zinc/63/33/08/613633308.db2.gz VUIXSOOKFBVUCL-QLPKVWCKSA-N 2 1 289.423 0.788 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC000905096266 613675892 /nfs/dbraw/zinc/67/58/92/613675892.db2.gz LKBSOOSXPLYRMV-CYBMUJFWSA-N 2 1 254.374 0.502 20 30 CCEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000968797491 613683044 /nfs/dbraw/zinc/68/30/44/613683044.db2.gz YCZXRWMPMYMTSM-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000968797491 613683045 /nfs/dbraw/zinc/68/30/45/613683045.db2.gz YCZXRWMPMYMTSM-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968797491 613683046 /nfs/dbraw/zinc/68/30/46/613683046.db2.gz YCZXRWMPMYMTSM-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968797491 613683047 /nfs/dbraw/zinc/68/30/47/613683047.db2.gz YCZXRWMPMYMTSM-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269170 613705081 /nfs/dbraw/zinc/70/50/81/613705081.db2.gz KKDNFCGOTNCZRZ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269170 613705083 /nfs/dbraw/zinc/70/50/83/613705083.db2.gz KKDNFCGOTNCZRZ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000948269170 613705085 /nfs/dbraw/zinc/70/50/85/613705085.db2.gz KKDNFCGOTNCZRZ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269170 613705086 /nfs/dbraw/zinc/70/50/86/613705086.db2.gz KKDNFCGOTNCZRZ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864708 615112857 /nfs/dbraw/zinc/11/28/57/615112857.db2.gz FKIZQEJZJIVRHX-OAHLLOKOSA-N 2 1 277.412 0.980 20 30 CCEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000104172416 615270770 /nfs/dbraw/zinc/27/07/70/615270770.db2.gz DFLFMUUEZOCBAC-LLVKDONJSA-N 2 1 256.419 0.692 20 30 CCEDMP CC[C@@H]1[C@@H](C(=O)NCC#CC[NH+](C)C)CC[N@H+]1C ZINC000913523608 615584769 /nfs/dbraw/zinc/58/47/69/615584769.db2.gz GOSSJRHKLAOKGQ-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP CN(C)CC[N@H+](C)CCCNC1=[NH+]CCCN1C ZINC000849028191 615891994 /nfs/dbraw/zinc/89/19/94/615891994.db2.gz IJMMCVSKOLYBKO-UHFFFAOYSA-N 2 1 255.410 0.151 20 30 CCEDMP CN(C)CC[N@@H+](C)CCCNC1=[NH+]CCCN1C ZINC000849028191 615891995 /nfs/dbraw/zinc/89/19/95/615891995.db2.gz IJMMCVSKOLYBKO-UHFFFAOYSA-N 2 1 255.410 0.151 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[N@H+]1CCC12CC[NH+](C)CC2 ZINC000899909643 616176915 /nfs/dbraw/zinc/17/69/15/616176915.db2.gz FZWQKKFOQUORNW-AWEZNQCLSA-N 2 1 280.416 0.363 20 30 CCEDMP C[N@H+]1CCC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884197667 616206755 /nfs/dbraw/zinc/20/67/55/616206755.db2.gz ARRHKVMYFAQMEZ-ICRTXTNUSA-N 2 1 276.384 0.336 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+]CC#Cc2ccccc2)CC1 ZINC000892926993 616222597 /nfs/dbraw/zinc/22/25/97/616222597.db2.gz PFKXOAJJNYDRPR-UHFFFAOYSA-N 2 1 285.391 0.792 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001026315831 625396394 /nfs/dbraw/zinc/39/63/94/625396394.db2.gz UBYKEEUHGMACQV-RRFJBIMHSA-N 2 1 286.379 0.651 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001022836952 622789088 /nfs/dbraw/zinc/78/90/88/622789088.db2.gz GZTSTCXVFXRTMH-XGUBFFRZSA-N 2 1 275.396 0.873 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC(=O)N(C)C ZINC000170910267 623813391 /nfs/dbraw/zinc/81/33/91/623813391.db2.gz UXNQMESYGIPGLY-GFCCVEGCSA-N 2 1 283.420 0.243 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598214 623842348 /nfs/dbraw/zinc/84/23/48/623842348.db2.gz WHNDEUWITHGAKV-CABCVRRESA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C1=O ZINC000261951908 624882049 /nfs/dbraw/zinc/88/20/49/624882049.db2.gz OBMKEIUNAUOVKR-ZDUSSCGKSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001022341478 624931704 /nfs/dbraw/zinc/93/17/04/624931704.db2.gz BOISMUJZROGAEA-PHIMTYICSA-N 2 1 278.356 0.773 20 30 CCEDMP C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261933328 631706635 /nfs/dbraw/zinc/70/66/35/631706635.db2.gz BWCMIMVHSBCFIS-LLVKDONJSA-N 2 1 291.403 0.025 20 30 CCEDMP C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261933328 631706643 /nfs/dbraw/zinc/70/66/43/631706643.db2.gz BWCMIMVHSBCFIS-LLVKDONJSA-N 2 1 291.403 0.025 20 30 CCEDMP C[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261979797 631741669 /nfs/dbraw/zinc/74/16/69/631741669.db2.gz OQKSXNIMQGRBDO-IACUBPJLSA-N 2 1 296.415 0.050 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000985648031 632607902 /nfs/dbraw/zinc/60/79/02/632607902.db2.gz TWVMUENYGYHEJZ-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000985648031 632607912 /nfs/dbraw/zinc/60/79/12/632607912.db2.gz TWVMUENYGYHEJZ-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC000986567106 632772984 /nfs/dbraw/zinc/77/29/84/632772984.db2.gz PVBOGHBJWURVKU-QWHCGFSZSA-N 2 1 262.357 0.957 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000158093666 636999826 /nfs/dbraw/zinc/99/98/26/636999826.db2.gz SAXPUPBSGVWYDG-ZFWWWQNUSA-N 2 1 280.416 0.626 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000170908622 637103439 /nfs/dbraw/zinc/10/34/39/637103439.db2.gz HSTAYAHJJQKCPN-AWEZNQCLSA-N 3 1 281.448 0.861 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995920202 638804550 /nfs/dbraw/zinc/80/45/50/638804550.db2.gz TXQOZUAKIJBEBE-AWEZNQCLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000996612551 638824637 /nfs/dbraw/zinc/82/46/37/638824637.db2.gz UNDCHJOLIFXIED-LSDHHAIUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014471422 650455081 /nfs/dbraw/zinc/45/50/81/650455081.db2.gz WALAGSKWZXITIK-ZIAGYGMSSA-N 2 1 261.369 0.152 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014471422 650455084 /nfs/dbraw/zinc/45/50/84/650455084.db2.gz WALAGSKWZXITIK-ZIAGYGMSSA-N 2 1 261.369 0.152 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000458769 639091463 /nfs/dbraw/zinc/09/14/63/639091463.db2.gz BVJJGENJCLCPER-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC#C)CC1 ZINC001001491463 639307505 /nfs/dbraw/zinc/30/75/05/639307505.db2.gz GCVPCRRJRKPIES-INIZCTEOSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC#C)CC1 ZINC001001491463 639307511 /nfs/dbraw/zinc/30/75/11/639307511.db2.gz GCVPCRRJRKPIES-INIZCTEOSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001005990962 640059896 /nfs/dbraw/zinc/05/98/96/640059896.db2.gz KXZBOEINJXINID-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016251536 650705708 /nfs/dbraw/zinc/70/57/08/650705708.db2.gz VPXQOMOGPZVPFY-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016251536 650705711 /nfs/dbraw/zinc/70/57/11/650705711.db2.gz VPXQOMOGPZVPFY-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016251536 650705712 /nfs/dbraw/zinc/70/57/12/650705712.db2.gz VPXQOMOGPZVPFY-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000831971312 642423517 /nfs/dbraw/zinc/42/35/17/642423517.db2.gz VFJAXYZLGSDJAH-NEPJUHHUSA-N 2 1 252.362 0.608 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016631674 650750678 /nfs/dbraw/zinc/75/06/78/650750678.db2.gz ABRSMAOCQJOAKG-RBSFLKMASA-N 2 1 289.423 0.931 20 30 CCEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000848424728 643636155 /nfs/dbraw/zinc/63/61/55/643636155.db2.gz GPQUPXBMIVPKRE-ZJUUUORDSA-N 2 1 274.315 0.463 20 30 CCEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852885012 644042212 /nfs/dbraw/zinc/04/22/12/644042212.db2.gz RLNGLYVGYKUJJU-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001018971839 650925574 /nfs/dbraw/zinc/92/55/74/650925574.db2.gz WKGNPJIBBIRGAL-LBPRGKRZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001018964523 650926219 /nfs/dbraw/zinc/92/62/19/650926219.db2.gz FNYIFJBEWHDRGT-UONOGXRCSA-N 2 1 291.399 0.190 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000104172557 648204742 /nfs/dbraw/zinc/20/47/42/648204742.db2.gz CQEMSSBZEZGGJA-GHMZBOCLSA-N 2 1 254.378 0.410 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+](C)C ZINC000303708992 649824046 /nfs/dbraw/zinc/82/40/46/649824046.db2.gz NLXQTHZBYZVHTE-GFCCVEGCSA-N 3 1 255.410 0.327 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000303990940 649827908 /nfs/dbraw/zinc/82/79/08/649827908.db2.gz ZCCKBDAYPOQZLJ-NSHDSACASA-N 2 1 256.394 0.800 20 30 CCEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)C ZINC000303983672 649828074 /nfs/dbraw/zinc/82/80/74/649828074.db2.gz RLHNRYFGQCPTCK-LBPRGKRZSA-N 2 1 256.394 0.658 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(N)=O)o1 ZINC000304526110 649836590 /nfs/dbraw/zinc/83/65/90/649836590.db2.gz ZMTFXRXZLSCLDF-JTQLQIEISA-N 2 1 293.371 0.267 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230141995 805583745 /nfs/dbraw/zinc/58/37/45/805583745.db2.gz ZDOIIPQUWHGTLY-RRFJBIMHSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001266437810 790702774 /nfs/dbraw/zinc/70/27/74/790702774.db2.gz MRQNVVKJOHJBGJ-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP C#CC[NH2+][C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001277561742 805849026 /nfs/dbraw/zinc/84/90/26/805849026.db2.gz CDEFRFCZBXRMAS-ZIAGYGMSSA-N 2 1 281.400 0.071 20 30 CCEDMP C#CC[NH2+][C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001277561742 805849034 /nfs/dbraw/zinc/84/90/34/805849034.db2.gz CDEFRFCZBXRMAS-ZIAGYGMSSA-N 2 1 281.400 0.071 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001267233044 791713765 /nfs/dbraw/zinc/71/37/65/791713765.db2.gz PDWQWTKBGMSISL-CQSZACIVSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001267233044 791713769 /nfs/dbraw/zinc/71/37/69/791713769.db2.gz PDWQWTKBGMSISL-CQSZACIVSA-N 2 1 265.401 0.788 20 30 CCEDMP COCC#CC[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001267232880 791716239 /nfs/dbraw/zinc/71/62/39/791716239.db2.gz OETIWOYIZFZLQN-UHFFFAOYSA-N 2 1 269.389 0.024 20 30 CCEDMP COCC#CC[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001267232880 791716242 /nfs/dbraw/zinc/71/62/42/791716242.db2.gz OETIWOYIZFZLQN-UHFFFAOYSA-N 2 1 269.389 0.024 20 30 CCEDMP COCC#CC[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001267232880 791716244 /nfs/dbraw/zinc/71/62/44/791716244.db2.gz OETIWOYIZFZLQN-UHFFFAOYSA-N 2 1 269.389 0.024 20 30 CCEDMP N#Cc1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(F)cc1F ZINC001234986929 806330099 /nfs/dbraw/zinc/33/00/99/806330099.db2.gz CTWIGNPFMZGHTC-OAHLLOKOSA-N 2 1 292.333 0.974 20 30 CCEDMP N#Cc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)s1 ZINC001234990990 806337562 /nfs/dbraw/zinc/33/75/62/806337562.db2.gz OUSBKXGXJREHAA-ZDUSSCGKSA-N 2 1 262.382 0.757 20 30 CCEDMP N#Cc1cc(F)ccc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234992350 806338213 /nfs/dbraw/zinc/33/82/13/806338213.db2.gz YUQBGIYXUONGQU-HNNXBMFYSA-N 2 1 274.343 0.835 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240061 800324666 /nfs/dbraw/zinc/32/46/66/800324666.db2.gz AXMFEJJHTATLSY-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)O ZINC001153864463 800680304 /nfs/dbraw/zinc/68/03/04/800680304.db2.gz UIDQARWKHWRRCH-ILXRZTDVSA-N 2 1 295.427 0.291 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](C)O ZINC001153864463 800680308 /nfs/dbraw/zinc/68/03/08/800680308.db2.gz UIDQARWKHWRRCH-ILXRZTDVSA-N 2 1 295.427 0.291 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@H](C)O ZINC001153864463 800680310 /nfs/dbraw/zinc/68/03/10/800680310.db2.gz UIDQARWKHWRRCH-ILXRZTDVSA-N 2 1 295.427 0.291 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@H](C)O ZINC001153864463 800680312 /nfs/dbraw/zinc/68/03/12/800680312.db2.gz UIDQARWKHWRRCH-ILXRZTDVSA-N 2 1 295.427 0.291 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001156901617 801259730 /nfs/dbraw/zinc/25/97/30/801259730.db2.gz QBKTYNLOMDOPGL-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001159869165 801884132 /nfs/dbraw/zinc/88/41/32/801884132.db2.gz UMDWJAJAKBVKGR-HNNXBMFYSA-N 2 1 295.427 0.912 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCC1 ZINC001280493913 810025890 /nfs/dbraw/zinc/02/58/90/810025890.db2.gz YVTYBWWEUUYVBJ-UHFFFAOYSA-N 2 1 274.368 0.843 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166626951 802926570 /nfs/dbraw/zinc/92/65/70/802926570.db2.gz MZJAMYXXFBGZCK-CQSZACIVSA-N 2 1 281.400 0.216 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166690416 802938857 /nfs/dbraw/zinc/93/88/57/802938857.db2.gz ABSSRTMERNRSKF-QWHCGFSZSA-N 2 1 251.374 0.303 20 30 CCEDMP N#Cc1ccnc(NC(=[NH2+])NCCCC[NH3+])c1[N+](=O)[O-] ZINC001167880236 812391176 /nfs/dbraw/zinc/39/11/76/812391176.db2.gz CPQMQWMXVXZWPQ-UHFFFAOYSA-N 2 1 277.288 0.537 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203698885 803041138 /nfs/dbraw/zinc/04/11/38/803041138.db2.gz CRPHMFYEJZQSDG-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)nc1 ZINC001205228584 803127732 /nfs/dbraw/zinc/12/77/32/803127732.db2.gz GGXMXRSNZUBGDM-CQSZACIVSA-N 2 1 260.341 0.629 20 30 CCEDMP N#Cc1ccn2ncc(C[N@@H+]3CCC[C@](O)(C[NH3+])CC3)c2c1 ZINC001205257212 803131886 /nfs/dbraw/zinc/13/18/86/803131886.db2.gz UBKPBRDLXCSOFB-MRXNPFEDSA-N 2 1 299.378 0.882 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001276641329 803605706 /nfs/dbraw/zinc/60/57/06/803605706.db2.gz LNIHKNGEKSPXJF-HUUCEWRRSA-N 2 1 293.411 0.215 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346217 803691353 /nfs/dbraw/zinc/69/13/53/803691353.db2.gz CNOREKCXGYEHRC-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378486 803692377 /nfs/dbraw/zinc/69/23/77/803692377.db2.gz SNOPJGYJSZUDDT-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213755797 803702830 /nfs/dbraw/zinc/70/28/30/803702830.db2.gz HUUHFDOQORVARF-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213755797 803702832 /nfs/dbraw/zinc/70/28/32/803702832.db2.gz HUUHFDOQORVARF-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213755797 803702835 /nfs/dbraw/zinc/70/28/35/803702835.db2.gz HUUHFDOQORVARF-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213755797 803702838 /nfs/dbraw/zinc/70/28/38/803702838.db2.gz HUUHFDOQORVARF-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001272091189 814967548 /nfs/dbraw/zinc/96/75/48/814967548.db2.gz PHKMSOQOMSGINU-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001272091189 814967551 /nfs/dbraw/zinc/96/75/51/814967551.db2.gz PHKMSOQOMSGINU-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001272091189 814967556 /nfs/dbraw/zinc/96/75/56/814967556.db2.gz PHKMSOQOMSGINU-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345281 804580624 /nfs/dbraw/zinc/58/06/24/804580624.db2.gz ULIAKXRGGOJWQN-KFWWJZLASA-N 2 1 295.427 0.291 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345281 804580629 /nfs/dbraw/zinc/58/06/29/804580629.db2.gz ULIAKXRGGOJWQN-KFWWJZLASA-N 2 1 295.427 0.291 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791251 804845125 /nfs/dbraw/zinc/84/51/25/804845125.db2.gz CSWZFPQSASPEIH-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950520 804853098 /nfs/dbraw/zinc/85/30/98/804853098.db2.gz MBGSNSMZLLDRFD-HUUCEWRRSA-N 2 1 293.411 0.121 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950520 804853107 /nfs/dbraw/zinc/85/31/07/804853107.db2.gz MBGSNSMZLLDRFD-HUUCEWRRSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100980985 815041888 /nfs/dbraw/zinc/04/18/88/815041888.db2.gz PNLZVECUUBXJEW-SLTAFYQDSA-N 2 1 293.411 0.072 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001276908224 804982069 /nfs/dbraw/zinc/98/20/69/804982069.db2.gz DSRBWOIMSIMGQH-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001276923316 804994199 /nfs/dbraw/zinc/99/41/99/804994199.db2.gz HVCVNGDSOBKANO-UONOGXRCSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001276923316 804994206 /nfs/dbraw/zinc/99/42/06/804994206.db2.gz HVCVNGDSOBKANO-UONOGXRCSA-N 2 1 265.401 0.786 20 30 CCEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001277092526 805187159 /nfs/dbraw/zinc/18/71/59/805187159.db2.gz FSKWYDZFZHHUGI-JOCQHMNTSA-N 2 1 253.390 0.997 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001075940425 815066420 /nfs/dbraw/zinc/06/64/20/815066420.db2.gz ORRULOXMNXGVMG-RRFJBIMHSA-N 2 1 277.412 0.883 20 30 CCEDMP COCC#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001277253143 805401282 /nfs/dbraw/zinc/40/12/82/805401282.db2.gz XQGPDCAFLZXXIQ-UHFFFAOYSA-N 2 1 290.367 0.080 20 30 CCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)Cc2cncn2C)C1 ZINC001278438886 807199031 /nfs/dbraw/zinc/19/90/31/807199031.db2.gz YIFJOVXMMHWHPT-AWEZNQCLSA-N 2 1 262.357 0.729 20 30 CCEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001278443671 807236711 /nfs/dbraw/zinc/23/67/11/807236711.db2.gz FXKAMODQJOJIFM-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001278443671 807236719 /nfs/dbraw/zinc/23/67/19/807236719.db2.gz FXKAMODQJOJIFM-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C[C@@H]1CC[N@H+]([C@@H]2CCN[C@H](C#N)C2)CC[C@H]1C[NH3+] ZINC001246558636 807288588 /nfs/dbraw/zinc/28/85/88/807288588.db2.gz NOKGMNSBYCRBPL-ZOBORPQBSA-N 2 1 250.390 0.937 20 30 CCEDMP C[C@H](CCCC#N)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246818680 807392913 /nfs/dbraw/zinc/39/29/13/807392913.db2.gz DAAMFZQQOMMIOE-CQSZACIVSA-N 2 1 267.421 0.153 20 30 CCEDMP C#CC[C@@H]([NH3+])c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247609364 807469619 /nfs/dbraw/zinc/46/96/19/807469619.db2.gz GPTSQNFNKIUGKC-SNVBAGLBSA-N 2 1 269.308 0.800 20 30 CCEDMP C#CCOC[C@@H](O)CN1CCC([N@@H+](C)C2CC2)CC1 ZINC001251855038 807722991 /nfs/dbraw/zinc/72/29/91/807722991.db2.gz QZMPGKCELOKNTI-HNNXBMFYSA-N 2 1 266.385 0.556 20 30 CCEDMP C=C[C@@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001253581556 808087086 /nfs/dbraw/zinc/08/70/86/808087086.db2.gz IZAQHCLFURJTBI-HZSPNIEDSA-N 2 1 253.390 0.244 20 30 CCEDMP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001278737969 808126921 /nfs/dbraw/zinc/12/69/21/808126921.db2.gz XJRBBMXOKKSJBW-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CCN1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524232 815210540 /nfs/dbraw/zinc/21/05/40/815210540.db2.gz MYWQIYPIQXTXPU-ZNMIVQPWSA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524232 815210543 /nfs/dbraw/zinc/21/05/43/815210543.db2.gz MYWQIYPIQXTXPU-ZNMIVQPWSA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524232 815210547 /nfs/dbraw/zinc/21/05/47/815210547.db2.gz MYWQIYPIQXTXPU-ZNMIVQPWSA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524232 815210552 /nfs/dbraw/zinc/21/05/52/815210552.db2.gz MYWQIYPIQXTXPU-ZNMIVQPWSA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524232 815210555 /nfs/dbraw/zinc/21/05/55/815210555.db2.gz MYWQIYPIQXTXPU-ZNMIVQPWSA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001264538854 809662281 /nfs/dbraw/zinc/66/22/81/809662281.db2.gz NCHSZAUDCQKVTJ-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CC)CC1 ZINC001265073333 809702704 /nfs/dbraw/zinc/70/27/04/809702704.db2.gz XIKBYUVKQSESQE-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076569117 815311312 /nfs/dbraw/zinc/31/13/12/815311312.db2.gz KDSZDEPPNVQFTD-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076569117 815311316 /nfs/dbraw/zinc/31/13/16/815311316.db2.gz KDSZDEPPNVQFTD-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076569117 815311319 /nfs/dbraw/zinc/31/13/19/815311319.db2.gz KDSZDEPPNVQFTD-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C=CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001265254281 809732467 /nfs/dbraw/zinc/73/24/67/809732467.db2.gz FVJIEZYIRVUUGW-HNNXBMFYSA-N 2 1 294.443 0.248 20 30 CCEDMP C=CC[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001265254281 809732472 /nfs/dbraw/zinc/73/24/72/809732472.db2.gz FVJIEZYIRVUUGW-HNNXBMFYSA-N 2 1 294.443 0.248 20 30 CCEDMP C=CC[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001265254281 809732477 /nfs/dbraw/zinc/73/24/77/809732477.db2.gz FVJIEZYIRVUUGW-HNNXBMFYSA-N 2 1 294.443 0.248 20 30 CCEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265561676 809805232 /nfs/dbraw/zinc/80/52/32/809805232.db2.gz FTKCLZONDFFONW-GASCZTMLSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001265655166 809820228 /nfs/dbraw/zinc/82/02/28/809820228.db2.gz BCKNVRJOIJKABN-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001265655166 809820235 /nfs/dbraw/zinc/82/02/35/809820235.db2.gz BCKNVRJOIJKABN-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001265655166 809820239 /nfs/dbraw/zinc/82/02/39/809820239.db2.gz BCKNVRJOIJKABN-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[NH2+][C@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001266160284 809951858 /nfs/dbraw/zinc/95/18/58/809951858.db2.gz DFHKMXXQXYYWBU-GFCCVEGCSA-N 2 1 262.357 0.699 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001279520507 809985897 /nfs/dbraw/zinc/98/58/97/809985897.db2.gz XYXWISNCNMLVSZ-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001279520507 809985900 /nfs/dbraw/zinc/98/59/00/809985900.db2.gz XYXWISNCNMLVSZ-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001279520507 809985895 /nfs/dbraw/zinc/98/58/95/809985895.db2.gz XYXWISNCNMLVSZ-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001038263853 811092070 /nfs/dbraw/zinc/09/20/70/811092070.db2.gz AIUGSRJGRWLJAS-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038263853 811092078 /nfs/dbraw/zinc/09/20/78/811092078.db2.gz AIUGSRJGRWLJAS-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038263853 811092086 /nfs/dbraw/zinc/09/20/86/811092086.db2.gz AIUGSRJGRWLJAS-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267282733 811092475 /nfs/dbraw/zinc/09/24/75/811092475.db2.gz SSDMFSLTDOJVKO-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267282733 811092483 /nfs/dbraw/zinc/09/24/83/811092483.db2.gz SSDMFSLTDOJVKO-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267282733 811092492 /nfs/dbraw/zinc/09/24/92/811092492.db2.gz SSDMFSLTDOJVKO-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267307202 811128684 /nfs/dbraw/zinc/12/86/84/811128684.db2.gz NSIXJKHNBIMZNC-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001076985844 815429291 /nfs/dbraw/zinc/42/92/91/815429291.db2.gz AJQIYPVBSADFAN-QLFBSQMISA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076985844 815429292 /nfs/dbraw/zinc/42/92/92/815429292.db2.gz AJQIYPVBSADFAN-QLFBSQMISA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001076985844 815429296 /nfs/dbraw/zinc/42/92/96/815429296.db2.gz AJQIYPVBSADFAN-QLFBSQMISA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001076985844 815429300 /nfs/dbraw/zinc/42/93/00/815429300.db2.gz AJQIYPVBSADFAN-QLFBSQMISA-N 2 1 295.427 0.597 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001268007573 811945944 /nfs/dbraw/zinc/94/59/44/811945944.db2.gz XXFFHXUHKIQALQ-AWEZNQCLSA-N 2 1 281.400 0.074 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001100873147 812089773 /nfs/dbraw/zinc/08/97/73/812089773.db2.gz WEAPASRBNCMKFQ-WLYUNCDWSA-N 2 1 277.412 0.836 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001268099503 812258949 /nfs/dbraw/zinc/25/89/49/812258949.db2.gz FCKYJIIGCGHZIK-CYBMUJFWSA-N 2 1 292.383 0.278 20 30 CCEDMP C#CCN1CC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038863865 812266425 /nfs/dbraw/zinc/26/64/25/812266425.db2.gz FCJDIRBJOFVTGC-OAHLLOKOSA-N 2 1 295.346 0.705 20 30 CCEDMP CC#CC[NH2+]CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268399490 812545587 /nfs/dbraw/zinc/54/55/87/812545587.db2.gz HRVRAXNQVPJJQL-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001028329400 812623079 /nfs/dbraw/zinc/62/30/79/812623079.db2.gz LGMZQGHCTWMRHB-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001028329400 812623085 /nfs/dbraw/zinc/62/30/85/812623085.db2.gz LGMZQGHCTWMRHB-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329400 812623093 /nfs/dbraw/zinc/62/30/93/812623093.db2.gz LGMZQGHCTWMRHB-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329400 812623097 /nfs/dbraw/zinc/62/30/97/812623097.db2.gz LGMZQGHCTWMRHB-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268541466 812782755 /nfs/dbraw/zinc/78/27/55/812782755.db2.gz FBEXQEGVDSCXOU-JLVOYYQZSA-N 2 1 263.385 0.612 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001269155681 813243713 /nfs/dbraw/zinc/24/37/13/813243713.db2.gz BAGPSPGHEVTLKR-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(CC#CCOC)C1 ZINC001269288310 813307706 /nfs/dbraw/zinc/30/77/06/813307706.db2.gz UATGQGYEQMNNIB-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001269288310 813307709 /nfs/dbraw/zinc/30/77/09/813307709.db2.gz UATGQGYEQMNNIB-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001269288310 813307715 /nfs/dbraw/zinc/30/77/15/813307715.db2.gz UATGQGYEQMNNIB-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001269288310 813307721 /nfs/dbraw/zinc/30/77/21/813307721.db2.gz UATGQGYEQMNNIB-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001269288310 813307727 /nfs/dbraw/zinc/30/77/27/813307727.db2.gz UATGQGYEQMNNIB-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001269745182 813487699 /nfs/dbraw/zinc/48/76/99/813487699.db2.gz MNHVSJBLOKSHCQ-INIZCTEOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001269745182 813487704 /nfs/dbraw/zinc/48/77/04/813487704.db2.gz MNHVSJBLOKSHCQ-INIZCTEOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001269745182 813487707 /nfs/dbraw/zinc/48/77/07/813487707.db2.gz MNHVSJBLOKSHCQ-INIZCTEOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028778720 813490291 /nfs/dbraw/zinc/49/02/91/813490291.db2.gz JTPGDBUAUQVVJS-CQSZACIVSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001270436549 813763819 /nfs/dbraw/zinc/76/38/19/813763819.db2.gz ODZMEWVWPFWGJB-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001087530292 814073705 /nfs/dbraw/zinc/07/37/05/814073705.db2.gz SYYOQAHWHLQTCK-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001087530292 814073713 /nfs/dbraw/zinc/07/37/13/814073713.db2.gz SYYOQAHWHLQTCK-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1CC ZINC001087530292 814073716 /nfs/dbraw/zinc/07/37/16/814073716.db2.gz SYYOQAHWHLQTCK-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1CC ZINC001087530292 814073724 /nfs/dbraw/zinc/07/37/24/814073724.db2.gz SYYOQAHWHLQTCK-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001271459950 814454291 /nfs/dbraw/zinc/45/42/91/814454291.db2.gz XKBPWIMICWJXPU-KBPBESRZSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001271548038 814473741 /nfs/dbraw/zinc/47/37/41/814473741.db2.gz AQNPSHFIGFMDKK-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C=C(C)CC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168416661 816151896 /nfs/dbraw/zinc/15/18/96/816151896.db2.gz ANHVGIQVQGHBRH-UHFFFAOYSA-N 2 1 283.416 0.771 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001089040043 816221182 /nfs/dbraw/zinc/22/11/82/816221182.db2.gz VKIYHQJCBIQWOO-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001089040043 816221191 /nfs/dbraw/zinc/22/11/91/816221191.db2.gz VKIYHQJCBIQWOO-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001272461159 816447859 /nfs/dbraw/zinc/44/78/59/816447859.db2.gz LZNZPADTSSLYSJ-HUUCEWRRSA-N 2 1 295.427 0.197 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001030958511 816502115 /nfs/dbraw/zinc/50/21/15/816502115.db2.gz MBTKOEMLHYDFIF-GFCCVEGCSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001030958511 816502121 /nfs/dbraw/zinc/50/21/21/816502121.db2.gz MBTKOEMLHYDFIF-GFCCVEGCSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309815 816735032 /nfs/dbraw/zinc/73/50/32/816735032.db2.gz FTOVZIGNARZVIB-KBUPBQIOSA-N 2 1 295.427 0.576 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309815 816735041 /nfs/dbraw/zinc/73/50/41/816735041.db2.gz FTOVZIGNARZVIB-KBUPBQIOSA-N 2 1 295.427 0.576 20 30 CCEDMP C#Cc1cccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234987286 816788810 /nfs/dbraw/zinc/78/88/10/816788810.db2.gz HEETZOLRPVISIW-INIZCTEOSA-N 2 1 255.365 0.805 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106881354 816974368 /nfs/dbraw/zinc/97/43/68/816974368.db2.gz CJOHYOZJTZGECV-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675969 817236991 /nfs/dbraw/zinc/23/69/91/817236991.db2.gz XXPVJANXAQMTKR-CQSZACIVSA-N 2 1 261.369 0.009 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031923160 817468577 /nfs/dbraw/zinc/46/85/77/817468577.db2.gz UTLISNMYAFSDLX-HNNXBMFYSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106982285 817570242 /nfs/dbraw/zinc/57/02/42/817570242.db2.gz HPDYTRFUQZEMSU-HZSPNIEDSA-N 2 1 265.401 0.808 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128831 817657307 /nfs/dbraw/zinc/65/73/07/817657307.db2.gz LGFHPTXPRVOOJD-CABCVRRESA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001032202715 817697486 /nfs/dbraw/zinc/69/74/86/817697486.db2.gz UIJAATRIRKFTBQ-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001032202715 817697494 /nfs/dbraw/zinc/69/74/94/817697494.db2.gz UIJAATRIRKFTBQ-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034149318 819096950 /nfs/dbraw/zinc/09/69/50/819096950.db2.gz VNFKLFMIEATAHY-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034149318 819096956 /nfs/dbraw/zinc/09/69/56/819096956.db2.gz VNFKLFMIEATAHY-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149318 819096961 /nfs/dbraw/zinc/09/69/61/819096961.db2.gz VNFKLFMIEATAHY-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149318 819096965 /nfs/dbraw/zinc/09/69/65/819096965.db2.gz VNFKLFMIEATAHY-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702397051 819108867 /nfs/dbraw/zinc/10/88/67/819108867.db2.gz NATKTQLSYIFEIL-DZGCQCFKSA-N 2 1 278.400 0.632 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702397051 819108870 /nfs/dbraw/zinc/10/88/70/819108870.db2.gz NATKTQLSYIFEIL-DZGCQCFKSA-N 2 1 278.400 0.632 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702397051 819108873 /nfs/dbraw/zinc/10/88/73/819108873.db2.gz NATKTQLSYIFEIL-DZGCQCFKSA-N 2 1 278.400 0.632 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035612213 819588664 /nfs/dbraw/zinc/58/86/64/819588664.db2.gz CANBURPMOGFHTK-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001035612213 819588670 /nfs/dbraw/zinc/58/86/70/819588670.db2.gz CANBURPMOGFHTK-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035612213 819588674 /nfs/dbraw/zinc/58/86/74/819588674.db2.gz CANBURPMOGFHTK-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035612213 819588679 /nfs/dbraw/zinc/58/86/79/819588679.db2.gz CANBURPMOGFHTK-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001079805479 820473613 /nfs/dbraw/zinc/47/36/13/820473613.db2.gz SJPAZOVEVYDMIS-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001079805479 820473617 /nfs/dbraw/zinc/47/36/17/820473617.db2.gz SJPAZOVEVYDMIS-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001079805479 820473621 /nfs/dbraw/zinc/47/36/21/820473621.db2.gz SJPAZOVEVYDMIS-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001079805479 820473623 /nfs/dbraw/zinc/47/36/23/820473623.db2.gz SJPAZOVEVYDMIS-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080382476 820558459 /nfs/dbraw/zinc/55/84/59/820558459.db2.gz NKRWIHSMEKHNCV-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699340 820825343 /nfs/dbraw/zinc/82/53/43/820825343.db2.gz QNRFROJCVRKYRO-GBJTYRQASA-N 2 1 293.411 0.165 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699340 820825355 /nfs/dbraw/zinc/82/53/55/820825355.db2.gz QNRFROJCVRKYRO-GBJTYRQASA-N 2 1 293.411 0.165 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699340 820825363 /nfs/dbraw/zinc/82/53/63/820825363.db2.gz QNRFROJCVRKYRO-GBJTYRQASA-N 2 1 293.411 0.165 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699340 820825373 /nfs/dbraw/zinc/82/53/73/820825373.db2.gz QNRFROJCVRKYRO-GBJTYRQASA-N 2 1 293.411 0.165 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083953517 821164086 /nfs/dbraw/zinc/16/40/86/821164086.db2.gz VSNAYFNSEPNFSD-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953517 821164091 /nfs/dbraw/zinc/16/40/91/821164091.db2.gz VSNAYFNSEPNFSD-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953517 821164095 /nfs/dbraw/zinc/16/40/95/821164095.db2.gz VSNAYFNSEPNFSD-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084663090 821344513 /nfs/dbraw/zinc/34/45/13/821344513.db2.gz LSEYAPMXBDWWKI-BZUAXINKSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084663090 821344522 /nfs/dbraw/zinc/34/45/22/821344522.db2.gz LSEYAPMXBDWWKI-BZUAXINKSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084663090 821344531 /nfs/dbraw/zinc/34/45/31/821344531.db2.gz LSEYAPMXBDWWKI-BZUAXINKSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084663090 821344535 /nfs/dbraw/zinc/34/45/35/821344535.db2.gz LSEYAPMXBDWWKI-BZUAXINKSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084777933 821388971 /nfs/dbraw/zinc/38/89/71/821388971.db2.gz XPCQFGMVHOJUBF-ZIAGYGMSSA-N 2 1 273.380 0.248 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084777933 821388978 /nfs/dbraw/zinc/38/89/78/821388978.db2.gz XPCQFGMVHOJUBF-ZIAGYGMSSA-N 2 1 273.380 0.248 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084958011 821442697 /nfs/dbraw/zinc/44/26/97/821442697.db2.gz IKXVXTHVLIREJU-VNQPRFMTSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085074826 821480436 /nfs/dbraw/zinc/48/04/36/821480436.db2.gz DWRAQPAXYXBOQK-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085074826 821480438 /nfs/dbraw/zinc/48/04/38/821480438.db2.gz DWRAQPAXYXBOQK-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085074826 821480443 /nfs/dbraw/zinc/48/04/43/821480443.db2.gz DWRAQPAXYXBOQK-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531012 821771628 /nfs/dbraw/zinc/77/16/28/821771628.db2.gz KODGAGKNNSGFDP-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531012 821771636 /nfs/dbraw/zinc/77/16/36/821771636.db2.gz KODGAGKNNSGFDP-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531012 821771644 /nfs/dbraw/zinc/77/16/44/821771644.db2.gz KODGAGKNNSGFDP-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531012 821771650 /nfs/dbraw/zinc/77/16/50/821771650.db2.gz KODGAGKNNSGFDP-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085783426 821953921 /nfs/dbraw/zinc/95/39/21/821953921.db2.gz VOAOWUTXVBYEFL-KKUMJFAQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001085783426 821953925 /nfs/dbraw/zinc/95/39/25/821953925.db2.gz VOAOWUTXVBYEFL-KKUMJFAQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001085783426 821953931 /nfs/dbraw/zinc/95/39/31/821953931.db2.gz VOAOWUTXVBYEFL-KKUMJFAQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001085783426 821953936 /nfs/dbraw/zinc/95/39/36/821953936.db2.gz VOAOWUTXVBYEFL-KKUMJFAQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799306 821959039 /nfs/dbraw/zinc/95/90/39/821959039.db2.gz OLEROZGAXXEVTQ-AWEZNQCLSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799306 821959045 /nfs/dbraw/zinc/95/90/45/821959045.db2.gz OLEROZGAXXEVTQ-AWEZNQCLSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328440 822180090 /nfs/dbraw/zinc/18/00/90/822180090.db2.gz PMFJPCPFCCGMPG-AWEZNQCLSA-N 2 1 265.401 0.693 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC)C1 ZINC001086389442 822234196 /nfs/dbraw/zinc/23/41/96/822234196.db2.gz JWMOOFZAVIDXGG-KKUMJFAQSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC)C1 ZINC001086389442 822234206 /nfs/dbraw/zinc/23/42/06/822234206.db2.gz JWMOOFZAVIDXGG-KKUMJFAQSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100077267 822237424 /nfs/dbraw/zinc/23/74/24/822237424.db2.gz ZPHHNOOJRKHVNB-HUUCEWRRSA-N 2 1 295.427 0.293 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100083124 822254618 /nfs/dbraw/zinc/25/46/18/822254618.db2.gz NPCHEFHSPDLUQI-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086456788 822264294 /nfs/dbraw/zinc/26/42/94/822264294.db2.gz WHXWAHACLHATDR-KKUMJFAQSA-N 2 1 295.427 0.766 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086456789 822265312 /nfs/dbraw/zinc/26/53/12/822265312.db2.gz WHXWAHACLHATDR-RBSFLKMASA-N 2 1 295.427 0.766 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287190 822304217 /nfs/dbraw/zinc/30/42/17/822304217.db2.gz NTWLOPWDEUMPAW-INIZCTEOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287190 822304228 /nfs/dbraw/zinc/30/42/28/822304228.db2.gz NTWLOPWDEUMPAW-INIZCTEOSA-N 2 1 295.427 0.559 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129423120 837503176 /nfs/dbraw/zinc/50/31/76/837503176.db2.gz QCYAQKNTWGRXCT-HNNXBMFYSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001183835954 844097570 /nfs/dbraw/zinc/09/75/70/844097570.db2.gz NVONQRACBHJXEH-GFCCVEGCSA-N 2 1 290.367 0.564 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129339129 836388470 /nfs/dbraw/zinc/38/84/70/836388470.db2.gz FXWXJAHTWSYPNX-ZDUSSCGKSA-N 2 1 253.390 0.856 20 30 CCEDMP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109846304 836736609 /nfs/dbraw/zinc/73/66/09/836736609.db2.gz DPYYSVLJZWEIMC-ILXRZTDVSA-N 2 1 291.395 0.063 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086556254 836894694 /nfs/dbraw/zinc/89/46/94/836894694.db2.gz PFCJRSSCXZNZJY-KKUMJFAQSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086556254 836894698 /nfs/dbraw/zinc/89/46/98/836894698.db2.gz PFCJRSSCXZNZJY-KKUMJFAQSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300000 837085181 /nfs/dbraw/zinc/08/51/81/837085181.db2.gz AWFYDVKJJXZMAF-UHFFFAOYSA-N 2 1 269.389 0.285 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184810967 844291094 /nfs/dbraw/zinc/29/10/94/844291094.db2.gz SYOOASFOHVJLNJ-HIFRSBDPSA-N 2 1 288.395 0.899 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277057 838352415 /nfs/dbraw/zinc/35/24/15/838352415.db2.gz ANNFHPRSJIELML-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132367606 838372431 /nfs/dbraw/zinc/37/24/31/838372431.db2.gz DCORYDSJXFBMSJ-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426311 838393190 /nfs/dbraw/zinc/39/31/90/838393190.db2.gz VLXVGDFLRKMGFN-LSDHHAIUSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090537685 839625927 /nfs/dbraw/zinc/62/59/27/839625927.db2.gz MYUJVRNROFCOJJ-GJZGRUSLSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090674500 839723073 /nfs/dbraw/zinc/72/30/73/839723073.db2.gz WCHGIJLVCWNOHE-GJZGRUSLSA-N 2 1 295.427 0.456 20 30 CCEDMP C#CCCN1CCC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1=O ZINC001246344380 839813755 /nfs/dbraw/zinc/81/37/55/839813755.db2.gz JJRDOYNTZYPBJM-MGPQQGTHSA-N 2 1 263.385 0.731 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNC(C=C)=[NH+]COC ZINC001171067404 839818169 /nfs/dbraw/zinc/81/81/69/839818169.db2.gz CEAOUJZOQKYVGQ-LBPRGKRZSA-N 2 1 283.372 0.991 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090817913 839833280 /nfs/dbraw/zinc/83/32/80/839833280.db2.gz UBIJGWYTTNGXMI-ZIAGYGMSSA-N 2 1 281.400 0.210 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001091032767 839995824 /nfs/dbraw/zinc/99/58/24/839995824.db2.gz GDHYEOBRBQQHJI-PFSRBDOWSA-N 2 1 277.412 0.834 20 30 CCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001091364603 840187825 /nfs/dbraw/zinc/18/78/25/840187825.db2.gz KFESHPYURVMYCL-MOKVOYLWSA-N 2 1 265.401 0.999 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001091360463 840189982 /nfs/dbraw/zinc/18/99/82/840189982.db2.gz CKCDPCNVUHUILR-OTTFEQOBSA-N 2 1 251.374 0.609 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333184 840284950 /nfs/dbraw/zinc/28/49/50/840284950.db2.gz NAMFRSZARQHVNZ-NWDGAFQWSA-N 2 1 262.357 0.698 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099878971 840321628 /nfs/dbraw/zinc/32/16/28/840321628.db2.gz CEBKDRKXSHFHOG-LSDHHAIUSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099878971 840321640 /nfs/dbraw/zinc/32/16/40/840321640.db2.gz CEBKDRKXSHFHOG-LSDHHAIUSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099878971 840321655 /nfs/dbraw/zinc/32/16/55/840321655.db2.gz CEBKDRKXSHFHOG-LSDHHAIUSA-N 2 1 295.427 0.598 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091974448 840983330 /nfs/dbraw/zinc/98/33/30/840983330.db2.gz HCDBNLOELZMMCJ-WBVHZDCISA-N 2 1 289.423 0.742 20 30 CCEDMP N#Cc1ccc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)nc1 ZINC001247506690 840984056 /nfs/dbraw/zinc/98/40/56/840984056.db2.gz DXIDUCKXLMJNJN-VIFPVBQESA-N 2 1 258.285 0.742 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092012003 840984853 /nfs/dbraw/zinc/98/48/53/840984853.db2.gz LJAFXEPMFZCLQF-UXLLHSPISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092012003 840984856 /nfs/dbraw/zinc/98/48/56/840984856.db2.gz LJAFXEPMFZCLQF-UXLLHSPISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092012003 840984862 /nfs/dbraw/zinc/98/48/62/840984862.db2.gz LJAFXEPMFZCLQF-UXLLHSPISA-N 2 1 289.423 0.884 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186824648 844605599 /nfs/dbraw/zinc/60/55/99/844605599.db2.gz DCSJSXKKRSQEEV-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001273459196 841114707 /nfs/dbraw/zinc/11/47/07/841114707.db2.gz ZVHXJSNBXJQQDB-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CCn3ccnc3)CC[C@@H]21 ZINC001036786308 841217532 /nfs/dbraw/zinc/21/75/32/841217532.db2.gz SQTIWKXMHGGCIW-GJZGRUSLSA-N 2 1 286.379 0.829 20 30 CCEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181009267 843372313 /nfs/dbraw/zinc/37/23/13/843372313.db2.gz UHBJPGQLHHYUAK-IIAWOOMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181009267 843372317 /nfs/dbraw/zinc/37/23/17/843372317.db2.gz UHBJPGQLHHYUAK-IIAWOOMASA-N 2 1 295.427 0.577 20 30 CCEDMP N#Cc1ccc2cc(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)[nH]c2c1 ZINC001206542227 843924650 /nfs/dbraw/zinc/92/46/50/843924650.db2.gz VQLLTBFCBXFILI-WFASDCNBSA-N 2 1 270.336 0.791 20 30 CCEDMP N#Cc1ccc2cc(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)[nH]c2c1 ZINC001206542227 843924657 /nfs/dbraw/zinc/92/46/57/843924657.db2.gz VQLLTBFCBXFILI-WFASDCNBSA-N 2 1 270.336 0.791 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)COC)C1 ZINC001183361122 844006338 /nfs/dbraw/zinc/00/63/38/844006338.db2.gz GWDMLWFVSRMTSO-ZNMIVQPWSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)COC)C1 ZINC001183361122 844006344 /nfs/dbraw/zinc/00/63/44/844006344.db2.gz GWDMLWFVSRMTSO-ZNMIVQPWSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191996733 845763924 /nfs/dbraw/zinc/76/39/24/845763924.db2.gz DEMRHQRWUGGSRT-CYBMUJFWSA-N 2 1 263.385 0.494 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192160998 845794467 /nfs/dbraw/zinc/79/44/67/845794467.db2.gz GAWPKEXFUZEIAP-AWEZNQCLSA-N 2 1 281.400 0.121 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487523 846092521 /nfs/dbraw/zinc/09/25/21/846092521.db2.gz ANSOFLQEWGKDPG-CQSZACIVSA-N 2 1 281.400 0.121 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193893067 846177293 /nfs/dbraw/zinc/17/72/93/846177293.db2.gz YJXGLCPEFFLNLU-RRFJBIMHSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193893067 846177303 /nfs/dbraw/zinc/17/73/03/846177303.db2.gz YJXGLCPEFFLNLU-RRFJBIMHSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193893067 846177308 /nfs/dbraw/zinc/17/73/08/846177308.db2.gz YJXGLCPEFFLNLU-RRFJBIMHSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194102141 846222871 /nfs/dbraw/zinc/22/28/71/846222871.db2.gz CJNQYGFYGCGQOF-JHJVBQTASA-N 2 1 269.389 0.064 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194265308 846254164 /nfs/dbraw/zinc/25/41/64/846254164.db2.gz PUGBGTGVKQZKNP-ZIAGYGMSSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194265308 846254173 /nfs/dbraw/zinc/25/41/73/846254173.db2.gz PUGBGTGVKQZKNP-ZIAGYGMSSA-N 2 1 297.443 0.844 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001203815948 846621866 /nfs/dbraw/zinc/62/18/66/846621866.db2.gz VNXQQWBBGCUBSC-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203815948 846621872 /nfs/dbraw/zinc/62/18/72/846621872.db2.gz VNXQQWBBGCUBSC-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222142 846708368 /nfs/dbraw/zinc/70/83/68/846708368.db2.gz GXZMWIIGQVCKHL-ZIAGYGMSSA-N 2 1 295.427 0.149 20 30 CCEDMP CC#CCN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222142 846708358 /nfs/dbraw/zinc/70/83/58/846708358.db2.gz GXZMWIIGQVCKHL-ZIAGYGMSSA-N 2 1 295.427 0.149 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222142 846708372 /nfs/dbraw/zinc/70/83/72/846708372.db2.gz GXZMWIIGQVCKHL-ZIAGYGMSSA-N 2 1 295.427 0.149 20 30 CCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222142 846708382 /nfs/dbraw/zinc/70/83/82/846708382.db2.gz GXZMWIIGQVCKHL-ZIAGYGMSSA-N 2 1 295.427 0.149 20 30 CCEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943835 847476371 /nfs/dbraw/zinc/47/63/71/847476371.db2.gz RXRDQKMIAZOPDB-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943835 847476376 /nfs/dbraw/zinc/47/63/76/847476376.db2.gz RXRDQKMIAZOPDB-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C[C@H](O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273881446 847725702 /nfs/dbraw/zinc/72/57/02/847725702.db2.gz NOUPOSFFUKRXQG-DZGCQCFKSA-N 2 1 281.400 0.162 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CCCO1 ZINC001201924908 847827298 /nfs/dbraw/zinc/82/72/98/847827298.db2.gz VMVMMINKEVSJMP-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114408850 848050588 /nfs/dbraw/zinc/05/05/88/848050588.db2.gz BIIUWEDEKBAACF-ZOBORPQBSA-N 2 1 263.385 0.559 20 30 CCEDMP CC#CCN(C)[C@@H](C)CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001275865360 848849828 /nfs/dbraw/zinc/84/98/28/848849828.db2.gz JATNOCQJWCWOKB-UONOGXRCSA-N 2 1 288.395 0.905 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169540 849084382 /nfs/dbraw/zinc/08/43/82/849084382.db2.gz YHBANFPONKYELX-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169540 849084390 /nfs/dbraw/zinc/08/43/90/849084390.db2.gz YHBANFPONKYELX-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114827233 849411114 /nfs/dbraw/zinc/41/11/14/849411114.db2.gz YERRJKHQEOYHJT-LJISPDSOSA-N 2 1 277.412 0.786 20 30 CCEDMP COCC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001276360952 849451056 /nfs/dbraw/zinc/45/10/56/849451056.db2.gz NHQYFPPAHJKVCX-HIFRSBDPSA-N 2 1 293.411 0.167 20 30 CCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001276360952 849451061 /nfs/dbraw/zinc/45/10/61/849451061.db2.gz NHQYFPPAHJKVCX-HIFRSBDPSA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038810651 850023892 /nfs/dbraw/zinc/02/38/92/850023892.db2.gz QKFIQUGEWWPKBZ-CQSZACIVSA-N 2 1 291.399 0.435 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038810651 850023900 /nfs/dbraw/zinc/02/39/00/850023900.db2.gz QKFIQUGEWWPKBZ-CQSZACIVSA-N 2 1 291.399 0.435 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039026415 850126330 /nfs/dbraw/zinc/12/63/30/850126330.db2.gz GCIQIYPSDCXNMW-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039026415 850126335 /nfs/dbraw/zinc/12/63/35/850126335.db2.gz GCIQIYPSDCXNMW-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039026415 850126341 /nfs/dbraw/zinc/12/63/41/850126341.db2.gz GCIQIYPSDCXNMW-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001039039071 850133321 /nfs/dbraw/zinc/13/33/21/850133321.db2.gz KNOUFEJNPBQATR-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001039039071 850133330 /nfs/dbraw/zinc/13/33/30/850133330.db2.gz KNOUFEJNPBQATR-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039039071 850133333 /nfs/dbraw/zinc/13/33/33/850133333.db2.gz KNOUFEJNPBQATR-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039039071 850133340 /nfs/dbraw/zinc/13/33/40/850133340.db2.gz KNOUFEJNPBQATR-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039470374 850195521 /nfs/dbraw/zinc/19/55/21/850195521.db2.gz XXLNXFPFUICODW-KFWWJZLASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001039470374 850195524 /nfs/dbraw/zinc/19/55/24/850195524.db2.gz XXLNXFPFUICODW-KFWWJZLASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001039470374 850195528 /nfs/dbraw/zinc/19/55/28/850195528.db2.gz XXLNXFPFUICODW-KFWWJZLASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041832570 850509389 /nfs/dbraw/zinc/50/93/89/850509389.db2.gz BTKWIECMHAGNIC-MRXNPFEDSA-N 2 1 275.396 0.640 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001042758628 850754328 /nfs/dbraw/zinc/75/43/28/850754328.db2.gz NONMWCDQOHFMNP-DZGCQCFKSA-N 2 1 293.411 0.568 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001042758628 850754332 /nfs/dbraw/zinc/75/43/32/850754332.db2.gz NONMWCDQOHFMNP-DZGCQCFKSA-N 2 1 293.411 0.568 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001044684867 851143760 /nfs/dbraw/zinc/14/37/60/851143760.db2.gz LSJJRBYPLATZSM-GXTWGEPZSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001049369474 852244604 /nfs/dbraw/zinc/24/46/04/852244604.db2.gz OXMQSTRJAKQSBK-KFWWJZLASA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001049369474 852244617 /nfs/dbraw/zinc/24/46/17/852244617.db2.gz OXMQSTRJAKQSBK-KFWWJZLASA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001049369474 852244628 /nfs/dbraw/zinc/24/46/28/852244628.db2.gz OXMQSTRJAKQSBK-KFWWJZLASA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049906230 852393488 /nfs/dbraw/zinc/39/34/88/852393488.db2.gz QPSPUUWFTDRYMM-HUUCEWRRSA-N 2 1 286.379 0.890 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049906230 852393498 /nfs/dbraw/zinc/39/34/98/852393498.db2.gz QPSPUUWFTDRYMM-HUUCEWRRSA-N 2 1 286.379 0.890 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001054905552 853034322 /nfs/dbraw/zinc/03/43/22/853034322.db2.gz HDVKPRZXPLVIDP-YPMHNXCESA-N 2 1 260.341 0.261 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050726761 853420305 /nfs/dbraw/zinc/42/03/05/853420305.db2.gz BLBZNINSEOPINR-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796168 854295702 /nfs/dbraw/zinc/29/57/02/854295702.db2.gz QBINWEUFWLRSCR-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059636 854522409 /nfs/dbraw/zinc/52/24/09/854522409.db2.gz NZMGNEDVITWWEE-UHFFFAOYSA-N 2 1 293.411 0.429 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059636 854522410 /nfs/dbraw/zinc/52/24/10/854522410.db2.gz NZMGNEDVITWWEE-UHFFFAOYSA-N 2 1 293.411 0.429 20 30 CCEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073553870 854592563 /nfs/dbraw/zinc/59/25/63/854592563.db2.gz AXBLZVBKOXZOAE-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073553870 854592572 /nfs/dbraw/zinc/59/25/72/854592572.db2.gz AXBLZVBKOXZOAE-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073553870 854592578 /nfs/dbraw/zinc/59/25/78/854592578.db2.gz AXBLZVBKOXZOAE-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001098214475 854853439 /nfs/dbraw/zinc/85/34/39/854853439.db2.gz KBAUPXZBCQKICM-YJNKXOJESA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001098214475 854853445 /nfs/dbraw/zinc/85/34/45/854853445.db2.gz KBAUPXZBCQKICM-YJNKXOJESA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001098214475 854853450 /nfs/dbraw/zinc/85/34/50/854853450.db2.gz KBAUPXZBCQKICM-YJNKXOJESA-N 2 1 275.396 0.683 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971476 855056253 /nfs/dbraw/zinc/05/62/53/855056253.db2.gz IRPHSRDUVHNLSA-OLZOCXBDSA-N 2 1 281.400 0.066 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100009287 855070615 /nfs/dbraw/zinc/07/06/15/855070615.db2.gz VVFPFTPQAISZNN-UONOGXRCSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100009287 855070618 /nfs/dbraw/zinc/07/06/18/855070618.db2.gz VVFPFTPQAISZNN-UONOGXRCSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100009287 855070623 /nfs/dbraw/zinc/07/06/23/855070623.db2.gz VVFPFTPQAISZNN-UONOGXRCSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100009287 855070625 /nfs/dbraw/zinc/07/06/25/855070625.db2.gz VVFPFTPQAISZNN-UONOGXRCSA-N 2 1 295.427 0.149 20 30 CCEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100211896 855120754 /nfs/dbraw/zinc/12/07/54/855120754.db2.gz FZNRNCGYGNPNCP-YMAMQOFZSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100211896 855120759 /nfs/dbraw/zinc/12/07/59/855120759.db2.gz FZNRNCGYGNPNCP-YMAMQOFZSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001100678827 855207975 /nfs/dbraw/zinc/20/79/75/855207975.db2.gz YQOGJMFUMUYKLI-IYXRBSQSSA-N 2 1 263.385 0.446 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001100873215 855234569 /nfs/dbraw/zinc/23/45/69/855234569.db2.gz YHGMUUKIZBVZCY-HSBZDZAISA-N 2 1 265.401 0.999 20 30 CCEDMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100901556 855236726 /nfs/dbraw/zinc/23/67/26/855236726.db2.gz BZKALGDTRPYORG-UHFFFAOYSA-N 2 1 295.427 0.462 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)CC[N@H+](C)CCC)CC1 ZINC001323596498 912439195 /nfs/dbraw/zinc/43/91/95/912439195.db2.gz MWEPRCHUJALXTB-UHFFFAOYSA-N 2 1 265.401 0.980 20 30 CCEDMP CC#CC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481170285 892266327 /nfs/dbraw/zinc/26/63/27/892266327.db2.gz KVDAJUADTCTZKR-MRXNPFEDSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001481461987 892699268 /nfs/dbraw/zinc/69/92/68/892699268.db2.gz MULAMQZFRCVTCF-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001481461987 892699272 /nfs/dbraw/zinc/69/92/72/892699272.db2.gz MULAMQZFRCVTCF-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001481461987 892699280 /nfs/dbraw/zinc/69/92/80/892699280.db2.gz MULAMQZFRCVTCF-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481507434 892754307 /nfs/dbraw/zinc/75/43/07/892754307.db2.gz YICPHUKFHZRYJT-CABCVRRESA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001481507434 892754313 /nfs/dbraw/zinc/75/43/13/892754313.db2.gz YICPHUKFHZRYJT-CABCVRRESA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481507434 892754318 /nfs/dbraw/zinc/75/43/18/892754318.db2.gz YICPHUKFHZRYJT-CABCVRRESA-N 2 1 277.412 0.742 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028464881 893300419 /nfs/dbraw/zinc/30/04/19/893300419.db2.gz GRQQCCNIZXPSTQ-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028464881 893300434 /nfs/dbraw/zinc/30/04/34/893300434.db2.gz GRQQCCNIZXPSTQ-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028464881 893300453 /nfs/dbraw/zinc/30/04/53/893300453.db2.gz GRQQCCNIZXPSTQ-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028464881 893300472 /nfs/dbraw/zinc/30/04/72/893300472.db2.gz GRQQCCNIZXPSTQ-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCOC ZINC001482109398 893397691 /nfs/dbraw/zinc/39/76/91/893397691.db2.gz CQUNGPFBGNZIHI-KBPBESRZSA-N 2 1 281.400 0.072 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCOC ZINC001482109398 893397708 /nfs/dbraw/zinc/39/77/08/893397708.db2.gz CQUNGPFBGNZIHI-KBPBESRZSA-N 2 1 281.400 0.072 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001482199263 893520173 /nfs/dbraw/zinc/52/01/73/893520173.db2.gz JTHHRUWVCHXWNR-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001482199263 893520190 /nfs/dbraw/zinc/52/01/90/893520190.db2.gz JTHHRUWVCHXWNR-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001482199263 893520209 /nfs/dbraw/zinc/52/02/09/893520209.db2.gz JTHHRUWVCHXWNR-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001482199263 893520226 /nfs/dbraw/zinc/52/02/26/893520226.db2.gz JTHHRUWVCHXWNR-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482924357 894701389 /nfs/dbraw/zinc/70/13/89/894701389.db2.gz FCTFPWYETDVUGN-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCOC ZINC001482929659 894703994 /nfs/dbraw/zinc/70/39/94/894703994.db2.gz DKBPIBDGBADFHA-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCOC ZINC001482929659 894704002 /nfs/dbraw/zinc/70/40/02/894704002.db2.gz DKBPIBDGBADFHA-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001507328589 895549213 /nfs/dbraw/zinc/54/92/13/895549213.db2.gz QKCHBVUYJIHXAQ-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001484246266 896276355 /nfs/dbraw/zinc/27/63/55/896276355.db2.gz HTNKYSHEQNXUOL-HIFRSBDPSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001484628759 896511399 /nfs/dbraw/zinc/51/13/99/896511399.db2.gz RZIWIBQTXIACPI-GFCCVEGCSA-N 2 1 267.373 0.132 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001484628759 896511408 /nfs/dbraw/zinc/51/14/08/896511408.db2.gz RZIWIBQTXIACPI-GFCCVEGCSA-N 2 1 267.373 0.132 20 30 CCEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001485363310 896989155 /nfs/dbraw/zinc/98/91/55/896989155.db2.gz XWRVQDZCXRBLIX-CYBMUJFWSA-N 2 1 291.399 0.128 20 30 CCEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001485386232 897029101 /nfs/dbraw/zinc/02/91/01/897029101.db2.gz DKWYDCYWKPPYBS-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001485386232 897029114 /nfs/dbraw/zinc/02/91/14/897029114.db2.gz DKWYDCYWKPPYBS-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001485386232 897029122 /nfs/dbraw/zinc/02/91/22/897029122.db2.gz DKWYDCYWKPPYBS-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001485386232 897029129 /nfs/dbraw/zinc/02/91/29/897029129.db2.gz DKWYDCYWKPPYBS-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001485802733 897254712 /nfs/dbraw/zinc/25/47/12/897254712.db2.gz BCZBENMYFOCIQP-LSDHHAIUSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001326760673 914147889 /nfs/dbraw/zinc/14/78/89/914147889.db2.gz IEMAKLDZXSEIAB-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001032442914 897573936 /nfs/dbraw/zinc/57/39/36/897573936.db2.gz IXVHUFZDNPIYMC-JYJNAYRXSA-N 2 1 289.423 0.883 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001032473268 897613649 /nfs/dbraw/zinc/61/36/49/897613649.db2.gz IFJKUFAXHQOBPR-CBBWQLFWSA-N 2 1 293.411 0.567 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001032473268 897613654 /nfs/dbraw/zinc/61/36/54/897613654.db2.gz IFJKUFAXHQOBPR-CBBWQLFWSA-N 2 1 293.411 0.567 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001032473268 897613663 /nfs/dbraw/zinc/61/36/63/897613663.db2.gz IFJKUFAXHQOBPR-CBBWQLFWSA-N 2 1 293.411 0.567 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001032473268 897613669 /nfs/dbraw/zinc/61/36/69/897613669.db2.gz IFJKUFAXHQOBPR-CBBWQLFWSA-N 2 1 293.411 0.567 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410450 897888979 /nfs/dbraw/zinc/88/89/79/897888979.db2.gz RTPCOSISPXUIOH-RBSFLKMASA-N 2 1 295.427 0.718 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410450 897888987 /nfs/dbraw/zinc/88/89/87/897888987.db2.gz RTPCOSISPXUIOH-RBSFLKMASA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001327050051 914336336 /nfs/dbraw/zinc/33/63/36/914336336.db2.gz VHYBIVZZFFDWDM-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001327050048 914336884 /nfs/dbraw/zinc/33/68/84/914336884.db2.gz VHYBIVZZFFDWDM-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001327276948 914458547 /nfs/dbraw/zinc/45/85/47/914458547.db2.gz JXXUMJIIMVVCFT-AWEZNQCLSA-N 2 1 265.401 0.742 20 30 CCEDMP C#CC[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001327276948 914458555 /nfs/dbraw/zinc/45/85/55/914458555.db2.gz JXXUMJIIMVVCFT-AWEZNQCLSA-N 2 1 265.401 0.742 20 30 CCEDMP C#CC[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001327276948 914458562 /nfs/dbraw/zinc/45/85/62/914458562.db2.gz JXXUMJIIMVVCFT-AWEZNQCLSA-N 2 1 265.401 0.742 20 30 CCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001327564295 914621676 /nfs/dbraw/zinc/62/16/76/914621676.db2.gz QBGYCXMRCBCNQI-IIAWOOMASA-N 2 1 295.427 0.456 20 30 CCEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001491230420 903458988 /nfs/dbraw/zinc/45/89/88/903458988.db2.gz NKSDDXVXWPUWMB-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001491230420 903458989 /nfs/dbraw/zinc/45/89/89/903458989.db2.gz NKSDDXVXWPUWMB-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001491230420 903458991 /nfs/dbraw/zinc/45/89/91/903458991.db2.gz NKSDDXVXWPUWMB-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064540 903831738 /nfs/dbraw/zinc/83/17/38/903831738.db2.gz OXXZUUOQKCVUNR-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064254 903831838 /nfs/dbraw/zinc/83/18/38/903831838.db2.gz LOQMGGJDCPOPIG-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001281750859 904343701 /nfs/dbraw/zinc/34/37/01/904343701.db2.gz GLGNAQJETXXZOO-NEPJUHHUSA-N 2 1 262.357 0.706 20 30 CCEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCOC ZINC001284668616 905412743 /nfs/dbraw/zinc/41/27/43/905412743.db2.gz PQBRCCDJFCRFPZ-AWEZNQCLSA-N 2 1 281.400 0.026 20 30 CCEDMP CC#CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCOC ZINC001284668616 905412747 /nfs/dbraw/zinc/41/27/47/905412747.db2.gz PQBRCCDJFCRFPZ-AWEZNQCLSA-N 2 1 281.400 0.026 20 30 CCEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CCOC ZINC001284668616 905412751 /nfs/dbraw/zinc/41/27/51/905412751.db2.gz PQBRCCDJFCRFPZ-AWEZNQCLSA-N 2 1 281.400 0.026 20 30 CCEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCOC ZINC001284668616 905412756 /nfs/dbraw/zinc/41/27/56/905412756.db2.gz PQBRCCDJFCRFPZ-AWEZNQCLSA-N 2 1 281.400 0.026 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001284967199 905516150 /nfs/dbraw/zinc/51/61/50/905516150.db2.gz LYHQPLUPRBTDQY-UHFFFAOYSA-N 2 1 291.395 0.090 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001284967199 905516160 /nfs/dbraw/zinc/51/61/60/905516160.db2.gz LYHQPLUPRBTDQY-UHFFFAOYSA-N 2 1 291.395 0.090 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001378536290 905666843 /nfs/dbraw/zinc/66/68/43/905666843.db2.gz FBSXKLQMGWBLQI-JQWIXIFHSA-N 2 1 289.807 0.411 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001378536290 905666854 /nfs/dbraw/zinc/66/68/54/905666854.db2.gz FBSXKLQMGWBLQI-JQWIXIFHSA-N 2 1 289.807 0.411 20 30 CCEDMP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001491857149 907609343 /nfs/dbraw/zinc/60/93/43/907609343.db2.gz QJTSTGIQEGCJEK-HUUCEWRRSA-N 2 1 295.427 0.579 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001491958369 907652005 /nfs/dbraw/zinc/65/20/05/907652005.db2.gz CJVCXNXUZKKFFW-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001491958369 907652011 /nfs/dbraw/zinc/65/20/11/907652011.db2.gz CJVCXNXUZKKFFW-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001491958369 907652021 /nfs/dbraw/zinc/65/20/21/907652021.db2.gz CJVCXNXUZKKFFW-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001337482433 908158502 /nfs/dbraw/zinc/15/85/02/908158502.db2.gz SVJFZJSTVFQKHU-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CCF)CC1 ZINC001317493093 908506395 /nfs/dbraw/zinc/50/63/95/908506395.db2.gz SIJYJULCEFVNBR-UHFFFAOYSA-N 2 1 283.391 0.739 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CCF)CC1 ZINC001317493093 908506403 /nfs/dbraw/zinc/50/64/03/908506403.db2.gz SIJYJULCEFVNBR-UHFFFAOYSA-N 2 1 283.391 0.739 20 30 CCEDMP C=CC[NH2+][C@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317405935 909179075 /nfs/dbraw/zinc/17/90/75/909179075.db2.gz NHWJBETWFBIZRY-CHWSQXEVSA-N 2 1 253.390 0.999 20 30 CCEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001317677480 909464028 /nfs/dbraw/zinc/46/40/28/909464028.db2.gz PDMRZPYSJUUFSX-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001317677480 909464040 /nfs/dbraw/zinc/46/40/40/909464040.db2.gz PDMRZPYSJUUFSX-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001318168814 909648794 /nfs/dbraw/zinc/64/87/94/909648794.db2.gz JLEZICIWSMWAIZ-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319998895 910405688 /nfs/dbraw/zinc/40/56/88/910405688.db2.gz HCUIAXRDJDPJOQ-CHWSQXEVSA-N 2 1 251.374 0.350 20 30 CCEDMP C#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001319998895 910405696 /nfs/dbraw/zinc/40/56/96/910405696.db2.gz HCUIAXRDJDPJOQ-CHWSQXEVSA-N 2 1 251.374 0.350 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001319998895 910405707 /nfs/dbraw/zinc/40/57/07/910405707.db2.gz HCUIAXRDJDPJOQ-CHWSQXEVSA-N 2 1 251.374 0.350 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001320073193 910446332 /nfs/dbraw/zinc/44/63/32/910446332.db2.gz UMKTUDLKWXYFEE-ZDUSSCGKSA-N 2 1 253.390 0.740 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H](C)OC ZINC001321543138 911363721 /nfs/dbraw/zinc/36/37/21/911363721.db2.gz HTGFRYQGZSYWEO-RDBSUJKOSA-N 2 1 281.400 0.213 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H](C)OC ZINC001321543138 911363734 /nfs/dbraw/zinc/36/37/34/911363734.db2.gz HTGFRYQGZSYWEO-RDBSUJKOSA-N 2 1 281.400 0.213 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001322298221 911751107 /nfs/dbraw/zinc/75/11/07/911751107.db2.gz JVYGHNMVUCJDPK-KBPBESRZSA-N 2 1 281.400 0.024 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)COC ZINC001322548653 911853758 /nfs/dbraw/zinc/85/37/58/911853758.db2.gz FBDKQKXSECEDJE-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)COC ZINC001322548653 911853777 /nfs/dbraw/zinc/85/37/77/911853777.db2.gz FBDKQKXSECEDJE-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001323109359 912122660 /nfs/dbraw/zinc/12/26/60/912122660.db2.gz QTBWMAGCCQIGCF-ZDUSSCGKSA-N 2 1 260.341 0.309 20 30 CCEDMP C#CC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001328049023 914941320 /nfs/dbraw/zinc/94/13/20/914941320.db2.gz CSCRAPPTRQZNFW-UHFFFAOYSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001329398249 915879926 /nfs/dbraw/zinc/87/99/26/915879926.db2.gz SKGSHLZCKFAMOW-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001329398249 915879944 /nfs/dbraw/zinc/87/99/44/915879944.db2.gz SKGSHLZCKFAMOW-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001329398249 915879959 /nfs/dbraw/zinc/87/99/59/915879959.db2.gz SKGSHLZCKFAMOW-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001329514728 915977011 /nfs/dbraw/zinc/97/70/11/915977011.db2.gz GRALVUNDACTGCZ-CQSZACIVSA-N 2 1 283.416 0.415 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001329530287 915990141 /nfs/dbraw/zinc/99/01/41/915990141.db2.gz GCDXQLWBZAJCNC-CYBMUJFWSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001330309599 916544178 /nfs/dbraw/zinc/54/41/78/916544178.db2.gz NVIQMIKCEUFACT-YIYPIFLZSA-N 2 1 263.385 0.254 20 30 CCEDMP C=CC[N@@H+](C)CCOCCNC(=O)C12CCC[NH+]1CCC2 ZINC001331130880 917109496 /nfs/dbraw/zinc/10/94/96/917109496.db2.gz CAVDEERSIGBHGP-UHFFFAOYSA-N 2 1 295.427 0.865 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001331927434 917721774 /nfs/dbraw/zinc/72/17/74/917721774.db2.gz BHIZGTLLOYKAHE-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332676827 918375514 /nfs/dbraw/zinc/37/55/14/918375514.db2.gz FJGUEGPWYRMUKC-CQSZACIVSA-N 2 1 294.399 0.519 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332676827 918375533 /nfs/dbraw/zinc/37/55/33/918375533.db2.gz FJGUEGPWYRMUKC-CQSZACIVSA-N 2 1 294.399 0.519 20 30 CCEDMP N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001336727351 920956111 /nfs/dbraw/zinc/95/61/11/920956111.db2.gz HCOVLVIERIRORQ-DGCLKSJQSA-N 2 1 260.341 0.842 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001336878384 921078879 /nfs/dbraw/zinc/07/88/79/921078879.db2.gz ZEJWWJLMQPCXEF-ZIAGYGMSSA-N 2 1 280.416 0.568 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001340018724 921917314 /nfs/dbraw/zinc/91/73/14/921917314.db2.gz ISNKLVPFGMQRBR-CABCVRRESA-N 2 1 295.427 0.993 20 30 CCEDMP C#CC[NH2+]CC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001343505558 923355628 /nfs/dbraw/zinc/35/56/28/923355628.db2.gz AMKCDSYXKLECDK-UHFFFAOYSA-N 2 1 259.309 0.330 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001345443424 923890599 /nfs/dbraw/zinc/89/05/99/923890599.db2.gz HKAXWRNRFKOOGJ-VIFPVBQESA-N 2 1 269.736 0.395 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001479964407 924972222 /nfs/dbraw/zinc/97/22/22/924972222.db2.gz VMKIPMSKGFKCHO-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001479964407 924972230 /nfs/dbraw/zinc/97/22/30/924972230.db2.gz VMKIPMSKGFKCHO-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000295018060 199302047 /nfs/dbraw/zinc/30/20/47/199302047.db2.gz NINYOXGNGZCVOE-ZDUSSCGKSA-N 2 1 263.389 0.946 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000295018060 199302049 /nfs/dbraw/zinc/30/20/49/199302049.db2.gz NINYOXGNGZCVOE-ZDUSSCGKSA-N 2 1 263.389 0.946 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000295018057 199302424 /nfs/dbraw/zinc/30/24/24/199302424.db2.gz NINYOXGNGZCVOE-CYBMUJFWSA-N 2 1 263.389 0.946 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000295018057 199302426 /nfs/dbraw/zinc/30/24/26/199302426.db2.gz NINYOXGNGZCVOE-CYBMUJFWSA-N 2 1 263.389 0.946 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602875760 362856007 /nfs/dbraw/zinc/85/60/07/362856007.db2.gz ADITULWWBDUSHE-UHFFFAOYSA-N 2 1 294.399 0.416 20 30 CCEDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(C#N)cc1 ZINC000071148830 348904649 /nfs/dbraw/zinc/90/46/49/348904649.db2.gz BQAJDNVNRMWAGC-UHFFFAOYSA-N 2 1 258.369 0.895 20 30 CCEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000164461706 350778783 /nfs/dbraw/zinc/77/87/83/350778783.db2.gz VVYRWPJMXWXJPK-RBSFLKMASA-N 2 1 287.363 0.449 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1CCC[C@H]1O)[C@@H]1CCC[C@H]1O ZINC000511592175 358334337 /nfs/dbraw/zinc/33/43/37/358334337.db2.gz IQSPPCXKVPKATN-KLHDSHLOSA-N 2 1 280.412 0.680 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000592135871 359763097 /nfs/dbraw/zinc/76/30/97/359763097.db2.gz JDDSARFDPOKKBJ-QWHCGFSZSA-N 2 1 264.373 0.608 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000592135870 359763326 /nfs/dbraw/zinc/76/33/26/359763326.db2.gz JDDSARFDPOKKBJ-OLZOCXBDSA-N 2 1 264.373 0.608 20 30 CCEDMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000594441078 360309969 /nfs/dbraw/zinc/30/99/69/360309969.db2.gz MJWGEAYXASWUJS-TZMCWYRMSA-N 2 1 278.400 0.998 20 30 CCEDMP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594659599 360355743 /nfs/dbraw/zinc/35/57/43/360355743.db2.gz GMNGEGQKMOJNDI-QWHCGFSZSA-N 2 1 292.383 0.301 20 30 CCEDMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594659599 360355746 /nfs/dbraw/zinc/35/57/46/360355746.db2.gz GMNGEGQKMOJNDI-QWHCGFSZSA-N 2 1 292.383 0.301 20 30 CCEDMP CC(C)(C#N)C[C@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000598730485 361499554 /nfs/dbraw/zinc/49/95/54/361499554.db2.gz WQFRFVXSBUJNOB-AWEZNQCLSA-N 2 1 283.416 0.724 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000490778804 261207700 /nfs/dbraw/zinc/20/77/00/261207700.db2.gz LPBRGYSVUVLRPA-LSDHHAIUSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000656540497 412819419 /nfs/dbraw/zinc/81/94/19/412819419.db2.gz KBNXZIXYNIAGHL-LBPRGKRZSA-N 2 1 256.394 0.744 20 30 CCEDMP C=CCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000656540497 412819423 /nfs/dbraw/zinc/81/94/23/412819423.db2.gz KBNXZIXYNIAGHL-LBPRGKRZSA-N 2 1 256.394 0.744 20 30 CCEDMP C=CCN(CCOC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000191117567 389006855 /nfs/dbraw/zinc/00/68/55/389006855.db2.gz RNFZPYFLFFUZGZ-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000133408168 389235535 /nfs/dbraw/zinc/23/55/35/389235535.db2.gz YSGMRFVWVRPCQP-CYBMUJFWSA-N 2 1 266.389 0.632 20 30 CCEDMP C#CCNC(NCc1ccc(-n2cc[nH+]c2C)nc1)=[NH+]C ZINC000262604548 389289981 /nfs/dbraw/zinc/28/99/81/389289981.db2.gz FXGHZFZDQRWGDJ-UHFFFAOYSA-N 2 1 282.351 0.874 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccco1 ZINC000267472245 389371194 /nfs/dbraw/zinc/37/11/94/389371194.db2.gz YCXKVYZHTBDHFG-SWLSCSKDSA-N 2 1 294.399 0.876 20 30 CCEDMP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)ccc1C#N ZINC000440625755 390041498 /nfs/dbraw/zinc/04/14/98/390041498.db2.gz OWLGUZWHIXGMCY-OAHLLOKOSA-N 2 1 275.352 0.723 20 30 CCEDMP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccc1C#N ZINC000440625755 390041500 /nfs/dbraw/zinc/04/15/00/390041500.db2.gz OWLGUZWHIXGMCY-OAHLLOKOSA-N 2 1 275.352 0.723 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000564843992 390497466 /nfs/dbraw/zinc/49/74/66/390497466.db2.gz DNAACLNJVMEHEI-MRXNPFEDSA-N 2 1 294.443 0.823 20 30 CCEDMP C=CC[C@@]1(C(=O)NCC[N@@H+]2CCCOCC2)CCC[NH2+]1 ZINC000662796735 414802015 /nfs/dbraw/zinc/80/20/15/414802015.db2.gz BUVKPDAJPQZJMJ-HNNXBMFYSA-N 2 1 281.400 0.523 20 30 CCEDMP C=CC[C@@]1(C(=O)NCC[N@H+]2CCCOCC2)CCC[NH2+]1 ZINC000662796735 414802016 /nfs/dbraw/zinc/80/20/16/414802016.db2.gz BUVKPDAJPQZJMJ-HNNXBMFYSA-N 2 1 281.400 0.523 20 30 CCEDMP C[N@H+]1CCCN(CCNC(=[NH2+])NC(C)(C)C)CC1 ZINC000104175064 261289300 /nfs/dbraw/zinc/28/93/00/261289300.db2.gz MWHXIDBKZDVGHW-UHFFFAOYSA-N 2 1 255.410 0.327 20 30 CCEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000341905928 263364831 /nfs/dbraw/zinc/36/48/31/263364831.db2.gz SVARYCZAPJUCRI-QKPAOTATSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000341905928 263364832 /nfs/dbraw/zinc/36/48/32/263364832.db2.gz SVARYCZAPJUCRI-QKPAOTATSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000341905928 263364835 /nfs/dbraw/zinc/36/48/35/263364835.db2.gz SVARYCZAPJUCRI-QKPAOTATSA-N 2 1 280.412 0.395 20 30 CCEDMP C[NH+]=C(NCc1ccnn1C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261943723 328143406 /nfs/dbraw/zinc/14/34/06/328143406.db2.gz FDIMQQAGLQPAQC-RISCZKNCSA-N 2 1 290.415 0.568 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442791740 328547866 /nfs/dbraw/zinc/54/78/66/328547866.db2.gz MGKGDJQJDJCHEN-STQMWFEESA-N 2 1 264.373 0.432 20 30 CCEDMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C(C)C ZINC000424162344 330307267 /nfs/dbraw/zinc/30/72/67/330307267.db2.gz WRBBOSSLODHUQD-LBPRGKRZSA-N 2 1 254.378 0.854 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000584286340 327218390 /nfs/dbraw/zinc/21/83/90/327218390.db2.gz IOLXSDZFMKAFEH-AWEZNQCLSA-N 2 1 264.373 0.484 20 30 CCEDMP COCC[NH+]1CCC(N[C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000173640885 329150241 /nfs/dbraw/zinc/15/02/41/329150241.db2.gz UCZUSUWUYQBDBE-ZDUSSCGKSA-N 2 1 296.415 0.447 20 30 CCEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262489289 330017177 /nfs/dbraw/zinc/01/71/77/330017177.db2.gz UIKNCOGIMNJJSR-KBPBESRZSA-N 2 1 282.432 1.000 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(O)CCC1 ZINC000262548373 330020887 /nfs/dbraw/zinc/02/08/87/330020887.db2.gz WMOUGTFPXVVNHI-NSHDSACASA-N 2 1 254.378 0.290 20 30 CCEDMP C[NH+]=C(NC1CCC1)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000262820746 330033939 /nfs/dbraw/zinc/03/39/39/330033939.db2.gz YELUJCGRFPUTPD-LBPRGKRZSA-N 2 1 254.378 0.425 20 30 CCEDMP C[NH+]=C(NC1CCC1)N[C@H]1CC[N@H+](CCOC)C1 ZINC000262820746 330033941 /nfs/dbraw/zinc/03/39/41/330033941.db2.gz YELUJCGRFPUTPD-LBPRGKRZSA-N 2 1 254.378 0.425 20 30 CCEDMP C[NH+]=C(NC1CCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262822935 330034160 /nfs/dbraw/zinc/03/41/60/330034160.db2.gz YWLAREBEEICJEC-CYBMUJFWSA-N 2 1 280.416 0.768 20 30 CCEDMP C[C@@H]1CCCN(C(=[NH2+])NCC[NH+]2CCC(O)CC2)C1 ZINC000263167145 330047032 /nfs/dbraw/zinc/04/70/32/330047032.db2.gz RLQQBFJJDVJYNU-GFCCVEGCSA-N 2 1 268.405 0.490 20 30 CCEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423014740 330165342 /nfs/dbraw/zinc/16/53/42/330165342.db2.gz JECLJTKOUZXVCG-GBJTYRQASA-N 2 1 268.401 0.918 20 30 CCEDMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424147224 330293961 /nfs/dbraw/zinc/29/39/61/330293961.db2.gz QVSOBJQHFGSGLL-CHWSQXEVSA-N 2 1 282.388 0.235 20 30 CCEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+](C)C1CC1 ZINC000424160827 330306360 /nfs/dbraw/zinc/30/63/60/330306360.db2.gz VBLDVEZUAHKOIZ-ZYHUDNBSSA-N 2 1 252.362 0.606 20 30 CCEDMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424175486 330315650 /nfs/dbraw/zinc/31/56/50/330315650.db2.gz QOVVEJPADPAMJG-LBPRGKRZSA-N 2 1 252.362 0.560 20 30 CCEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]2C1 ZINC000424177845 330317726 /nfs/dbraw/zinc/31/77/26/330317726.db2.gz VCLJHNIYNGVZFA-JHJVBQTASA-N 2 1 264.373 0.560 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000490595018 332094349 /nfs/dbraw/zinc/09/43/49/332094349.db2.gz YKCPUAKTNFGIDY-AWEZNQCLSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000490761057 332113431 /nfs/dbraw/zinc/11/34/31/332113431.db2.gz RGEVQHDNBVTWDZ-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(C[NH3+])CC1 ZINC000491407805 332206631 /nfs/dbraw/zinc/20/66/31/332206631.db2.gz SXDYNASISUVUAJ-UHFFFAOYSA-N 2 1 266.389 0.322 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[N@H+](CC)C1CC1 ZINC000491653241 332266090 /nfs/dbraw/zinc/26/60/90/332266090.db2.gz CIVOWXBLLWRYSX-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CCCCn1cc[nH+]c1C ZINC000491678270 332282994 /nfs/dbraw/zinc/28/29/94/332282994.db2.gz ANYATLLUOKYFKA-UHFFFAOYSA-N 2 1 262.357 0.701 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000491694991 332291009 /nfs/dbraw/zinc/29/10/09/332291009.db2.gz WRTCYOSBVHPJKC-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000491763821 332332675 /nfs/dbraw/zinc/33/26/75/332332675.db2.gz ACZXNAVDMFQVBK-ZDUSSCGKSA-N 2 1 268.405 0.614 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1=CC[NH2+]CC1 ZINC000491785127 332348071 /nfs/dbraw/zinc/34/80/71/332348071.db2.gz SBCXUMFCHWAMLF-UHFFFAOYSA-N 2 1 264.373 0.160 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000491786601 332349324 /nfs/dbraw/zinc/34/93/24/332349324.db2.gz UNJBRFLPUOXMTQ-UHFFFAOYSA-N 2 1 288.395 0.979 20 30 CCEDMP C#C[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000491811389 332363886 /nfs/dbraw/zinc/36/38/86/332363886.db2.gz CRECELHLPVCKMM-GFCCVEGCSA-N 2 1 251.374 0.540 20 30 CCEDMP C#C[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000491811389 332363887 /nfs/dbraw/zinc/36/38/87/332363887.db2.gz CRECELHLPVCKMM-GFCCVEGCSA-N 2 1 251.374 0.540 20 30 CCEDMP C[C@H](CNC(=[NH2+])N(C)C1CC1)CN1CC[NH+](C)CC1 ZINC000305820083 649880691 /nfs/dbraw/zinc/88/06/91/649880691.db2.gz OIDODTAISYNVIV-GFCCVEGCSA-N 2 1 267.421 0.279 20 30 CCEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000783536918 581349153 /nfs/dbraw/zinc/34/91/53/581349153.db2.gz RQQVZWCDIDVVGF-CHWSQXEVSA-N 2 1 272.414 0.804 20 30 CCEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000783536918 581349154 /nfs/dbraw/zinc/34/91/54/581349154.db2.gz RQQVZWCDIDVVGF-CHWSQXEVSA-N 2 1 272.414 0.804 20 30 CCEDMP C[NH+](C)CCCN(CCC#N)C(=O)CC[NH+]1CCOCC1 ZINC000729342834 581575837 /nfs/dbraw/zinc/57/58/37/581575837.db2.gz BECDHCCJVNRFIV-UHFFFAOYSA-N 2 1 296.415 0.403 20 30 CCEDMP C#CCOCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000851860545 612984334 /nfs/dbraw/zinc/98/43/34/612984334.db2.gz KOYNAISTKJHVQR-SOUVJXGZSA-N 2 1 266.385 0.820 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968646270 613024092 /nfs/dbraw/zinc/02/40/92/613024092.db2.gz CUZFGTGIUBJWQF-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968646270 613024093 /nfs/dbraw/zinc/02/40/93/613024093.db2.gz CUZFGTGIUBJWQF-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000965064570 612954161 /nfs/dbraw/zinc/95/41/61/612954161.db2.gz QQZNGIGTROWDGG-DPGVGJJJSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000894862477 613078410 /nfs/dbraw/zinc/07/84/10/613078410.db2.gz ALPXECVOXCWZSX-UHFFFAOYSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000894862477 613078411 /nfs/dbraw/zinc/07/84/11/613078411.db2.gz ALPXECVOXCWZSX-UHFFFAOYSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886616323 613078974 /nfs/dbraw/zinc/07/89/74/613078974.db2.gz ZVMIYZWMMZBJGF-CHWSQXEVSA-N 2 1 252.358 0.873 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886616323 613078977 /nfs/dbraw/zinc/07/89/77/613078977.db2.gz ZVMIYZWMMZBJGF-CHWSQXEVSA-N 2 1 252.358 0.873 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000972334770 613090132 /nfs/dbraw/zinc/09/01/32/613090132.db2.gz JUSSEKZGIALAKM-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000972334770 613090134 /nfs/dbraw/zinc/09/01/34/613090134.db2.gz JUSSEKZGIALAKM-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP CC(C)NC(=[NH2+])NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000104159716 614300320 /nfs/dbraw/zinc/30/03/20/614300320.db2.gz OMXOSHXKCPVGJW-TXEJJXNPSA-N 2 1 256.394 0.798 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000965912367 612954401 /nfs/dbraw/zinc/95/44/01/612954401.db2.gz NGJAEBRYNOEJDB-BHTBLZRRSA-N 2 1 275.396 0.588 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000968738529 612963726 /nfs/dbraw/zinc/96/37/26/612963726.db2.gz ZDSNQNYXUMAWDE-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCOCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852762732 612983766 /nfs/dbraw/zinc/98/37/66/612983766.db2.gz UWSUFAAMJUJNOS-AWEZNQCLSA-N 2 1 254.374 0.679 20 30 CCEDMP C#CCOCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852762732 612983768 /nfs/dbraw/zinc/98/37/68/612983768.db2.gz UWSUFAAMJUJNOS-AWEZNQCLSA-N 2 1 254.374 0.679 20 30 CCEDMP C#CC[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872213914 613030170 /nfs/dbraw/zinc/03/01/70/613030170.db2.gz HWVPZBKLPCNERI-IRXDYDNUSA-N 2 1 288.391 0.597 20 30 CCEDMP C#CC[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872213914 613030171 /nfs/dbraw/zinc/03/01/71/613030171.db2.gz HWVPZBKLPCNERI-IRXDYDNUSA-N 2 1 288.391 0.597 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000895057683 613074632 /nfs/dbraw/zinc/07/46/32/613074632.db2.gz WOMYTRVTIZBTFU-GOEBONIOSA-N 2 1 292.427 0.535 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000895057683 613074633 /nfs/dbraw/zinc/07/46/33/613074633.db2.gz WOMYTRVTIZBTFU-GOEBONIOSA-N 2 1 292.427 0.535 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000895057683 613074635 /nfs/dbraw/zinc/07/46/35/613074635.db2.gz WOMYTRVTIZBTFU-GOEBONIOSA-N 2 1 292.427 0.535 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000908435086 613078354 /nfs/dbraw/zinc/07/83/54/613078354.db2.gz BPGMBFAOPXFIFX-UHFFFAOYSA-N 2 1 291.399 0.130 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000972334770 613090130 /nfs/dbraw/zinc/09/01/30/613090130.db2.gz JUSSEKZGIALAKM-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000918894276 613135392 /nfs/dbraw/zinc/13/53/92/613135392.db2.gz VGGDVZDAFGWYOF-AWEZNQCLSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC000968797027 613145844 /nfs/dbraw/zinc/14/58/44/613145844.db2.gz RBTZVWASLWJQPB-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000890372402 613167846 /nfs/dbraw/zinc/16/78/46/613167846.db2.gz IUMGYTALSDFJGR-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000890372402 613167847 /nfs/dbraw/zinc/16/78/47/613167847.db2.gz IUMGYTALSDFJGR-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000890362901 613168246 /nfs/dbraw/zinc/16/82/46/613168246.db2.gz ILZXCJWTKFNYFE-CYBMUJFWSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000890362901 613168248 /nfs/dbraw/zinc/16/82/48/613168248.db2.gz ILZXCJWTKFNYFE-CYBMUJFWSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CC)C1 ZINC000884041058 613170275 /nfs/dbraw/zinc/17/02/75/613170275.db2.gz LBZPHCDLMMRPOS-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CC)C1 ZINC000884041058 613170277 /nfs/dbraw/zinc/17/02/77/613170277.db2.gz LBZPHCDLMMRPOS-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2CC)C1 ZINC000884041058 613170280 /nfs/dbraw/zinc/17/02/80/613170280.db2.gz LBZPHCDLMMRPOS-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2CC)C1 ZINC000884041058 613170282 /nfs/dbraw/zinc/17/02/82/613170282.db2.gz LBZPHCDLMMRPOS-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000854654241 613196307 /nfs/dbraw/zinc/19/63/07/613196307.db2.gz KGHGVKLSGXIGPT-MJBXVCDLSA-N 2 1 263.385 0.635 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000854654241 613196308 /nfs/dbraw/zinc/19/63/08/613196308.db2.gz KGHGVKLSGXIGPT-MJBXVCDLSA-N 2 1 263.385 0.635 20 30 CCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000962562500 613280238 /nfs/dbraw/zinc/28/02/38/613280238.db2.gz ZSPLIBLZQWXHQC-KBXIAJHMSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962562500 613280239 /nfs/dbraw/zinc/28/02/39/613280239.db2.gz ZSPLIBLZQWXHQC-KBXIAJHMSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962562500 613280240 /nfs/dbraw/zinc/28/02/40/613280240.db2.gz ZSPLIBLZQWXHQC-KBXIAJHMSA-N 2 1 277.412 0.951 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474647 613324299 /nfs/dbraw/zinc/32/42/99/613324299.db2.gz KLXWZBTWQSSXFD-UHFFFAOYSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CCNC(=O)CC[NH2+]Cc1cccnc1-n1cc[nH+]c1C ZINC000818971342 613327082 /nfs/dbraw/zinc/32/70/82/613327082.db2.gz ULXURIDIROMUBO-UHFFFAOYSA-N 2 1 297.362 0.805 20 30 CCEDMP C=C(C)CNC(=[NH2+])NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000849000297 613346450 /nfs/dbraw/zinc/34/64/50/613346450.db2.gz QOPJKOLCSOSFQE-GFCCVEGCSA-N 2 1 281.404 0.264 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000970724288 613348581 /nfs/dbraw/zinc/34/85/81/613348581.db2.gz NWGARYHQBGXRPG-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C=C(C)COCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000126163609 613351779 /nfs/dbraw/zinc/35/17/79/613351779.db2.gz DJGVKGPJQFGSAD-ZDUSSCGKSA-N 2 1 268.405 0.968 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000907601969 613363866 /nfs/dbraw/zinc/36/38/66/613363866.db2.gz AJCSTJHBJITKRM-AWEZNQCLSA-N 2 1 297.443 0.798 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889745210 613364279 /nfs/dbraw/zinc/36/42/79/613364279.db2.gz RQQPHIZAUUJFMC-CABCVRRESA-N 2 1 295.427 0.552 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000910927524 613364348 /nfs/dbraw/zinc/36/43/48/613364348.db2.gz ALAQOAAELHPEAI-ZIAGYGMSSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000900781313 613365056 /nfs/dbraw/zinc/36/50/56/613365056.db2.gz BDPOFEQILMFAKO-ZDUSSCGKSA-N 2 1 283.416 0.579 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000911843000 613366863 /nfs/dbraw/zinc/36/68/63/613366863.db2.gz KTRJOCOSZHKYCI-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928085266 613366872 /nfs/dbraw/zinc/36/68/72/613366872.db2.gz HGFJOSDIQMREAC-STQMWFEESA-N 2 1 283.441 0.800 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944169380 613577276 /nfs/dbraw/zinc/57/72/76/613577276.db2.gz OQVSRZJLEWLVGE-LSDHHAIUSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923346310 613585629 /nfs/dbraw/zinc/58/56/29/613585629.db2.gz QYELELZKMCSLOM-ZIAGYGMSSA-N 2 1 283.416 0.633 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944944291 613598093 /nfs/dbraw/zinc/59/80/93/613598093.db2.gz MEZLAYSBXJANAH-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H](C)COC ZINC000878889770 613641812 /nfs/dbraw/zinc/64/18/12/613641812.db2.gz HYWKPBZLHJVQHZ-CYBMUJFWSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H](C)COC ZINC000878889770 613641813 /nfs/dbraw/zinc/64/18/13/613641813.db2.gz HYWKPBZLHJVQHZ-CYBMUJFWSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](C)COC ZINC000878889771 613641836 /nfs/dbraw/zinc/64/18/36/613641836.db2.gz HYWKPBZLHJVQHZ-ZDUSSCGKSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](C)COC ZINC000878889771 613641837 /nfs/dbraw/zinc/64/18/37/613641837.db2.gz HYWKPBZLHJVQHZ-ZDUSSCGKSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)COC ZINC000923387872 613651220 /nfs/dbraw/zinc/65/12/20/613651220.db2.gz ZVQLOFPDXUKYOO-STQMWFEESA-N 2 1 254.374 0.888 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970910769 613670182 /nfs/dbraw/zinc/67/01/82/613670182.db2.gz PVMBUOBBEOZQRJ-GXTWGEPZSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970910769 613670183 /nfs/dbraw/zinc/67/01/83/613670183.db2.gz PVMBUOBBEOZQRJ-GXTWGEPZSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCCC2)CC1 ZINC000905099245 613675554 /nfs/dbraw/zinc/67/55/54/613675554.db2.gz ZVFLLPDYFFLCQP-CQSZACIVSA-N 2 1 268.401 0.892 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977614454 613807604 /nfs/dbraw/zinc/80/76/04/613807604.db2.gz LFYDHZAGNABWKG-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977614454 613807605 /nfs/dbraw/zinc/80/76/05/613807605.db2.gz LFYDHZAGNABWKG-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614454 613807607 /nfs/dbraw/zinc/80/76/07/613807607.db2.gz LFYDHZAGNABWKG-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614454 613807609 /nfs/dbraw/zinc/80/76/09/613807609.db2.gz LFYDHZAGNABWKG-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978354300 613835256 /nfs/dbraw/zinc/83/52/56/613835256.db2.gz MZKBKPDJDRKUFL-ARILJUKYSA-N 2 1 293.411 0.186 20 30 CCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978354300 613835258 /nfs/dbraw/zinc/83/52/58/613835258.db2.gz MZKBKPDJDRKUFL-ARILJUKYSA-N 2 1 293.411 0.186 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978354300 613835260 /nfs/dbraw/zinc/83/52/60/613835260.db2.gz MZKBKPDJDRKUFL-ARILJUKYSA-N 2 1 293.411 0.186 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978354300 613835261 /nfs/dbraw/zinc/83/52/61/613835261.db2.gz MZKBKPDJDRKUFL-ARILJUKYSA-N 2 1 293.411 0.186 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961184887 613838987 /nfs/dbraw/zinc/83/89/87/613838987.db2.gz MTEKBAPIYSWICQ-IMRBUKKESA-N 2 1 260.341 0.424 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961184887 613838988 /nfs/dbraw/zinc/83/89/88/613838988.db2.gz MTEKBAPIYSWICQ-IMRBUKKESA-N 2 1 260.341 0.424 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704483 613846055 /nfs/dbraw/zinc/84/60/55/613846055.db2.gz VDMBKTXGSJJWMP-AWEZNQCLSA-N 2 1 253.390 0.986 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704483 613846056 /nfs/dbraw/zinc/84/60/56/613846056.db2.gz VDMBKTXGSJJWMP-AWEZNQCLSA-N 2 1 253.390 0.986 20 30 CCEDMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852901364 613936191 /nfs/dbraw/zinc/93/61/91/613936191.db2.gz FHLCCHRCBBVAIO-AWEZNQCLSA-N 2 1 277.412 0.978 20 30 CCEDMP CCC[N@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852915155 614744691 /nfs/dbraw/zinc/74/46/91/614744691.db2.gz RRJRUOMCPNHNRN-AWEZNQCLSA-N 2 1 263.385 0.590 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834483980 615112060 /nfs/dbraw/zinc/11/20/60/615112060.db2.gz BZLDORMLOGINRD-IJLUTSLNSA-N 2 1 250.346 0.089 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(NC[C@@H](O)C(F)(F)F)=[NH+]C ZINC000864236775 615144268 /nfs/dbraw/zinc/14/42/68/615144268.db2.gz VXRIZRKVQOMNKQ-VHSXEESVSA-N 2 1 296.337 0.559 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001026044900 625324916 /nfs/dbraw/zinc/32/49/16/625324916.db2.gz UPCBNYGPLCWIAU-BTFPBAQTSA-N 2 1 275.396 0.254 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026044900 625324919 /nfs/dbraw/zinc/32/49/19/625324919.db2.gz UPCBNYGPLCWIAU-BTFPBAQTSA-N 2 1 275.396 0.254 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026044900 625324923 /nfs/dbraw/zinc/32/49/23/625324923.db2.gz UPCBNYGPLCWIAU-BTFPBAQTSA-N 2 1 275.396 0.254 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001026043660 625326156 /nfs/dbraw/zinc/32/61/56/625326156.db2.gz ADKDYSBMJOYULQ-XPABHHOTSA-N 2 1 277.412 0.807 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026043660 625326159 /nfs/dbraw/zinc/32/61/59/625326159.db2.gz ADKDYSBMJOYULQ-XPABHHOTSA-N 2 1 277.412 0.807 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026043660 625326161 /nfs/dbraw/zinc/32/61/61/625326161.db2.gz ADKDYSBMJOYULQ-XPABHHOTSA-N 2 1 277.412 0.807 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]12 ZINC001026315829 625396298 /nfs/dbraw/zinc/39/62/98/625396298.db2.gz UBYKEEUHGMACQV-QLFBSQMISA-N 2 1 286.379 0.651 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001022785881 622751258 /nfs/dbraw/zinc/75/12/58/622751258.db2.gz JPVWMVHADUGNJM-BETUJISGSA-N 2 1 274.368 0.877 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023380458 623019070 /nfs/dbraw/zinc/01/90/70/623019070.db2.gz ZLQLYILWWUGBKL-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023755340 623130916 /nfs/dbraw/zinc/13/09/16/623130916.db2.gz HZCAJXJEYQUURN-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023755340 623130921 /nfs/dbraw/zinc/13/09/21/623130921.db2.gz HZCAJXJEYQUURN-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023755340 623130934 /nfs/dbraw/zinc/13/09/34/623130934.db2.gz HZCAJXJEYQUURN-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023755340 623130941 /nfs/dbraw/zinc/13/09/41/623130941.db2.gz HZCAJXJEYQUURN-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001024801294 623447611 /nfs/dbraw/zinc/44/76/11/623447611.db2.gz MFNCPALKQMANPP-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024801294 623447612 /nfs/dbraw/zinc/44/76/12/623447612.db2.gz MFNCPALKQMANPP-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781600 623881845 /nfs/dbraw/zinc/88/18/45/623881845.db2.gz KWNWATZKSAMYNO-SUJAAXHWSA-N 2 1 287.407 0.540 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781600 623881846 /nfs/dbraw/zinc/88/18/46/623881846.db2.gz KWNWATZKSAMYNO-SUJAAXHWSA-N 2 1 287.407 0.540 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781600 623881847 /nfs/dbraw/zinc/88/18/47/623881847.db2.gz KWNWATZKSAMYNO-SUJAAXHWSA-N 2 1 287.407 0.540 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021043495 624650141 /nfs/dbraw/zinc/65/01/41/624650141.db2.gz AKIGWUKIJXZKHT-AVGNSLFASA-N 2 1 251.374 0.751 20 30 CCEDMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261872723 624836065 /nfs/dbraw/zinc/83/60/65/624836065.db2.gz PGWGYOOYFLAYSZ-QWHCGFSZSA-N 2 1 268.405 0.944 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001022342040 624931331 /nfs/dbraw/zinc/93/13/31/624931331.db2.gz VSQKUJWOPSNPMP-PHIMTYICSA-N 2 1 276.340 0.220 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001022350726 624933144 /nfs/dbraw/zinc/93/31/44/624933144.db2.gz NTHDQBDTUCKSGI-ZNMIVQPWSA-N 2 1 277.412 0.977 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001009592186 625860982 /nfs/dbraw/zinc/86/09/82/625860982.db2.gz GXFDIEGVTYKUPE-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001009592186 625860985 /nfs/dbraw/zinc/86/09/85/625860985.db2.gz GXFDIEGVTYKUPE-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009592186 625860986 /nfs/dbraw/zinc/86/09/86/625860986.db2.gz GXFDIEGVTYKUPE-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009592186 625860991 /nfs/dbraw/zinc/86/09/91/625860991.db2.gz GXFDIEGVTYKUPE-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP CC[NH+]=C(NCCO)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261743874 631566411 /nfs/dbraw/zinc/56/64/11/631566411.db2.gz KYRSHWXIZLXJAE-CMPLNLGQSA-N 2 1 254.378 0.017 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007352469 650074912 /nfs/dbraw/zinc/07/49/12/650074912.db2.gz ZBGQXCVXTDZOFM-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007352469 650074914 /nfs/dbraw/zinc/07/49/14/650074914.db2.gz ZBGQXCVXTDZOFM-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989491144 633317525 /nfs/dbraw/zinc/31/75/25/633317525.db2.gz UKRHLADFAWOTSI-UHFFFAOYSA-N 2 1 261.369 0.250 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989491144 633317527 /nfs/dbraw/zinc/31/75/27/633317527.db2.gz UKRHLADFAWOTSI-UHFFFAOYSA-N 2 1 261.369 0.250 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCCO1 ZINC000072720061 638764605 /nfs/dbraw/zinc/76/46/05/638764605.db2.gz QOCSEMRCDNIRDG-JSGCOSHPSA-N 2 1 280.416 0.815 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC000996640754 638825942 /nfs/dbraw/zinc/82/59/42/638825942.db2.gz BRODTBHTFBNJPY-ZIAGYGMSSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC000996640754 638825943 /nfs/dbraw/zinc/82/59/43/638825943.db2.gz BRODTBHTFBNJPY-ZIAGYGMSSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](C)O)CC1 ZINC000996686442 638828964 /nfs/dbraw/zinc/82/89/64/638828964.db2.gz UAJYMKPJXCCYTN-ZFWWWQNUSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](C)O)CC1 ZINC000996686442 638828966 /nfs/dbraw/zinc/82/89/66/638828966.db2.gz UAJYMKPJXCCYTN-ZFWWWQNUSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997507213 638873931 /nfs/dbraw/zinc/87/39/31/638873931.db2.gz BWYSBNOEFMGGJI-DZGCQCFKSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999509003 638983730 /nfs/dbraw/zinc/98/37/30/638983730.db2.gz IMEJQMQPJHZYMT-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000999712293 638994350 /nfs/dbraw/zinc/99/43/50/638994350.db2.gz HVCFGOYLXSPCOY-CYBMUJFWSA-N 2 1 260.341 0.405 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001000685763 639151855 /nfs/dbraw/zinc/15/18/55/639151855.db2.gz AHKSDDLTZSZBNM-MRXNPFEDSA-N 2 1 287.407 0.710 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001833249 639343235 /nfs/dbraw/zinc/34/32/35/639343235.db2.gz JYABQUOIFMCBMF-UKRRQHHQSA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014909346 650502714 /nfs/dbraw/zinc/50/27/14/650502714.db2.gz LJJDCGWXBYYWFW-CQSZACIVSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014909346 650502716 /nfs/dbraw/zinc/50/27/16/650502716.db2.gz LJJDCGWXBYYWFW-CQSZACIVSA-N 2 1 275.396 0.686 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015090174 650526967 /nfs/dbraw/zinc/52/69/67/650526967.db2.gz PLBOZMNQJDCKAR-ZDUSSCGKSA-N 2 1 263.385 0.991 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015090174 650526971 /nfs/dbraw/zinc/52/69/71/650526971.db2.gz PLBOZMNQJDCKAR-ZDUSSCGKSA-N 2 1 263.385 0.991 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387538 650561770 /nfs/dbraw/zinc/56/17/70/650561770.db2.gz MHCGYJUBBFTZNB-HUUCEWRRSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387538 650561772 /nfs/dbraw/zinc/56/17/72/650561772.db2.gz MHCGYJUBBFTZNB-HUUCEWRRSA-N 2 1 275.396 0.685 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015998881 650672466 /nfs/dbraw/zinc/67/24/66/650672466.db2.gz RFGLFAXFQXJTJO-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015998881 650672469 /nfs/dbraw/zinc/67/24/69/650672469.db2.gz RFGLFAXFQXJTJO-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015998881 650672478 /nfs/dbraw/zinc/67/24/78/650672478.db2.gz RFGLFAXFQXJTJO-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001018269308 650851229 /nfs/dbraw/zinc/85/12/29/650851229.db2.gz FNCMSRSXESFRGO-GASCZTMLSA-N 2 1 275.396 0.781 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001018269308 650851231 /nfs/dbraw/zinc/85/12/31/650851231.db2.gz FNCMSRSXESFRGO-GASCZTMLSA-N 2 1 275.396 0.781 20 30 CCEDMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000848460663 643643388 /nfs/dbraw/zinc/64/33/88/643643388.db2.gz MPZMOUFOOYNLKH-CHWSQXEVSA-N 2 1 266.389 0.998 20 30 CCEDMP N#CCC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000849026119 643703695 /nfs/dbraw/zinc/70/36/95/643703695.db2.gz WXKRAGSMLRKHFH-UHFFFAOYSA-N 2 1 279.388 0.517 20 30 CCEDMP C[C@]1(F)C[NH2+]CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852881111 644040548 /nfs/dbraw/zinc/04/05/48/644040548.db2.gz HTXREHJRIHVLLY-AWEZNQCLSA-N 2 1 267.348 0.149 20 30 CCEDMP N#CCCNC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878744329 646972250 /nfs/dbraw/zinc/97/22/50/646972250.db2.gz RQGRCMYVQFMYFG-UHFFFAOYSA-N 2 1 287.367 0.624 20 30 CCEDMP N#CCCNC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878744329 646972254 /nfs/dbraw/zinc/97/22/54/646972254.db2.gz RQGRCMYVQFMYFG-UHFFFAOYSA-N 2 1 287.367 0.624 20 30 CCEDMP CCCNC(=[NH2+])NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303779627 649824908 /nfs/dbraw/zinc/82/49/08/649824908.db2.gz KSEUXABOCFEYIB-LBPRGKRZSA-N 2 1 256.394 0.658 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000303879504 649826089 /nfs/dbraw/zinc/82/60/89/649826089.db2.gz GOZXALKIMXDEIZ-GFCCVEGCSA-N 2 1 268.405 0.802 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Cn1cccn1 ZINC000303898159 649826663 /nfs/dbraw/zinc/82/66/63/649826663.db2.gz VJVPAQHXCKKNBV-KBPBESRZSA-N 2 1 292.431 0.908 20 30 CCEDMP CCN(CC)C(=[NH2+])NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000303968530 649827279 /nfs/dbraw/zinc/82/72/79/649827279.db2.gz ARXWOXSASNNXDH-LBPRGKRZSA-N 2 1 283.420 0.230 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000305048271 649840852 /nfs/dbraw/zinc/84/08/52/649840852.db2.gz ZCNYNMBCNLVOIM-CHWSQXEVSA-N 2 1 270.421 0.904 20 30 CCEDMP C=CCC[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001266313782 790489350 /nfs/dbraw/zinc/48/93/50/790489350.db2.gz OHSWYLOLNNZHDK-UHFFFAOYSA-N 2 1 253.390 0.952 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266339838 790543903 /nfs/dbraw/zinc/54/39/03/790543903.db2.gz YXKJLNVBSNJNKO-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266339838 790543896 /nfs/dbraw/zinc/54/38/96/790543896.db2.gz YXKJLNVBSNJNKO-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266432092 790692174 /nfs/dbraw/zinc/69/21/74/790692174.db2.gz QYZQLPKTSHQQNJ-ZDUSSCGKSA-N 2 1 253.390 0.644 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266545239 790906455 /nfs/dbraw/zinc/90/64/55/790906455.db2.gz NYKUZANEXMLKRQ-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001277476141 805703437 /nfs/dbraw/zinc/70/34/37/805703437.db2.gz ODVLOKHMZLMQMO-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001267020555 791456350 /nfs/dbraw/zinc/45/63/50/791456350.db2.gz IIUFPELDALLFHK-HNNXBMFYSA-N 2 1 293.411 0.313 20 30 CCEDMP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267033262 791466175 /nfs/dbraw/zinc/46/61/75/791466175.db2.gz SFSVEURDVWDFAR-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267201158 791665005 /nfs/dbraw/zinc/66/50/05/791665005.db2.gz WUOFFLBOPYRFGK-AWEZNQCLSA-N 2 1 283.416 0.270 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267255188 793252870 /nfs/dbraw/zinc/25/28/70/793252870.db2.gz BSUVIOIZBBLQPG-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH+](CC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267255188 793252878 /nfs/dbraw/zinc/25/28/78/793252878.db2.gz BSUVIOIZBBLQPG-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH+](CC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267255188 793252885 /nfs/dbraw/zinc/25/28/85/793252885.db2.gz BSUVIOIZBBLQPG-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP N#Cc1ccnc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234988895 806334913 /nfs/dbraw/zinc/33/49/13/806334913.db2.gz OKKDYKAYAFFXMW-AWEZNQCLSA-N 2 1 257.341 0.091 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001121929241 799097902 /nfs/dbraw/zinc/09/79/02/799097902.db2.gz ZVWXRPZVGZLNRW-OAHLLOKOSA-N 2 1 296.459 0.814 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150731405 800362716 /nfs/dbraw/zinc/36/27/16/800362716.db2.gz KQROXVPNDFZKEJ-CQSZACIVSA-N 2 1 292.383 0.585 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150731405 800362723 /nfs/dbraw/zinc/36/27/23/800362723.db2.gz KQROXVPNDFZKEJ-CQSZACIVSA-N 2 1 292.383 0.585 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001153320741 800621119 /nfs/dbraw/zinc/62/11/19/800621119.db2.gz PKZINZDHFNMFPC-UHFFFAOYSA-N 2 1 273.380 0.848 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001153320741 800621122 /nfs/dbraw/zinc/62/11/22/800621122.db2.gz PKZINZDHFNMFPC-UHFFFAOYSA-N 2 1 273.380 0.848 20 30 CCEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013888 801287736 /nfs/dbraw/zinc/28/77/36/801287736.db2.gz OZLRIXKPOXZHAQ-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013888 801287739 /nfs/dbraw/zinc/28/77/39/801287739.db2.gz OZLRIXKPOXZHAQ-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001157013888 801287745 /nfs/dbraw/zinc/28/77/45/801287745.db2.gz OZLRIXKPOXZHAQ-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001157013888 801287748 /nfs/dbraw/zinc/28/77/48/801287748.db2.gz OZLRIXKPOXZHAQ-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP COc1nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)ncc1C#N ZINC001160512452 801956705 /nfs/dbraw/zinc/95/67/05/801956705.db2.gz VQVMQAOWABGOFQ-AWEZNQCLSA-N 2 1 288.355 0.192 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164536742 802758392 /nfs/dbraw/zinc/75/83/92/802758392.db2.gz YOIVHNOFWXUCGX-CQSZACIVSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537075 812828087 /nfs/dbraw/zinc/82/80/87/812828087.db2.gz GTYZYEWKZCSWJU-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537075 812828098 /nfs/dbraw/zinc/82/80/98/812828098.db2.gz GTYZYEWKZCSWJU-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537075 812828105 /nfs/dbraw/zinc/82/81/05/812828105.db2.gz GTYZYEWKZCSWJU-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001276468013 803085795 /nfs/dbraw/zinc/08/57/95/803085795.db2.gz FGZUYWPIDIDBMA-LBPRGKRZSA-N 2 1 253.390 0.949 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001206940259 803315238 /nfs/dbraw/zinc/31/52/38/803315238.db2.gz MXIQQPPXMHRVFD-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206940259 803315244 /nfs/dbraw/zinc/31/52/44/803315244.db2.gz MXIQQPPXMHRVFD-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410615 803512557 /nfs/dbraw/zinc/51/25/57/803512557.db2.gz BSEAFIAHYFWWAH-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410615 803512561 /nfs/dbraw/zinc/51/25/61/803512561.db2.gz BSEAFIAHYFWWAH-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674061 803656678 /nfs/dbraw/zinc/65/66/78/803656678.db2.gz MNKIKPDPNQAFFJ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211025592 803665201 /nfs/dbraw/zinc/66/52/01/803665201.db2.gz MNIOFSZLBACQKK-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211025592 803665204 /nfs/dbraw/zinc/66/52/04/803665204.db2.gz MNIOFSZLBACQKK-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211025592 803665206 /nfs/dbraw/zinc/66/52/06/803665206.db2.gz MNIOFSZLBACQKK-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215540017 803818887 /nfs/dbraw/zinc/81/88/87/803818887.db2.gz GMSDYVYRBVYPNN-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001216511028 803840907 /nfs/dbraw/zinc/84/09/07/803840907.db2.gz IXUWFSBANLFJKC-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP N=C(c1ccccc1N)N(O)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218968980 804169319 /nfs/dbraw/zinc/16/93/19/804169319.db2.gz WPFGHXYEIDGAEZ-GFCCVEGCSA-N 2 1 291.355 0.139 20 30 CCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220582792 804630334 /nfs/dbraw/zinc/63/03/34/804630334.db2.gz DVHFLGZDNDJSFD-KFWWJZLASA-N 2 1 297.443 0.844 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)CNC1CC[NH2+]CC1 ZINC001220868160 804684295 /nfs/dbraw/zinc/68/42/95/804684295.db2.gz DABUCKJPRMFLIE-AWEZNQCLSA-N 2 1 280.416 0.095 20 30 CCEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001226722036 805271235 /nfs/dbraw/zinc/27/12/35/805271235.db2.gz DTIOKFICKPXUBE-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001226722036 805271243 /nfs/dbraw/zinc/27/12/43/805271243.db2.gz DTIOKFICKPXUBE-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246305784 807217572 /nfs/dbraw/zinc/21/75/72/807217572.db2.gz JIUJKFRMJRHUHR-YJNKXOJESA-N 3 1 295.427 0.801 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001088750262 815129177 /nfs/dbraw/zinc/12/91/77/815129177.db2.gz DSTOALYZFSBLSY-KGLIPLIRSA-N 2 1 274.368 0.794 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001088750262 815129184 /nfs/dbraw/zinc/12/91/84/815129184.db2.gz DSTOALYZFSBLSY-KGLIPLIRSA-N 2 1 274.368 0.794 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC001251708818 807697022 /nfs/dbraw/zinc/69/70/22/807697022.db2.gz XXAPGDUVRKHXJL-UHFFFAOYSA-N 2 1 294.443 0.973 20 30 CCEDMP C=CCOC[C@@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001252469905 807879613 /nfs/dbraw/zinc/87/96/13/807879613.db2.gz DPOKYXDYMLPNDH-INIZCTEOSA-N 2 1 297.443 0.263 20 30 CCEDMP C=C[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001253582276 808090531 /nfs/dbraw/zinc/09/05/31/808090531.db2.gz MTZORFVBHHYSNE-QPSCCSFWSA-N 2 1 291.399 0.220 20 30 CCEDMP C=C[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001253582276 808090539 /nfs/dbraw/zinc/09/05/39/808090539.db2.gz MTZORFVBHHYSNE-QPSCCSFWSA-N 2 1 291.399 0.220 20 30 CCEDMP C=C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001253582276 808090547 /nfs/dbraw/zinc/09/05/47/808090547.db2.gz MTZORFVBHHYSNE-QPSCCSFWSA-N 2 1 291.399 0.220 20 30 CCEDMP C=C[C@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001253582276 808090555 /nfs/dbraw/zinc/09/05/55/808090555.db2.gz MTZORFVBHHYSNE-QPSCCSFWSA-N 2 1 291.399 0.220 20 30 CCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001278787912 808244896 /nfs/dbraw/zinc/24/48/96/808244896.db2.gz XRZRKDHEMSZYPM-GDBMZVCRSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001278787912 808244900 /nfs/dbraw/zinc/24/49/00/808244900.db2.gz XRZRKDHEMSZYPM-GDBMZVCRSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001278787912 808244906 /nfs/dbraw/zinc/24/49/06/808244906.db2.gz XRZRKDHEMSZYPM-GDBMZVCRSA-N 2 1 293.411 0.047 20 30 CCEDMP C[N@H+]1CCC[C@@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)CC1 ZINC001254509139 808248292 /nfs/dbraw/zinc/24/82/92/808248292.db2.gz XCINUZBCNFQJTR-CYBMUJFWSA-N 2 1 274.368 0.975 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278787387 808249018 /nfs/dbraw/zinc/24/90/18/808249018.db2.gz QZMALIQJXDKOSZ-HOCLYGCPSA-N 2 1 295.427 0.149 20 30 CCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cncc1C ZINC001278865338 808355801 /nfs/dbraw/zinc/35/58/01/808355801.db2.gz VWZYTKNZZSMAAL-CQSZACIVSA-N 2 1 294.399 0.519 20 30 CCEDMP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001278865338 808355808 /nfs/dbraw/zinc/35/58/08/808355808.db2.gz VWZYTKNZZSMAAL-CQSZACIVSA-N 2 1 294.399 0.519 20 30 CCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001278865338 808355815 /nfs/dbraw/zinc/35/58/15/808355815.db2.gz VWZYTKNZZSMAAL-CQSZACIVSA-N 2 1 294.399 0.519 20 30 CCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001278865494 808359099 /nfs/dbraw/zinc/35/90/99/808359099.db2.gz ZMNPNZIHGVVMSU-GJZGRUSLSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001278865494 808359108 /nfs/dbraw/zinc/35/91/08/808359108.db2.gz ZMNPNZIHGVVMSU-GJZGRUSLSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001278865494 808359115 /nfs/dbraw/zinc/35/91/15/808359115.db2.gz ZMNPNZIHGVVMSU-GJZGRUSLSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278872649 808407338 /nfs/dbraw/zinc/40/73/38/808407338.db2.gz NXNXCPGLZDPIGT-UHFFFAOYSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001278873501 808411052 /nfs/dbraw/zinc/41/10/52/808411052.db2.gz JFDPGRZLBSVZRQ-ZIAGYGMSSA-N 2 1 285.432 0.510 20 30 CCEDMP N#Cc1ncn(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC001261177557 808920651 /nfs/dbraw/zinc/92/06/51/808920651.db2.gz WRURSSNPTIVBGO-RYUDHWBXSA-N 2 1 260.345 0.366 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001264706914 809673754 /nfs/dbraw/zinc/67/37/54/809673754.db2.gz XRKNPRRNEUAVNL-RDBSUJKOSA-N 2 1 265.401 0.785 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001265310587 809755646 /nfs/dbraw/zinc/75/56/46/809755646.db2.gz RDTZGHBZAJMCJJ-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001279408432 809977095 /nfs/dbraw/zinc/97/70/95/809977095.db2.gz BLVRSMAVQDZRJQ-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088836445 815368522 /nfs/dbraw/zinc/36/85/22/815368522.db2.gz XXAPYWKDGGFJAQ-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077023628 815434889 /nfs/dbraw/zinc/43/48/89/815434889.db2.gz KWYKGYSJYWYDHS-KBUPBQIOSA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023628 815434891 /nfs/dbraw/zinc/43/48/91/815434891.db2.gz KWYKGYSJYWYDHS-KBUPBQIOSA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023628 815434894 /nfs/dbraw/zinc/43/48/94/815434894.db2.gz KWYKGYSJYWYDHS-KBUPBQIOSA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279746968 811653394 /nfs/dbraw/zinc/65/33/94/811653394.db2.gz YAPFWTFWTBXWIU-AWEZNQCLSA-N 2 1 283.416 0.457 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001268033644 812052513 /nfs/dbraw/zinc/05/25/13/812052513.db2.gz WUVAHEJBGRJQRI-CYBMUJFWSA-N 2 1 263.385 0.732 20 30 CCEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001268150896 812308987 /nfs/dbraw/zinc/30/89/87/812308987.db2.gz NTOPGJGGXMHUPS-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001268150896 812308996 /nfs/dbraw/zinc/30/89/96/812308996.db2.gz NTOPGJGGXMHUPS-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001268150896 812309006 /nfs/dbraw/zinc/30/90/06/812309006.db2.gz NTOPGJGGXMHUPS-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001268214632 812367917 /nfs/dbraw/zinc/36/79/17/812367917.db2.gz QZGIJFBVYHWIPL-CQSZACIVSA-N 2 1 276.384 0.945 20 30 CCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268249579 812415921 /nfs/dbraw/zinc/41/59/21/812415921.db2.gz WDUZRTLYAJUUAE-OAHLLOKOSA-N 2 1 297.443 0.613 20 30 CCEDMP C=CC[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001268409087 812551422 /nfs/dbraw/zinc/55/14/22/812551422.db2.gz ULLPIFODYPYLIG-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268423975 812560301 /nfs/dbraw/zinc/56/03/01/812560301.db2.gz MAFLAOXOXSMWMI-QWHCGFSZSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268423975 812560304 /nfs/dbraw/zinc/56/03/04/812560304.db2.gz MAFLAOXOXSMWMI-QWHCGFSZSA-N 2 1 269.389 0.378 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207684819 812562915 /nfs/dbraw/zinc/56/29/15/812562915.db2.gz UGHFWEFCMZLUMA-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028545894 812834198 /nfs/dbraw/zinc/83/41/98/812834198.db2.gz UQYRWTCRKBRFHW-DZGCQCFKSA-N 2 1 277.412 0.952 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001028580380 812863263 /nfs/dbraw/zinc/86/32/63/812863263.db2.gz VNSJFIRZAYUFAS-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001028580380 812863271 /nfs/dbraw/zinc/86/32/71/812863271.db2.gz VNSJFIRZAYUFAS-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001028580380 812863279 /nfs/dbraw/zinc/86/32/79/812863279.db2.gz VNSJFIRZAYUFAS-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001268693664 813012227 /nfs/dbraw/zinc/01/22/27/813012227.db2.gz BEJKPIHASCHZKX-KBPBESRZSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001028636182 813071947 /nfs/dbraw/zinc/07/19/47/813071947.db2.gz LLTDIFIDIWKSPD-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028636182 813071955 /nfs/dbraw/zinc/07/19/55/813071955.db2.gz LLTDIFIDIWKSPD-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028636182 813071964 /nfs/dbraw/zinc/07/19/64/813071964.db2.gz LLTDIFIDIWKSPD-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001028636183 813072181 /nfs/dbraw/zinc/07/21/81/813072181.db2.gz LLTDIFIDIWKSPD-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028636183 813072189 /nfs/dbraw/zinc/07/21/89/813072189.db2.gz LLTDIFIDIWKSPD-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028636183 813072196 /nfs/dbraw/zinc/07/21/96/813072196.db2.gz LLTDIFIDIWKSPD-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001268878938 813129901 /nfs/dbraw/zinc/12/99/01/813129901.db2.gz HZIOLTGWNRQEMK-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#CCOC ZINC001269453544 813375945 /nfs/dbraw/zinc/37/59/45/813375945.db2.gz DVHMIFGHGXOHIE-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001269840276 813528107 /nfs/dbraw/zinc/52/81/07/813528107.db2.gz YFNJWHTXDSYKSM-UHFFFAOYSA-N 2 1 251.374 0.494 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028987226 813727161 /nfs/dbraw/zinc/72/71/61/813727161.db2.gz WKINHRDIKWGJPJ-UONOGXRCSA-N 2 1 265.401 0.952 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028987226 813727167 /nfs/dbraw/zinc/72/71/67/813727167.db2.gz WKINHRDIKWGJPJ-UONOGXRCSA-N 2 1 265.401 0.952 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028987226 813727174 /nfs/dbraw/zinc/72/71/74/813727174.db2.gz WKINHRDIKWGJPJ-UONOGXRCSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087827620 814226513 /nfs/dbraw/zinc/22/65/13/814226513.db2.gz BXGPKKAKNHEBRU-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087827620 814226519 /nfs/dbraw/zinc/22/65/19/814226519.db2.gz BXGPKKAKNHEBRU-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087827620 814226524 /nfs/dbraw/zinc/22/65/24/814226524.db2.gz BXGPKKAKNHEBRU-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908703 814265944 /nfs/dbraw/zinc/26/59/44/814265944.db2.gz KZLBSGWQWCCBLJ-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908703 814265951 /nfs/dbraw/zinc/26/59/51/814265951.db2.gz KZLBSGWQWCCBLJ-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908703 814265956 /nfs/dbraw/zinc/26/59/56/814265956.db2.gz KZLBSGWQWCCBLJ-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920415 814271388 /nfs/dbraw/zinc/27/13/88/814271388.db2.gz NVNJKQXSOOVMTQ-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920415 814271390 /nfs/dbraw/zinc/27/13/90/814271390.db2.gz NVNJKQXSOOVMTQ-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920415 814271391 /nfs/dbraw/zinc/27/13/91/814271391.db2.gz NVNJKQXSOOVMTQ-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920415 814271394 /nfs/dbraw/zinc/27/13/94/814271394.db2.gz NVNJKQXSOOVMTQ-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001030348623 815988349 /nfs/dbraw/zinc/98/83/49/815988349.db2.gz VMELLMCVOBKDGU-KGLIPLIRSA-N 2 1 279.384 0.226 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030348623 815988351 /nfs/dbraw/zinc/98/83/51/815988351.db2.gz VMELLMCVOBKDGU-KGLIPLIRSA-N 2 1 279.384 0.226 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C[C@H]1C ZINC001106266495 816700443 /nfs/dbraw/zinc/70/04/43/816700443.db2.gz MZXVOTCPMMEBKS-OAGGEKHMSA-N 2 1 287.407 0.401 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C[C@H]1C ZINC001106266495 816700446 /nfs/dbraw/zinc/70/04/46/816700446.db2.gz MZXVOTCPMMEBKS-OAGGEKHMSA-N 2 1 287.407 0.401 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032027244 817559780 /nfs/dbraw/zinc/55/97/80/817559780.db2.gz QIOYGYREEPZARI-HNNXBMFYSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032027244 817559786 /nfs/dbraw/zinc/55/97/86/817559786.db2.gz QIOYGYREEPZARI-HNNXBMFYSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986270 817574185 /nfs/dbraw/zinc/57/41/85/817574185.db2.gz IMHUMWZNAPCIAF-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127706566 817577583 /nfs/dbraw/zinc/57/75/83/817577583.db2.gz NHPFYEKXEPQWFY-QWHCGFSZSA-N 2 1 251.374 0.446 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001032205950 817702415 /nfs/dbraw/zinc/70/24/15/817702415.db2.gz NEOJHUUSINVXEK-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001032205950 817702421 /nfs/dbraw/zinc/70/24/21/817702421.db2.gz NEOJHUUSINVXEK-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032960618 818389511 /nfs/dbraw/zinc/38/95/11/818389511.db2.gz XVWLAKPNTLJJCH-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032960618 818389517 /nfs/dbraw/zinc/38/95/17/818389517.db2.gz XVWLAKPNTLJJCH-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032960618 818389530 /nfs/dbraw/zinc/38/95/30/818389530.db2.gz XVWLAKPNTLJJCH-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032960618 818389533 /nfs/dbraw/zinc/38/95/33/818389533.db2.gz XVWLAKPNTLJJCH-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833406 818529647 /nfs/dbraw/zinc/52/96/47/818529647.db2.gz ZJMIHMFLQJZGEO-CABCVRRESA-N 2 1 295.427 0.456 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580459 818837088 /nfs/dbraw/zinc/83/70/88/818837088.db2.gz FBKXGBSZEVAFGZ-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033580459 818837093 /nfs/dbraw/zinc/83/70/93/818837093.db2.gz FBKXGBSZEVAFGZ-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033580459 818837099 /nfs/dbraw/zinc/83/70/99/818837099.db2.gz FBKXGBSZEVAFGZ-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659866 818881365 /nfs/dbraw/zinc/88/13/65/818881365.db2.gz ZIDKGCGXVHFZCJ-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033831714 818962180 /nfs/dbraw/zinc/96/21/80/818962180.db2.gz XJLHPEJLWKDIOQ-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034149692 819096451 /nfs/dbraw/zinc/09/64/51/819096451.db2.gz ZFXWIZZHHLJPDD-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034149692 819096457 /nfs/dbraw/zinc/09/64/57/819096457.db2.gz ZFXWIZZHHLJPDD-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149692 819096460 /nfs/dbraw/zinc/09/64/60/819096460.db2.gz ZFXWIZZHHLJPDD-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149692 819096465 /nfs/dbraw/zinc/09/64/65/819096465.db2.gz ZFXWIZZHHLJPDD-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C#N ZINC000702562869 819146270 /nfs/dbraw/zinc/14/62/70/819146270.db2.gz NVGGVPGJSLSDSU-HNNXBMFYSA-N 2 1 275.352 0.723 20 30 CCEDMP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C#N ZINC000702562869 819146276 /nfs/dbraw/zinc/14/62/76/819146276.db2.gz NVGGVPGJSLSDSU-HNNXBMFYSA-N 2 1 275.352 0.723 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034385717 819190095 /nfs/dbraw/zinc/19/00/95/819190095.db2.gz NIGFVEKUUOEOOH-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034489377 819221161 /nfs/dbraw/zinc/22/11/61/819221161.db2.gz BXUCKVJALLFIDJ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035669530 819606793 /nfs/dbraw/zinc/60/67/93/819606793.db2.gz SFVSKGBSTKDYDX-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855845 820855262 /nfs/dbraw/zinc/85/52/62/820855262.db2.gz SPIIISRVNLEKBV-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855845 820855276 /nfs/dbraw/zinc/85/52/76/820855276.db2.gz SPIIISRVNLEKBV-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001081855845 820855285 /nfs/dbraw/zinc/85/52/85/820855285.db2.gz SPIIISRVNLEKBV-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001081855845 820855295 /nfs/dbraw/zinc/85/52/95/820855295.db2.gz SPIIISRVNLEKBV-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326649 820939827 /nfs/dbraw/zinc/93/98/27/820939827.db2.gz LXNREXWSVCEKRH-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326649 820939839 /nfs/dbraw/zinc/93/98/39/820939839.db2.gz LXNREXWSVCEKRH-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326649 820939849 /nfs/dbraw/zinc/93/98/49/820939849.db2.gz LXNREXWSVCEKRH-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001082544270 820995999 /nfs/dbraw/zinc/99/59/99/820995999.db2.gz TUHNNMRYNHNJIL-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC)C1 ZINC001082568790 821000454 /nfs/dbraw/zinc/00/04/54/821000454.db2.gz RRDAEMOEIYDNQD-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC)C1 ZINC001082568790 821000464 /nfs/dbraw/zinc/00/04/64/821000464.db2.gz RRDAEMOEIYDNQD-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082859750 821047723 /nfs/dbraw/zinc/04/77/23/821047723.db2.gz CJZSOBJVAWAVFY-HZSPNIEDSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662386 821341475 /nfs/dbraw/zinc/34/14/75/821341475.db2.gz HYVKJAQQVHGBIL-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662386 821341484 /nfs/dbraw/zinc/34/14/84/821341484.db2.gz HYVKJAQQVHGBIL-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662386 821341492 /nfs/dbraw/zinc/34/14/92/821341492.db2.gz HYVKJAQQVHGBIL-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531014 821773109 /nfs/dbraw/zinc/77/31/09/821773109.db2.gz KODGAGKNNSGFDP-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531014 821773118 /nfs/dbraw/zinc/77/31/18/821773118.db2.gz KODGAGKNNSGFDP-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531014 821773126 /nfs/dbraw/zinc/77/31/26/821773126.db2.gz KODGAGKNNSGFDP-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531014 821773132 /nfs/dbraw/zinc/77/31/32/821773132.db2.gz KODGAGKNNSGFDP-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085604784 821847011 /nfs/dbraw/zinc/84/70/11/821847011.db2.gz RTJYJDMVMKODLD-HZSPNIEDSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085604784 821846979 /nfs/dbraw/zinc/84/69/79/821846979.db2.gz RTJYJDMVMKODLD-HZSPNIEDSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085604784 821846987 /nfs/dbraw/zinc/84/69/87/821846987.db2.gz RTJYJDMVMKODLD-HZSPNIEDSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085604784 821847002 /nfs/dbraw/zinc/84/70/02/821847002.db2.gz RTJYJDMVMKODLD-HZSPNIEDSA-N 2 1 263.385 0.493 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988306 821870196 /nfs/dbraw/zinc/87/01/96/821870196.db2.gz GOYTXTOOFLYXAR-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086371683 822229575 /nfs/dbraw/zinc/22/95/75/822229575.db2.gz SNUFQVULSGAKHN-AJNGGQMLSA-N 2 1 293.411 0.520 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](F)CC ZINC001129771055 837558270 /nfs/dbraw/zinc/55/82/70/837558270.db2.gz PGVGXACOEKKYBJ-OLZOCXBDSA-N 2 1 269.364 0.538 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](F)CC ZINC001129771055 837558273 /nfs/dbraw/zinc/55/82/73/837558273.db2.gz PGVGXACOEKKYBJ-OLZOCXBDSA-N 2 1 269.364 0.538 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129839607 837571537 /nfs/dbraw/zinc/57/15/37/837571537.db2.gz CBLLHOSWXQKRFK-CQSZACIVSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182387 837714423 /nfs/dbraw/zinc/71/44/23/837714423.db2.gz FWBSXGIYAFLPKF-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182387 837714429 /nfs/dbraw/zinc/71/44/29/837714429.db2.gz FWBSXGIYAFLPKF-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001108323485 835973083 /nfs/dbraw/zinc/97/30/83/835973083.db2.gz KGMVEEVSTFLXMR-INIZCTEOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001108323485 835973090 /nfs/dbraw/zinc/97/30/90/835973090.db2.gz KGMVEEVSTFLXMR-INIZCTEOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108323485 835973098 /nfs/dbraw/zinc/97/30/98/835973098.db2.gz KGMVEEVSTFLXMR-INIZCTEOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108323485 835973104 /nfs/dbraw/zinc/97/31/04/835973104.db2.gz KGMVEEVSTFLXMR-INIZCTEOSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132278 836726067 /nfs/dbraw/zinc/72/60/67/836726067.db2.gz RFYJXFLTWAIAPP-LSDHHAIUSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132278 836726075 /nfs/dbraw/zinc/72/60/75/836726075.db2.gz RFYJXFLTWAIAPP-LSDHHAIUSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132278 836726084 /nfs/dbraw/zinc/72/60/84/836726084.db2.gz RFYJXFLTWAIAPP-LSDHHAIUSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977646 836751407 /nfs/dbraw/zinc/75/14/07/836751407.db2.gz SSJAGENBSKOORQ-ILXRZTDVSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090491345 837893082 /nfs/dbraw/zinc/89/30/82/837893082.db2.gz ZRDRFXOSAUSCFZ-ZIAGYGMSSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681427 838173666 /nfs/dbraw/zinc/17/36/66/838173666.db2.gz BKVKALLXUJMBFA-HOCLYGCPSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132522233 838426145 /nfs/dbraw/zinc/42/61/45/838426145.db2.gz NFIACQIKDXISHU-ZIAGYGMSSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132522233 838426148 /nfs/dbraw/zinc/42/61/48/838426148.db2.gz NFIACQIKDXISHU-ZIAGYGMSSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132522233 838426149 /nfs/dbraw/zinc/42/61/49/838426149.db2.gz NFIACQIKDXISHU-ZIAGYGMSSA-N 2 1 265.401 0.929 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133865534 838756170 /nfs/dbraw/zinc/75/61/70/838756170.db2.gz FCPKJNSLEHHSPM-MWLCHTKSSA-N 2 1 259.781 0.642 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570754 839011726 /nfs/dbraw/zinc/01/17/26/839011726.db2.gz XCXUOMSIHRNXHK-UHFFFAOYSA-N 2 1 294.399 0.915 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135337172 839221441 /nfs/dbraw/zinc/22/14/41/839221441.db2.gz VNBLRSGZLVSOSQ-UHFFFAOYSA-N 2 1 275.780 0.167 20 30 CCEDMP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135692188 839363823 /nfs/dbraw/zinc/36/38/23/839363823.db2.gz GXWVBMJZHUCZGI-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135861130 839445214 /nfs/dbraw/zinc/44/52/14/839445214.db2.gz MOHTVTBVIBUTRQ-CABCVRRESA-N 2 1 297.443 0.851 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135979181 839486738 /nfs/dbraw/zinc/48/67/38/839486738.db2.gz DAHXSYSEJNNUPR-GJZGRUSLSA-N 2 1 297.443 0.851 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160273270 839742924 /nfs/dbraw/zinc/74/29/24/839742924.db2.gz KEEZNGBNXBISJD-OAHLLOKOSA-N 2 1 295.427 0.607 20 30 CCEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246491525 839872552 /nfs/dbraw/zinc/87/25/52/839872552.db2.gz SUIHNYLPILNJIZ-IUODEOHRSA-N 2 1 258.369 0.640 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCC[NH+]1CCSCC1 ZINC001144958668 840210260 /nfs/dbraw/zinc/21/02/60/840210260.db2.gz ORSKTHTYFXGLHJ-UHFFFAOYSA-N 2 1 257.403 0.269 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193548 841171192 /nfs/dbraw/zinc/17/11/92/841171192.db2.gz JOQUKGJWGUFHFQ-MGPQQGTHSA-N 2 1 263.385 0.255 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093193548 841171195 /nfs/dbraw/zinc/17/11/95/841171195.db2.gz JOQUKGJWGUFHFQ-MGPQQGTHSA-N 2 1 263.385 0.255 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093193548 841171196 /nfs/dbraw/zinc/17/11/96/841171196.db2.gz JOQUKGJWGUFHFQ-MGPQQGTHSA-N 2 1 263.385 0.255 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176991929 842480314 /nfs/dbraw/zinc/48/03/14/842480314.db2.gz FWYDLQBANMRKEC-CQSZACIVSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CCN(C(=O)[C@@H]1CC[N@H+]1CC)C1CC[NH+](C)CC1 ZINC001178739802 842913558 /nfs/dbraw/zinc/91/35/58/842913558.db2.gz RNSVUWQJIPIKLM-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+]1CC)C1CC[NH+](C)CC1 ZINC001178739802 842913564 /nfs/dbraw/zinc/91/35/64/842913564.db2.gz RNSVUWQJIPIKLM-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676197 843885005 /nfs/dbraw/zinc/88/50/05/843885005.db2.gz DSIIMVXWAWTHRM-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001183254800 843994347 /nfs/dbraw/zinc/99/43/47/843994347.db2.gz GJICQKFXAZNJPB-KGLIPLIRSA-N 2 1 286.379 0.974 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190444268 845400026 /nfs/dbraw/zinc/40/00/26/845400026.db2.gz QARLMQVSRSFJCV-KGLIPLIRSA-N 2 1 283.391 0.832 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192017043 845773495 /nfs/dbraw/zinc/77/34/95/845773495.db2.gz NLBWIQFVLFOALR-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193447154 846074685 /nfs/dbraw/zinc/07/46/85/846074685.db2.gz KZHXRMWBFHTCKR-YNEHKIRRSA-N 2 1 287.379 0.014 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193447154 846074691 /nfs/dbraw/zinc/07/46/91/846074691.db2.gz KZHXRMWBFHTCKR-YNEHKIRRSA-N 2 1 287.379 0.014 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193460374 846080222 /nfs/dbraw/zinc/08/02/22/846080222.db2.gz BHIXZFPVBUMEMJ-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193460374 846080233 /nfs/dbraw/zinc/08/02/33/846080233.db2.gz BHIXZFPVBUMEMJ-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193460374 846080243 /nfs/dbraw/zinc/08/02/43/846080243.db2.gz BHIXZFPVBUMEMJ-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194102089 846221607 /nfs/dbraw/zinc/22/16/07/846221607.db2.gz BNBXRCJOLRSBSS-MGPQQGTHSA-N 2 1 283.416 0.454 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194292729 846268720 /nfs/dbraw/zinc/26/87/20/846268720.db2.gz BWKVGHKQWSRIBN-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194292729 846268728 /nfs/dbraw/zinc/26/87/28/846268728.db2.gz BWKVGHKQWSRIBN-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194292729 846268738 /nfs/dbraw/zinc/26/87/38/846268738.db2.gz BWKVGHKQWSRIBN-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198282792 847077316 /nfs/dbraw/zinc/07/73/16/847077316.db2.gz IRJKAILUXOEPOG-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198282792 847077322 /nfs/dbraw/zinc/07/73/22/847077322.db2.gz IRJKAILUXOEPOG-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001198282792 847077329 /nfs/dbraw/zinc/07/73/29/847077329.db2.gz IRJKAILUXOEPOG-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198282792 847077335 /nfs/dbraw/zinc/07/73/35/847077335.db2.gz IRJKAILUXOEPOG-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057992 847215571 /nfs/dbraw/zinc/21/55/71/847215571.db2.gz ZCQWEVRDXXFOAK-HUUCEWRRSA-N 2 1 293.411 0.047 20 30 CCEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199942989 847475385 /nfs/dbraw/zinc/47/53/85/847475385.db2.gz CVZPXYLDJCOEAU-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199942989 847475391 /nfs/dbraw/zinc/47/53/91/847475391.db2.gz CVZPXYLDJCOEAU-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCNC(=O)[C@H]1CC12CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001273826775 847613667 /nfs/dbraw/zinc/61/36/67/847613667.db2.gz HBXWMDIGDDSVKJ-OAHLLOKOSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=C)C ZINC001274096527 848348305 /nfs/dbraw/zinc/34/83/05/848348305.db2.gz GGBVAYXERMYPKC-YVACAVLKSA-N 2 1 275.396 0.922 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=C)C ZINC001274096527 848348312 /nfs/dbraw/zinc/34/83/12/848348312.db2.gz GGBVAYXERMYPKC-YVACAVLKSA-N 2 1 275.396 0.922 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001275054261 848623753 /nfs/dbraw/zinc/62/37/53/848623753.db2.gz KUPNHRDWLKFIDY-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001275144355 848650888 /nfs/dbraw/zinc/65/08/88/848650888.db2.gz YLKVGUAQHBYRSJ-KGLIPLIRSA-N 2 1 265.401 0.883 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114775041 849393173 /nfs/dbraw/zinc/39/31/73/849393173.db2.gz ZFDNMLSOMLASHV-IMRBUKKESA-N 2 1 251.374 0.561 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccnn1C ZINC000305870737 849520219 /nfs/dbraw/zinc/52/02/19/849520219.db2.gz VBDWERPYGCDVGD-ZDUSSCGKSA-N 2 1 278.404 0.351 20 30 CCEDMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])CCCC#N ZINC000720886981 849558900 /nfs/dbraw/zinc/55/89/00/849558900.db2.gz HTXNFQXPRRYZII-RWMBFGLXSA-N 2 1 264.373 0.703 20 30 CCEDMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]([NH3+])CCCC#N ZINC000720886948 849559232 /nfs/dbraw/zinc/55/92/32/849559232.db2.gz HTXNFQXPRRYZII-FRRDWIJNSA-N 2 1 264.373 0.703 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785596 850502230 /nfs/dbraw/zinc/50/22/30/850502230.db2.gz JBDYNEWUFWKMIB-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785596 850502240 /nfs/dbraw/zinc/50/22/40/850502240.db2.gz JBDYNEWUFWKMIB-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785596 850502249 /nfs/dbraw/zinc/50/22/49/850502249.db2.gz JBDYNEWUFWKMIB-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042356916 850619393 /nfs/dbraw/zinc/61/93/93/850619393.db2.gz JLVYKNPFCPATEW-GJZGRUSLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044188605 851037186 /nfs/dbraw/zinc/03/71/86/851037186.db2.gz MMUXDYRZRUOGEJ-CYBMUJFWSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044188605 851037191 /nfs/dbraw/zinc/03/71/91/851037191.db2.gz MMUXDYRZRUOGEJ-CYBMUJFWSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046196155 851417590 /nfs/dbraw/zinc/41/75/90/851417590.db2.gz ACTDWHUJFATUJU-HIFRSBDPSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046196155 851417603 /nfs/dbraw/zinc/41/76/03/851417603.db2.gz ACTDWHUJFATUJU-HIFRSBDPSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046196155 851417614 /nfs/dbraw/zinc/41/76/14/851417614.db2.gz ACTDWHUJFATUJU-HIFRSBDPSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046196155 851417625 /nfs/dbraw/zinc/41/76/25/851417625.db2.gz ACTDWHUJFATUJU-HIFRSBDPSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047384839 851745546 /nfs/dbraw/zinc/74/55/46/851745546.db2.gz JSWUNWXKQUJYDW-KBXIAJHMSA-N 2 1 295.427 0.406 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001048875644 852093334 /nfs/dbraw/zinc/09/33/34/852093334.db2.gz GJYWSZUFGKAGMU-XHSDSOJGSA-N 2 1 291.439 0.986 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058459 852149948 /nfs/dbraw/zinc/14/99/48/852149948.db2.gz YLIOSVIHFVZRKT-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058459 852149953 /nfs/dbraw/zinc/14/99/53/852149953.db2.gz YLIOSVIHFVZRKT-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058459 852149957 /nfs/dbraw/zinc/14/99/57/852149957.db2.gz YLIOSVIHFVZRKT-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049170816 852183991 /nfs/dbraw/zinc/18/39/91/852183991.db2.gz FWHPMPUQIMDPIR-SOUVJXGZSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049170816 852183994 /nfs/dbraw/zinc/18/39/94/852183994.db2.gz FWHPMPUQIMDPIR-SOUVJXGZSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049170816 852183997 /nfs/dbraw/zinc/18/39/97/852183997.db2.gz FWHPMPUQIMDPIR-SOUVJXGZSA-N 2 1 275.396 0.352 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049215221 852196656 /nfs/dbraw/zinc/19/66/56/852196656.db2.gz OIVXUVASTZADLD-KFWWJZLASA-N 2 1 275.396 0.352 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049215221 852196661 /nfs/dbraw/zinc/19/66/61/852196661.db2.gz OIVXUVASTZADLD-KFWWJZLASA-N 2 1 275.396 0.352 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049215221 852196666 /nfs/dbraw/zinc/19/66/66/852196666.db2.gz OIVXUVASTZADLD-KFWWJZLASA-N 2 1 275.396 0.352 20 30 CCEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001096914031 852466490 /nfs/dbraw/zinc/46/64/90/852466490.db2.gz CXZSKNKGYPOPDP-KBXIAJHMSA-N 2 1 293.411 0.615 20 30 CCEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001096914031 852466497 /nfs/dbraw/zinc/46/64/97/852466497.db2.gz CXZSKNKGYPOPDP-KBXIAJHMSA-N 2 1 293.411 0.615 20 30 CCEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001096914031 852466502 /nfs/dbraw/zinc/46/65/02/852466502.db2.gz CXZSKNKGYPOPDP-KBXIAJHMSA-N 2 1 293.411 0.615 20 30 CCEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001096914031 852466505 /nfs/dbraw/zinc/46/65/05/852466505.db2.gz CXZSKNKGYPOPDP-KBXIAJHMSA-N 2 1 293.411 0.615 20 30 CCEDMP C[NH+](C)CCN1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)CCC1=O ZINC001254668566 852903793 /nfs/dbraw/zinc/90/37/93/852903793.db2.gz GVTLGSSDCDEPLH-KGLIPLIRSA-N 2 1 278.400 0.775 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753786 853423668 /nfs/dbraw/zinc/42/36/68/853423668.db2.gz DESQRDJXEMRYBU-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052386714 853744960 /nfs/dbraw/zinc/74/49/60/853744960.db2.gz QZWOMLHBPDJFIL-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973978 855057855 /nfs/dbraw/zinc/05/78/55/855057855.db2.gz LVYXDCDINJGAQQ-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973810 855057890 /nfs/dbraw/zinc/05/78/90/855057890.db2.gz JNEUUCNYRSICIN-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132689 855103863 /nfs/dbraw/zinc/10/38/63/855103863.db2.gz XMRPWWFXWXMQDQ-UONOGXRCSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132689 855103864 /nfs/dbraw/zinc/10/38/64/855103864.db2.gz XMRPWWFXWXMQDQ-UONOGXRCSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132689 855103866 /nfs/dbraw/zinc/10/38/66/855103866.db2.gz XMRPWWFXWXMQDQ-UONOGXRCSA-N 2 1 283.416 0.454 20 30 CCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115303607 855660660 /nfs/dbraw/zinc/66/06/60/855660660.db2.gz GSJZIHJWKYXSFZ-FOLVSLTJSA-N 2 1 293.411 0.023 20 30 CCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115303607 855660663 /nfs/dbraw/zinc/66/06/63/855660663.db2.gz GSJZIHJWKYXSFZ-FOLVSLTJSA-N 2 1 293.411 0.023 20 30 CCEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115303607 855660664 /nfs/dbraw/zinc/66/06/64/855660664.db2.gz GSJZIHJWKYXSFZ-FOLVSLTJSA-N 2 1 293.411 0.023 20 30 CCEDMP Cc1[nH+]ccn1CCCNC(=O)[C@H]([NH3+])CCCC#N ZINC001118127175 856170849 /nfs/dbraw/zinc/17/08/49/856170849.db2.gz BFMHQHXGJOYRNC-GFCCVEGCSA-N 2 1 263.345 0.719 20 30 CCEDMP C#CCC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001323616723 912449500 /nfs/dbraw/zinc/44/95/00/912449500.db2.gz OQQRHUFEDGDIGJ-UHFFFAOYSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001324262284 912747269 /nfs/dbraw/zinc/74/72/69/912747269.db2.gz WSZSDIQYIYNCBZ-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001324851924 913064120 /nfs/dbraw/zinc/06/41/20/913064120.db2.gz FPQCKGCJMBGPBJ-AWEZNQCLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001324851924 913064129 /nfs/dbraw/zinc/06/41/29/913064129.db2.gz FPQCKGCJMBGPBJ-AWEZNQCLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481447861 892673055 /nfs/dbraw/zinc/67/30/55/892673055.db2.gz UORSEDPBJQVQTM-CQSZACIVSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481638923 892945804 /nfs/dbraw/zinc/94/58/04/892945804.db2.gz RSBVRPRDSZKDHV-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482170060 893455302 /nfs/dbraw/zinc/45/53/02/893455302.db2.gz YPNRLROPFIALOB-QWHCGFSZSA-N 2 1 251.374 0.303 20 30 CCEDMP C#CC[N@@H+](CCC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317546347 893481697 /nfs/dbraw/zinc/48/16/97/893481697.db2.gz CTQHQWRZBGHCNH-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317546347 893481710 /nfs/dbraw/zinc/48/17/10/893481710.db2.gz CTQHQWRZBGHCNH-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317546347 893481723 /nfs/dbraw/zinc/48/17/23/893481723.db2.gz CTQHQWRZBGHCNH-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001498734878 893485137 /nfs/dbraw/zinc/48/51/37/893485137.db2.gz AAARCNNGOUGHRB-KGLIPLIRSA-N 2 1 263.385 0.588 20 30 CCEDMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482819316 894622542 /nfs/dbraw/zinc/62/25/42/894622542.db2.gz DIZDUMOEAIHTIC-OLZOCXBDSA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482819316 894622550 /nfs/dbraw/zinc/62/25/50/894622550.db2.gz DIZDUMOEAIHTIC-OLZOCXBDSA-N 2 1 269.389 0.378 20 30 CCEDMP C#CC[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001482841010 894645544 /nfs/dbraw/zinc/64/55/44/894645544.db2.gz BLKNDSGFIHXIOU-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001483587865 895665009 /nfs/dbraw/zinc/66/50/09/895665009.db2.gz OGCRTUHIYQCWDW-ZFWWWQNUSA-N 2 1 277.412 0.836 20 30 CCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001484279250 896312282 /nfs/dbraw/zinc/31/22/82/896312282.db2.gz HEKYAALYWZUPOC-CYBMUJFWSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001484412877 896378822 /nfs/dbraw/zinc/37/88/22/896378822.db2.gz FHJNYFJUWBNAMX-OKILXGFUSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001484412877 896378841 /nfs/dbraw/zinc/37/88/41/896378841.db2.gz FHJNYFJUWBNAMX-OKILXGFUSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001484412877 896378855 /nfs/dbraw/zinc/37/88/55/896378855.db2.gz FHJNYFJUWBNAMX-OKILXGFUSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001484903400 896661946 /nfs/dbraw/zinc/66/19/46/896661946.db2.gz AISVPOOIFMQDLU-STQMWFEESA-N 2 1 253.390 0.951 20 30 CCEDMP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001485095805 896774522 /nfs/dbraw/zinc/77/45/22/896774522.db2.gz DVUVYANGRUFEBI-YMAMQOFZSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001485157686 896826430 /nfs/dbraw/zinc/82/64/30/896826430.db2.gz MWUDELZLCBZOJA-QWHCGFSZSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001485316893 896940045 /nfs/dbraw/zinc/94/00/45/896940045.db2.gz ILCGAJJEHMEFID-JHJVBQTASA-N 2 1 274.368 0.973 20 30 CCEDMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001485316893 896940065 /nfs/dbraw/zinc/94/00/65/896940065.db2.gz ILCGAJJEHMEFID-JHJVBQTASA-N 2 1 274.368 0.973 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001485316893 896940073 /nfs/dbraw/zinc/94/00/73/896940073.db2.gz ILCGAJJEHMEFID-JHJVBQTASA-N 2 1 274.368 0.973 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212411818 897899983 /nfs/dbraw/zinc/89/99/83/897899983.db2.gz JZQPWVCLHMGITH-RBSFLKMASA-N 2 1 295.427 0.718 20 30 CCEDMP C#CCN1CC[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001272887832 898121791 /nfs/dbraw/zinc/12/17/91/898121791.db2.gz KPLWTIPOGZJNOK-KRWDZBQOSA-N 2 1 289.423 0.886 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078006203 898175900 /nfs/dbraw/zinc/17/59/00/898175900.db2.gz VSNAYFNSEPNFSD-MGPQQGTHSA-N 2 1 281.400 0.066 20 30 CCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001486217485 898717487 /nfs/dbraw/zinc/71/74/87/898717487.db2.gz YMSYJDYORGUOJC-GJZGRUSLSA-N 2 1 293.411 0.216 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486312383 898789329 /nfs/dbraw/zinc/78/93/29/898789329.db2.gz YLMPGXGYLULJLV-LSDHHAIUSA-N 2 1 297.443 0.703 20 30 CCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001486336808 898798987 /nfs/dbraw/zinc/79/89/87/898798987.db2.gz DSTMAPBVVGFAOQ-RBSFLKMASA-N 2 1 295.427 0.101 20 30 CCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001486336808 898798996 /nfs/dbraw/zinc/79/89/96/898798996.db2.gz DSTMAPBVVGFAOQ-RBSFLKMASA-N 2 1 295.427 0.101 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001486336808 898799003 /nfs/dbraw/zinc/79/90/03/898799003.db2.gz DSTMAPBVVGFAOQ-RBSFLKMASA-N 2 1 295.427 0.101 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001488670955 900338632 /nfs/dbraw/zinc/33/86/32/900338632.db2.gz NWMKRWYDZASTGZ-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001488670955 900338642 /nfs/dbraw/zinc/33/86/42/900338642.db2.gz NWMKRWYDZASTGZ-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C#CC[N@@H+](C)CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001327239694 914438008 /nfs/dbraw/zinc/43/80/08/914438008.db2.gz SBUCJCSQRINPLK-UHFFFAOYSA-N 2 1 262.357 0.605 20 30 CCEDMP C#CC[N@H+](C)CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001327239694 914438015 /nfs/dbraw/zinc/43/80/15/914438015.db2.gz SBUCJCSQRINPLK-UHFFFAOYSA-N 2 1 262.357 0.605 20 30 CCEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001488904675 900406685 /nfs/dbraw/zinc/40/66/85/900406685.db2.gz XLFBUWUYYLUMGV-RRFJBIMHSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001488904675 900406694 /nfs/dbraw/zinc/40/66/94/900406694.db2.gz XLFBUWUYYLUMGV-RRFJBIMHSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCOCC1 ZINC001327645833 914676063 /nfs/dbraw/zinc/67/60/63/914676063.db2.gz NYXFZJOQQDWGQQ-UHFFFAOYSA-N 2 1 290.367 0.080 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001491178900 903423471 /nfs/dbraw/zinc/42/34/71/903423471.db2.gz HKWNKUSHJREADW-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001329550162 903807461 /nfs/dbraw/zinc/80/74/61/903807461.db2.gz PNRQKADXTZBVKT-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001329550162 903807470 /nfs/dbraw/zinc/80/74/70/903807470.db2.gz PNRQKADXTZBVKT-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001329550162 903807480 /nfs/dbraw/zinc/80/74/80/903807480.db2.gz PNRQKADXTZBVKT-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064552 903832312 /nfs/dbraw/zinc/83/23/12/903832312.db2.gz OXXZUUOQKCVUNR-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001316599391 904113107 /nfs/dbraw/zinc/11/31/07/904113107.db2.gz SQCWPMJDBAKTMM-UONOGXRCSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001281968970 904376777 /nfs/dbraw/zinc/37/67/77/904376777.db2.gz RNGGDQRXOIMZJJ-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001332647454 904551562 /nfs/dbraw/zinc/55/15/62/904551562.db2.gz KTINQYYDNUWFBC-KKUMJFAQSA-N 2 1 297.443 0.654 20 30 CCEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001332647454 904551566 /nfs/dbraw/zinc/55/15/66/904551566.db2.gz KTINQYYDNUWFBC-KKUMJFAQSA-N 2 1 297.443 0.654 20 30 CCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001332647454 904551573 /nfs/dbraw/zinc/55/15/73/904551573.db2.gz KTINQYYDNUWFBC-KKUMJFAQSA-N 2 1 297.443 0.654 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001282879398 904561112 /nfs/dbraw/zinc/56/11/12/904561112.db2.gz WHTHXAPENUKGFH-PHZGNYQRSA-N 2 1 289.423 0.646 20 30 CCEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001283189967 904741363 /nfs/dbraw/zinc/74/13/63/904741363.db2.gz BTINEVNQRFWOFT-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001283492166 904871818 /nfs/dbraw/zinc/87/18/18/904871818.db2.gz HHKUTMVMEYHVJD-KBPBESRZSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001283492166 904871836 /nfs/dbraw/zinc/87/18/36/904871836.db2.gz HHKUTMVMEYHVJD-KBPBESRZSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283715652 904971333 /nfs/dbraw/zinc/97/13/33/904971333.db2.gz VCGUZIWSSHZKET-ZIAGYGMSSA-N 2 1 283.416 0.577 20 30 CCEDMP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001283826687 905041416 /nfs/dbraw/zinc/04/14/16/905041416.db2.gz CTCSWRBSUOGSOV-CYBMUJFWSA-N 2 1 280.372 0.224 20 30 CCEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317297022 908047560 /nfs/dbraw/zinc/04/75/60/908047560.db2.gz LWRMKHWNSZGMBD-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317297022 908047576 /nfs/dbraw/zinc/04/75/76/908047576.db2.gz LWRMKHWNSZGMBD-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001317536318 908635328 /nfs/dbraw/zinc/63/53/28/908635328.db2.gz YERZHYQUAATIGJ-HNNXBMFYSA-N 2 1 295.427 0.723 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001317536318 908635337 /nfs/dbraw/zinc/63/53/37/908635337.db2.gz YERZHYQUAATIGJ-HNNXBMFYSA-N 2 1 295.427 0.723 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001317186727 909038060 /nfs/dbraw/zinc/03/80/60/909038060.db2.gz BEAVDRPRDAIGHO-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001317345379 909152494 /nfs/dbraw/zinc/15/24/94/909152494.db2.gz ZRCODWQPPHCEFE-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP C#CC[N@@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001317884630 909536128 /nfs/dbraw/zinc/53/61/28/909536128.db2.gz VKSLQYJYEFLXHG-UHFFFAOYSA-N 2 1 288.395 0.995 20 30 CCEDMP C#CC[N@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001317884630 909536140 /nfs/dbraw/zinc/53/61/40/909536140.db2.gz VKSLQYJYEFLXHG-UHFFFAOYSA-N 2 1 288.395 0.995 20 30 CCEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001318542674 909806854 /nfs/dbraw/zinc/80/68/54/909806854.db2.gz SYXXYZRTFMZJPQ-LBPRGKRZSA-N 2 1 292.383 0.858 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001320226661 910539571 /nfs/dbraw/zinc/53/95/71/910539571.db2.gz DPLPCRZMFPBIJF-UONOGXRCSA-N 2 1 283.416 0.504 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001343433499 923311264 /nfs/dbraw/zinc/31/12/64/923311264.db2.gz XXLYCSGWYZCEOO-ZDUSSCGKSA-N 2 1 251.374 0.303 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001330072448 916399945 /nfs/dbraw/zinc/39/99/45/916399945.db2.gz UGIQBDKZEYCNCK-LBPRGKRZSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001330072448 916399970 /nfs/dbraw/zinc/39/99/70/916399970.db2.gz UGIQBDKZEYCNCK-LBPRGKRZSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001331842519 917658073 /nfs/dbraw/zinc/65/80/73/917658073.db2.gz QMWMYIRYTPCONB-OLZOCXBDSA-N 2 1 269.389 0.114 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001336892784 921086570 /nfs/dbraw/zinc/08/65/70/921086570.db2.gz BYONERXMPOFJMO-HOCLYGCPSA-N 2 1 292.427 0.854 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001420177426 923373241 /nfs/dbraw/zinc/37/32/41/923373241.db2.gz XDOYHQLSTLAFMA-JQWIXIFHSA-N 2 1 289.807 0.147 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200116617 925627810 /nfs/dbraw/zinc/62/78/10/925627810.db2.gz YXFXTRYLBASASZ-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP N#Cc1ccc(OCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000600724396 362045801 /nfs/dbraw/zinc/04/58/01/362045801.db2.gz NVOCOHSRYGDFHU-OAHLLOKOSA-N 2 1 289.379 0.983 20 30 CCEDMP N#CC1(C[C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000600744876 362053033 /nfs/dbraw/zinc/05/30/33/362053033.db2.gz QEGJDJLZIQMRSS-LSDHHAIUSA-N 2 1 295.427 0.868 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000600768926 362056629 /nfs/dbraw/zinc/05/66/29/362056629.db2.gz LZWRKAKHOFIWNQ-LLVKDONJSA-N 2 1 276.340 0.438 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192821240 530067793 /nfs/dbraw/zinc/06/77/93/530067793.db2.gz OCIOMUXQIYUECK-ZIAGYGMSSA-N 2 1 278.400 0.822 20 30 CCEDMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847336 362834594 /nfs/dbraw/zinc/83/45/94/362834594.db2.gz AITGNAWGYHTAHL-ZNMIVQPWSA-N 2 1 282.432 0.606 20 30 CCEDMP C[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693665 351455209 /nfs/dbraw/zinc/45/52/09/351455209.db2.gz VMZDJRFDGUISNI-QWHCGFSZSA-N 2 1 278.400 0.869 20 30 CCEDMP C[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693665 351455212 /nfs/dbraw/zinc/45/52/12/351455212.db2.gz VMZDJRFDGUISNI-QWHCGFSZSA-N 2 1 278.400 0.869 20 30 CCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439607 360308442 /nfs/dbraw/zinc/30/84/42/360308442.db2.gz SOMUWASYTYZAIZ-XBFCOCLRSA-N 2 1 278.400 0.997 20 30 CCEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594448866 360315185 /nfs/dbraw/zinc/31/51/85/360315185.db2.gz XIZOXWSSMONMQT-YIYPIFLZSA-N 2 1 296.415 0.621 20 30 CCEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594448866 360315193 /nfs/dbraw/zinc/31/51/93/360315193.db2.gz XIZOXWSSMONMQT-YIYPIFLZSA-N 2 1 296.415 0.621 20 30 CCEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)CC(C)(C)C#N ZINC000598599944 361455296 /nfs/dbraw/zinc/45/52/96/361455296.db2.gz SGQCKJOLAWICFR-OAHLLOKOSA-N 2 1 296.459 0.856 20 30 CCEDMP C#C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)C ZINC000289349262 388868877 /nfs/dbraw/zinc/86/88/77/388868877.db2.gz IXZCDOIZESQDDF-OAHLLOKOSA-N 2 1 287.411 0.976 20 30 CCEDMP C[C@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)N1 ZINC000262640525 389291156 /nfs/dbraw/zinc/29/11/56/389291156.db2.gz HQWWTMICVGEZLN-SGMGOOAPSA-N 2 1 290.415 0.740 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351474807 389585432 /nfs/dbraw/zinc/58/54/32/389585432.db2.gz HAJHSEINRXJXPU-FIQHERPVSA-N 2 1 280.372 0.056 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351474807 389585434 /nfs/dbraw/zinc/58/54/34/389585434.db2.gz HAJHSEINRXJXPU-FIQHERPVSA-N 2 1 280.372 0.056 20 30 CCEDMP N#C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000442796270 389862976 /nfs/dbraw/zinc/86/29/76/389862976.db2.gz VTCAPWJNZUUELF-MCIONIFRSA-N 2 1 278.400 0.856 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000565597960 390527860 /nfs/dbraw/zinc/52/78/60/390527860.db2.gz WZMZUYMZNKUPTG-LBPRGKRZSA-N 2 1 250.346 0.386 20 30 CCEDMP C[C@@H](CCO)[NH+](C)CC#CC[N@H+](C)[C@@H](C)CCO ZINC000649870865 397677002 /nfs/dbraw/zinc/67/70/02/397677002.db2.gz LQQCJSGBJJLBCE-KBPBESRZSA-N 2 1 256.390 0.395 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)C1CCN(CCO)CC1 ZINC000357649319 266339728 /nfs/dbraw/zinc/33/97/28/266339728.db2.gz PJKKKPPWLWXYBN-GFCCVEGCSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362800851 267047045 /nfs/dbraw/zinc/04/70/45/267047045.db2.gz JFUJUGKSTSYQBN-OCCSQVGLSA-N 2 1 265.401 0.951 20 30 CCEDMP C[C@@H]1CN(C(=[NH2+])NCC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000262454127 330014283 /nfs/dbraw/zinc/01/42/83/330014283.db2.gz KMNBWLQLQIGYAH-QWHCGFSZSA-N 2 1 268.405 0.754 20 30 CCEDMP C[N@@H+]1CC=C(CNC(=[NH2+])N2CCSCC2)CC1 ZINC000263165757 330046741 /nfs/dbraw/zinc/04/67/41/330046741.db2.gz PYYKMNSBOJWUNP-UHFFFAOYSA-N 2 1 254.403 0.612 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000424145722 330291528 /nfs/dbraw/zinc/29/15/28/330291528.db2.gz OIFPDSKLWKBQCQ-VXGBXAGGSA-N 2 1 250.346 0.314 20 30 CCEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C[NH+]1CCOCC1 ZINC000424157493 330304706 /nfs/dbraw/zinc/30/47/06/330304706.db2.gz PPTUYSYOHKGUBK-STQMWFEESA-N 2 1 282.388 0.092 20 30 CCEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000451598910 331035704 /nfs/dbraw/zinc/03/57/04/331035704.db2.gz MFNKEYNFXDTCAR-MCIONIFRSA-N 2 1 281.400 0.472 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000491646841 332263760 /nfs/dbraw/zinc/26/37/60/332263760.db2.gz VHQCJWPIALVDJC-KKUMJFAQSA-N 2 1 292.427 0.710 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000491728385 332311172 /nfs/dbraw/zinc/31/11/72/332311172.db2.gz MHHFHHPGLLMFSH-CABCVRRESA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000491728385 332311174 /nfs/dbraw/zinc/31/11/74/332311174.db2.gz MHHFHHPGLLMFSH-CABCVRRESA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000491728385 332311176 /nfs/dbraw/zinc/31/11/76/332311176.db2.gz MHHFHHPGLLMFSH-CABCVRRESA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000491729148 332311542 /nfs/dbraw/zinc/31/15/42/332311542.db2.gz NHJFZAZBESZRFT-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@H]1CC ZINC000491729148 332311543 /nfs/dbraw/zinc/31/15/43/332311543.db2.gz NHJFZAZBESZRFT-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@H]1CC ZINC000491729148 332311544 /nfs/dbraw/zinc/31/15/44/332311544.db2.gz NHJFZAZBESZRFT-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000491744747 332322757 /nfs/dbraw/zinc/32/27/57/332322757.db2.gz SMPHUBFGWFSHBV-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000491744747 332322758 /nfs/dbraw/zinc/32/27/58/332322758.db2.gz SMPHUBFGWFSHBV-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000491744747 332322759 /nfs/dbraw/zinc/32/27/59/332322759.db2.gz SMPHUBFGWFSHBV-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000491808749 332361613 /nfs/dbraw/zinc/36/16/13/332361613.db2.gz FGYADDDHPCYQFT-UHFFFAOYSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000491808749 332361615 /nfs/dbraw/zinc/36/16/15/332361615.db2.gz FGYADDDHPCYQFT-UHFFFAOYSA-N 2 1 251.374 0.400 20 30 CCEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000204583237 581882233 /nfs/dbraw/zinc/88/22/33/581882233.db2.gz VVYRWPJMXWXJPK-SOUVJXGZSA-N 2 1 287.363 0.449 20 30 CCEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000746673326 581922183 /nfs/dbraw/zinc/92/21/83/581922183.db2.gz AUJVEGMFIKTQOB-AWEZNQCLSA-N 2 1 296.415 0.449 20 30 CCEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000746673326 581922184 /nfs/dbraw/zinc/92/21/84/581922184.db2.gz AUJVEGMFIKTQOB-AWEZNQCLSA-N 2 1 296.415 0.449 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000883668195 613073482 /nfs/dbraw/zinc/07/34/82/613073482.db2.gz PRVKAIKYSGRDPB-UHFFFAOYSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000883668195 613073483 /nfs/dbraw/zinc/07/34/83/613073483.db2.gz PRVKAIKYSGRDPB-UHFFFAOYSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000883668195 613073484 /nfs/dbraw/zinc/07/34/84/613073484.db2.gz PRVKAIKYSGRDPB-UHFFFAOYSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000823188384 613072796 /nfs/dbraw/zinc/07/27/96/613072796.db2.gz QJPSOSWJOIORDG-UHFFFAOYSA-N 2 1 295.427 0.416 20 30 CCEDMP C#C[C@@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000820080981 613079501 /nfs/dbraw/zinc/07/95/01/613079501.db2.gz QTRANTNLGJLNQQ-UONOGXRCSA-N 2 1 282.432 0.922 20 30 CCEDMP C#C[C@@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000820080981 613079503 /nfs/dbraw/zinc/07/95/03/613079503.db2.gz QTRANTNLGJLNQQ-UONOGXRCSA-N 2 1 282.432 0.922 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000876727693 613390049 /nfs/dbraw/zinc/39/00/49/613390049.db2.gz QXXYNRRKANWOEY-MNOVXSKESA-N 2 1 259.781 0.914 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000970795825 612962842 /nfs/dbraw/zinc/96/28/42/612962842.db2.gz HAWLTDLURYCSHG-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000951749980 612991418 /nfs/dbraw/zinc/99/14/18/612991418.db2.gz MKVKCLVRBAHZKP-HIFRSBDPSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000951749980 612991420 /nfs/dbraw/zinc/99/14/20/612991420.db2.gz MKVKCLVRBAHZKP-HIFRSBDPSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891921741 613073926 /nfs/dbraw/zinc/07/39/26/613073926.db2.gz UFJCHFGWLPLSJW-CQSZACIVSA-N 2 1 280.416 0.854 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861633954 613076185 /nfs/dbraw/zinc/07/61/85/613076185.db2.gz ALTUWLXUIFOMGI-CHWSQXEVSA-N 2 1 266.389 0.381 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841909343 613076552 /nfs/dbraw/zinc/07/65/52/613076552.db2.gz CRBMZHPPVSVZJH-QWHCGFSZSA-N 2 1 266.389 0.511 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971674187 613088959 /nfs/dbraw/zinc/08/89/59/613088959.db2.gz NQUIVNTXNXKJBJ-ZDUSSCGKSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972484614 613089374 /nfs/dbraw/zinc/08/93/74/613089374.db2.gz FDQGRACAWQRHSM-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000972330412 613089696 /nfs/dbraw/zinc/08/96/96/613089696.db2.gz GABLHANPAWIDIS-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000972330412 613089697 /nfs/dbraw/zinc/08/96/97/613089697.db2.gz GABLHANPAWIDIS-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000972330412 613089698 /nfs/dbraw/zinc/08/96/98/613089698.db2.gz GABLHANPAWIDIS-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)CC1 ZINC000812333202 613130047 /nfs/dbraw/zinc/13/00/47/613130047.db2.gz HLUTUZAKXHQEOF-CVEARBPZSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC#C)C2)CC1 ZINC000923582375 613130889 /nfs/dbraw/zinc/13/08/89/613130889.db2.gz NLKPDKXXFTXTTF-MRXNPFEDSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)CC1 ZINC000923582375 613130891 /nfs/dbraw/zinc/13/08/91/613130891.db2.gz NLKPDKXXFTXTTF-MRXNPFEDSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)CC1 ZINC000962784729 613131825 /nfs/dbraw/zinc/13/18/25/613131825.db2.gz YTWRTVVULMJDNU-FICVDOATSA-N 2 1 293.386 0.348 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000923557028 613182239 /nfs/dbraw/zinc/18/22/39/613182239.db2.gz JOXRXDQUXKJMQP-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000923557028 613182240 /nfs/dbraw/zinc/18/22/40/613182240.db2.gz JOXRXDQUXKJMQP-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000923557028 613182242 /nfs/dbraw/zinc/18/22/42/613182242.db2.gz JOXRXDQUXKJMQP-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000923557028 613182243 /nfs/dbraw/zinc/18/22/43/613182243.db2.gz JOXRXDQUXKJMQP-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977470503 613280030 /nfs/dbraw/zinc/28/00/30/613280030.db2.gz DHOCFILUFCBNEQ-CYBMUJFWSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977470503 613280032 /nfs/dbraw/zinc/28/00/32/613280032.db2.gz DHOCFILUFCBNEQ-CYBMUJFWSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000977924794 613308474 /nfs/dbraw/zinc/30/84/74/613308474.db2.gz WAQWZRSSSZNCMM-YIYPIFLZSA-N 2 1 261.369 0.008 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000962556456 613345275 /nfs/dbraw/zinc/34/52/75/613345275.db2.gz RAMBAOXOHFSHOA-IGQOVBAYSA-N 2 1 263.385 0.561 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962556456 613345276 /nfs/dbraw/zinc/34/52/76/613345276.db2.gz RAMBAOXOHFSHOA-IGQOVBAYSA-N 2 1 263.385 0.561 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962556456 613345277 /nfs/dbraw/zinc/34/52/77/613345277.db2.gz RAMBAOXOHFSHOA-IGQOVBAYSA-N 2 1 263.385 0.561 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900808017 613365240 /nfs/dbraw/zinc/36/52/40/613365240.db2.gz XXZPUJMNZPIZKA-KBPBESRZSA-N 2 1 282.432 0.245 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000876736850 613388447 /nfs/dbraw/zinc/38/84/47/613388447.db2.gz LEHUNXGJEHSVLO-GXSJLCMTSA-N 2 1 257.765 0.809 20 30 CCEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982150872 613543104 /nfs/dbraw/zinc/54/31/04/613543104.db2.gz YXLRLIJVMCADCP-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944944293 613579122 /nfs/dbraw/zinc/57/91/22/613579122.db2.gz MEZLAYSBXJANAH-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923366785 613591264 /nfs/dbraw/zinc/59/12/64/613591264.db2.gz ORFGJPORFBJSFF-KBPBESRZSA-N 2 1 253.390 0.293 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978959959 613834432 /nfs/dbraw/zinc/83/44/32/613834432.db2.gz MAVOKCGHJUKUND-ZSOGYDGISA-N 2 1 275.396 0.562 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496342 613851609 /nfs/dbraw/zinc/85/16/09/613851609.db2.gz BLARZYGQHOUZBS-SDDRHHMPSA-N 2 1 282.388 0.303 20 30 CCEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925635064 613885980 /nfs/dbraw/zinc/88/59/80/613885980.db2.gz OBLBZJJITRBDPT-GHMZBOCLSA-N 2 1 258.387 0.447 20 30 CCEDMP CC(C)c1[nH+]ccn1CC(=O)NCC#CC[NH+](C)C ZINC000913524309 614326371 /nfs/dbraw/zinc/32/63/71/614326371.db2.gz HTVMDHVJQGMZPA-UHFFFAOYSA-N 2 1 262.357 0.688 20 30 CCEDMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)c1ccccc1 ZINC000834493686 615988637 /nfs/dbraw/zinc/98/86/37/615988637.db2.gz GMOXVYOVCZDHNI-MJBXVCDLSA-N 2 1 272.352 0.517 20 30 CCEDMP C[NH+](C)[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)c1ccccc1 ZINC000834493682 615988662 /nfs/dbraw/zinc/98/86/62/615988662.db2.gz GMOXVYOVCZDHNI-IHRRRGAJSA-N 2 1 272.352 0.517 20 30 CCEDMP COCC[N@H+]1CCC[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864701 616352337 /nfs/dbraw/zinc/35/23/37/616352337.db2.gz FEZWLQNQQJJURK-HNNXBMFYSA-N 2 1 293.411 0.216 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1ccnn1 ZINC000181492874 625374610 /nfs/dbraw/zinc/37/46/10/625374610.db2.gz WWXVCVKWGRKMBV-GFCCVEGCSA-N 2 1 279.392 0.057 20 30 CCEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001024376042 623301481 /nfs/dbraw/zinc/30/14/81/623301481.db2.gz XWAORQZCXQTGSE-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001024376042 623301486 /nfs/dbraw/zinc/30/14/86/623301486.db2.gz XWAORQZCXQTGSE-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024376042 623301490 /nfs/dbraw/zinc/30/14/90/623301490.db2.gz XWAORQZCXQTGSE-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024376042 623301496 /nfs/dbraw/zinc/30/14/96/623301496.db2.gz XWAORQZCXQTGSE-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907859 623813767 /nfs/dbraw/zinc/81/37/67/623813767.db2.gz BAXIICQCOVCMQT-CYBMUJFWSA-N 3 1 267.421 0.471 20 30 CCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCCC1 ZINC000170907859 623813770 /nfs/dbraw/zinc/81/37/70/623813770.db2.gz BAXIICQCOVCMQT-CYBMUJFWSA-N 2 1 267.421 0.471 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCCC1 ZINC000170907859 623813772 /nfs/dbraw/zinc/81/37/72/623813772.db2.gz BAXIICQCOVCMQT-CYBMUJFWSA-N 2 1 267.421 0.471 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001020507986 624499503 /nfs/dbraw/zinc/49/95/03/624499503.db2.gz GJGCYGZKZIVFRI-MGPQQGTHSA-N 2 1 281.400 0.518 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001020507986 624499504 /nfs/dbraw/zinc/49/95/04/624499504.db2.gz GJGCYGZKZIVFRI-MGPQQGTHSA-N 2 1 281.400 0.518 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001022076914 624871008 /nfs/dbraw/zinc/87/10/08/624871008.db2.gz FDTBHMGSMHAJCE-KBXIAJHMSA-N 2 1 275.396 0.731 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414485 625873979 /nfs/dbraw/zinc/87/39/79/625873979.db2.gz QNNBGSIZZIJLCA-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@]1(C)CCCO1 ZINC000261802886 631621737 /nfs/dbraw/zinc/62/17/37/631621737.db2.gz RPDIHDURVXQWJW-JSGCOSHPSA-N 2 1 268.405 0.672 20 30 CCEDMP CC[N@@H+](CCNC(=[NH2+])N1CCSCC1)C1CC1 ZINC000303991570 632503946 /nfs/dbraw/zinc/50/39/46/632503946.db2.gz ZRPCDQMRGNVGBZ-UHFFFAOYSA-N 2 1 256.419 0.834 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007377580 650075964 /nfs/dbraw/zinc/07/59/64/650075964.db2.gz WRFMKGMUZNLNMP-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007377580 650075965 /nfs/dbraw/zinc/07/59/65/650075965.db2.gz WRFMKGMUZNLNMP-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007377580 650075967 /nfs/dbraw/zinc/07/59/67/650075967.db2.gz WRFMKGMUZNLNMP-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007377580 650075968 /nfs/dbraw/zinc/07/59/68/650075968.db2.gz WRFMKGMUZNLNMP-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000985648029 632607292 /nfs/dbraw/zinc/60/72/92/632607292.db2.gz TWVMUENYGYHEJZ-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000985648029 632607296 /nfs/dbraw/zinc/60/72/96/632607296.db2.gz TWVMUENYGYHEJZ-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC000987189537 632838085 /nfs/dbraw/zinc/83/80/85/632838085.db2.gz GEIXLDIISMDZHW-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989492027 633317294 /nfs/dbraw/zinc/31/72/94/633317294.db2.gz HIAMRTYGZTUCAD-UHFFFAOYSA-N 2 1 275.396 0.640 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989492027 633317298 /nfs/dbraw/zinc/31/72/98/633317298.db2.gz HIAMRTYGZTUCAD-UHFFFAOYSA-N 2 1 275.396 0.640 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008544108 650119196 /nfs/dbraw/zinc/11/91/96/650119196.db2.gz YIZLUNRPKDJDCS-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008544108 650119198 /nfs/dbraw/zinc/11/91/98/650119198.db2.gz YIZLUNRPKDJDCS-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001008544108 650119200 /nfs/dbraw/zinc/11/92/00/650119200.db2.gz YIZLUNRPKDJDCS-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001008544108 650119204 /nfs/dbraw/zinc/11/92/04/650119204.db2.gz YIZLUNRPKDJDCS-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(C)n1 ZINC000170909392 637105603 /nfs/dbraw/zinc/10/56/03/637105603.db2.gz LEVKPMYNGHPTFO-CYBMUJFWSA-N 2 1 276.388 0.674 20 30 CCEDMP C[NH+]=C(NCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083102379 638791835 /nfs/dbraw/zinc/79/18/35/638791835.db2.gz ZHWZSUOIFCWYIV-CYBMUJFWSA-N 3 1 279.432 0.484 20 30 CCEDMP C[NH+]=C(NCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083102379 638791837 /nfs/dbraw/zinc/79/18/37/638791837.db2.gz ZHWZSUOIFCWYIV-CYBMUJFWSA-N 3 1 279.432 0.484 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC=C)CC1 ZINC000996686461 638829145 /nfs/dbraw/zinc/82/91/45/638829145.db2.gz UJXZIFLSSVEZCN-HNNXBMFYSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC=C)CC1 ZINC000996686461 638829147 /nfs/dbraw/zinc/82/91/47/638829147.db2.gz UJXZIFLSSVEZCN-HNNXBMFYSA-N 2 1 275.396 0.851 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998725097 638936635 /nfs/dbraw/zinc/93/66/35/638936635.db2.gz VKTWZLOSNZKCED-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001005210632 639889791 /nfs/dbraw/zinc/88/97/91/639889791.db2.gz WZSPEMNZULSJME-OAHLLOKOSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001005210632 639889794 /nfs/dbraw/zinc/88/97/94/639889794.db2.gz WZSPEMNZULSJME-OAHLLOKOSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597519 650587503 /nfs/dbraw/zinc/58/75/03/650587503.db2.gz SZIWMSQZHIGAKZ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001015597519 650587504 /nfs/dbraw/zinc/58/75/04/650587504.db2.gz SZIWMSQZHIGAKZ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001015597519 650587505 /nfs/dbraw/zinc/58/75/05/650587505.db2.gz SZIWMSQZHIGAKZ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001015597519 650587506 /nfs/dbraw/zinc/58/75/06/650587506.db2.gz SZIWMSQZHIGAKZ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015604988 650589512 /nfs/dbraw/zinc/58/95/12/650589512.db2.gz DUICFGNZGZEHNC-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001015604988 650589514 /nfs/dbraw/zinc/58/95/14/650589514.db2.gz DUICFGNZGZEHNC-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015604988 650589515 /nfs/dbraw/zinc/58/95/15/650589515.db2.gz DUICFGNZGZEHNC-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015604988 650589518 /nfs/dbraw/zinc/58/95/18/650589518.db2.gz DUICFGNZGZEHNC-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C[C@@H]1CC(=NNCCCN2CCOCC2)CC[N@H+]1C ZINC000799486652 640576246 /nfs/dbraw/zinc/57/62/46/640576246.db2.gz JVDXPVYWEXBTJJ-CYBMUJFWSA-N 2 1 268.405 0.768 20 30 CCEDMP C[C@@H]1CC(=NNCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000799486652 640576252 /nfs/dbraw/zinc/57/62/52/640576252.db2.gz JVDXPVYWEXBTJJ-CYBMUJFWSA-N 2 1 268.405 0.768 20 30 CCEDMP C[C@@H]1CC(=NNCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000799486652 640576255 /nfs/dbraw/zinc/57/62/55/640576255.db2.gz JVDXPVYWEXBTJJ-CYBMUJFWSA-N 2 1 268.405 0.768 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015706613 650613812 /nfs/dbraw/zinc/61/38/12/650613812.db2.gz QYSBEYQYWZRPEC-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015706613 650613813 /nfs/dbraw/zinc/61/38/13/650613813.db2.gz QYSBEYQYWZRPEC-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015706613 650613814 /nfs/dbraw/zinc/61/38/14/650613814.db2.gz QYSBEYQYWZRPEC-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015706613 650613815 /nfs/dbraw/zinc/61/38/15/650613815.db2.gz QYSBEYQYWZRPEC-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015712947 650614601 /nfs/dbraw/zinc/61/46/01/650614601.db2.gz KKBBLUXQGQLWHI-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015712947 650614602 /nfs/dbraw/zinc/61/46/02/650614602.db2.gz KKBBLUXQGQLWHI-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015712947 650614603 /nfs/dbraw/zinc/61/46/03/650614603.db2.gz KKBBLUXQGQLWHI-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016259031 650707320 /nfs/dbraw/zinc/70/73/20/650707320.db2.gz BWRNBFZXDJJYJT-ZDUSSCGKSA-N 2 1 260.341 0.405 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016259031 650707322 /nfs/dbraw/zinc/70/73/22/650707322.db2.gz BWRNBFZXDJJYJT-ZDUSSCGKSA-N 2 1 260.341 0.405 20 30 CCEDMP N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000843062722 642983613 /nfs/dbraw/zinc/98/36/13/642983613.db2.gz ROWWSMBQGBWYQD-CVEARBPZSA-N 2 1 289.379 0.638 20 30 CCEDMP C[C@H](C#N)OCCN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852707798 643989428 /nfs/dbraw/zinc/98/94/28/643989428.db2.gz KXZQRTJXBBQUSA-TZMCWYRMSA-N 2 1 267.373 0.446 20 30 CCEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852860196 644028649 /nfs/dbraw/zinc/02/86/49/644028649.db2.gz MWCRQGUFVDKHKK-CYBMUJFWSA-N 2 1 288.395 0.947 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(C)C)C1 ZINC001018985199 650927319 /nfs/dbraw/zinc/92/73/19/650927319.db2.gz LRGFIWXGPUONSL-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(C)C)C1 ZINC001018985199 650927321 /nfs/dbraw/zinc/92/73/21/650927321.db2.gz LRGFIWXGPUONSL-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001018990167 650927545 /nfs/dbraw/zinc/92/75/45/650927545.db2.gz DUDRLKDBEUFYKA-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001019043857 650933204 /nfs/dbraw/zinc/93/32/04/650933204.db2.gz KIMXLVPXZNJAHB-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001019800396 651006249 /nfs/dbraw/zinc/00/62/49/651006249.db2.gz IPQPQXIEWXIMGN-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001019800396 651006252 /nfs/dbraw/zinc/00/62/52/651006252.db2.gz IPQPQXIEWXIMGN-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001020045650 651031316 /nfs/dbraw/zinc/03/13/16/651031316.db2.gz HJLNHTHACSUSRD-AVGNSLFASA-N 2 1 267.373 0.130 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001020045650 651031320 /nfs/dbraw/zinc/03/13/20/651031320.db2.gz HJLNHTHACSUSRD-AVGNSLFASA-N 2 1 267.373 0.130 20 30 CCEDMP C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000303874336 649825752 /nfs/dbraw/zinc/82/57/52/649825752.db2.gz HDKCKNVADVPWCA-HUUCEWRRSA-N 2 1 295.475 0.917 20 30 CCEDMP CCCNC(=O)CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303865565 649825772 /nfs/dbraw/zinc/82/57/72/649825772.db2.gz BQBOGYQOWZQUFY-LBPRGKRZSA-N 2 1 283.420 0.291 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Cn1cccn1 ZINC000303898163 649826477 /nfs/dbraw/zinc/82/64/77/649826477.db2.gz VJVPAQHXCKKNBV-KGLIPLIRSA-N 2 1 292.431 0.908 20 30 CCEDMP C[C@H](CNC(=[NH2+])N1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000303907831 649826830 /nfs/dbraw/zinc/82/68/30/649826830.db2.gz XDAHANFDWDVCRW-QWHCGFSZSA-N 2 1 268.405 0.896 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138117 805584254 /nfs/dbraw/zinc/58/42/54/805584254.db2.gz GONFAIYCDCEMHV-RBSFLKMASA-N 2 1 277.412 0.978 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266339839 790544426 /nfs/dbraw/zinc/54/44/26/790544426.db2.gz YXKJLNVBSNJNKO-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266339839 790544441 /nfs/dbraw/zinc/54/44/41/790544441.db2.gz YXKJLNVBSNJNKO-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP Cc1ccc(CC#N)c(N2C[C@H]3COC[C@@H](C2)C3[NH3+])[nH+]1 ZINC001167186160 790685360 /nfs/dbraw/zinc/68/53/60/790685360.db2.gz BXZJXZXCLRNRLZ-PBWFPOADSA-N 2 1 272.352 0.866 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001041677418 790828198 /nfs/dbraw/zinc/82/81/98/790828198.db2.gz BXJHRJBHMLCMEK-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041677418 790828212 /nfs/dbraw/zinc/82/82/12/790828212.db2.gz BXJHRJBHMLCMEK-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041677418 790828219 /nfs/dbraw/zinc/82/82/19/790828219.db2.gz BXJHRJBHMLCMEK-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041677420 790829184 /nfs/dbraw/zinc/82/91/84/790829184.db2.gz BXJHRJBHMLCMEK-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041677420 790829198 /nfs/dbraw/zinc/82/91/98/790829198.db2.gz BXJHRJBHMLCMEK-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041677420 790829212 /nfs/dbraw/zinc/82/92/12/790829212.db2.gz BXJHRJBHMLCMEK-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C=C(C)CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001266588595 790989788 /nfs/dbraw/zinc/98/97/88/790989788.db2.gz SHILVUBBGOWFRY-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001266588595 790989795 /nfs/dbraw/zinc/98/97/95/790989795.db2.gz SHILVUBBGOWFRY-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001266588595 790989804 /nfs/dbraw/zinc/98/98/04/790989804.db2.gz SHILVUBBGOWFRY-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001266588595 790989813 /nfs/dbraw/zinc/98/98/13/790989813.db2.gz SHILVUBBGOWFRY-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346559 791097150 /nfs/dbraw/zinc/09/71/50/791097150.db2.gz SJFNOMUHKPSRAA-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041833612 791106631 /nfs/dbraw/zinc/10/66/31/791106631.db2.gz RDHQFAXYARHOJC-INIZCTEOSA-N 2 1 286.379 0.749 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041833612 791106635 /nfs/dbraw/zinc/10/66/35/791106635.db2.gz RDHQFAXYARHOJC-INIZCTEOSA-N 2 1 286.379 0.749 20 30 CCEDMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001277781551 806033392 /nfs/dbraw/zinc/03/33/92/806033392.db2.gz LXFBBMKACYEHEY-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001277781551 806033400 /nfs/dbraw/zinc/03/34/00/806033400.db2.gz LXFBBMKACYEHEY-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP N#Cc1cccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234983839 806328035 /nfs/dbraw/zinc/32/80/35/806328035.db2.gz YUAZVTAICQYJHB-OAHLLOKOSA-N 2 1 256.353 0.696 20 30 CCEDMP COc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccc1C#N ZINC001236001874 806528345 /nfs/dbraw/zinc/52/83/45/806528345.db2.gz MPGMVFCWNAEBGL-MZBDJJRSSA-N 2 1 287.363 0.972 20 30 CCEDMP COc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccc1C#N ZINC001236001874 806528351 /nfs/dbraw/zinc/52/83/51/806528351.db2.gz MPGMVFCWNAEBGL-MZBDJJRSSA-N 2 1 287.363 0.972 20 30 CCEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001278098907 806666969 /nfs/dbraw/zinc/66/69/69/806666969.db2.gz AFCXZXNIZAGOLD-IJLUTSLNSA-N 2 1 278.356 0.156 20 30 CCEDMP C[N@H+]1CCCN(CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC001120574943 798873682 /nfs/dbraw/zinc/87/36/82/798873682.db2.gz TYFUOWMHJNMLEW-HNNXBMFYSA-N 2 1 296.459 0.904 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149849215 800303065 /nfs/dbraw/zinc/30/30/65/800303065.db2.gz RPVXJGVQYRIBNM-CQSZACIVSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149886821 800305874 /nfs/dbraw/zinc/30/58/74/800305874.db2.gz CHARQEODARYLFG-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150546312 800345593 /nfs/dbraw/zinc/34/55/93/800345593.db2.gz CGRIBJZCBMNDBC-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150546312 800345598 /nfs/dbraw/zinc/34/55/98/800345598.db2.gz CGRIBJZCBMNDBC-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150546312 800345605 /nfs/dbraw/zinc/34/56/05/800345605.db2.gz CGRIBJZCBMNDBC-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150716270 800362476 /nfs/dbraw/zinc/36/24/76/800362476.db2.gz QEMGCYDOFNWXPJ-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001151049526 800389266 /nfs/dbraw/zinc/38/92/66/800389266.db2.gz RGVMNLKKKIGIQM-NSHDSACASA-N 2 1 292.408 0.777 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001159097378 801759545 /nfs/dbraw/zinc/75/95/45/801759545.db2.gz FEKPCVPWQXROKF-STQMWFEESA-N 2 1 269.364 0.749 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001159097378 801759549 /nfs/dbraw/zinc/75/95/49/801759549.db2.gz FEKPCVPWQXROKF-STQMWFEESA-N 2 1 269.364 0.749 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001159868825 801884344 /nfs/dbraw/zinc/88/43/44/801884344.db2.gz MNWBURXZSXZLFS-HNNXBMFYSA-N 2 1 293.411 0.359 20 30 CCEDMP N#Cc1cncc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160510739 801955213 /nfs/dbraw/zinc/95/52/13/801955213.db2.gz JHIBZGQVNKVJKT-CYBMUJFWSA-N 2 1 258.329 0.183 20 30 CCEDMP Cc1cc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)nc(C#N)n1 ZINC001160512904 801956870 /nfs/dbraw/zinc/95/68/70/801956870.db2.gz FUKLRVDILLKGOB-CQSZACIVSA-N 2 1 272.356 0.492 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161043106 802075083 /nfs/dbraw/zinc/07/50/83/802075083.db2.gz XXRMUVVVDVCPLN-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C=CC(NCCCN1CC[NH+](C)CC1)=[NH+]COC ZINC001161703586 802203986 /nfs/dbraw/zinc/20/39/86/802203986.db2.gz IUYPTMNDLINKJV-UHFFFAOYSA-N 2 1 254.378 0.402 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872469 802431449 /nfs/dbraw/zinc/43/14/49/802431449.db2.gz STZPXIHFRHMGCL-OWYJLGKBSA-N 2 1 279.384 0.132 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001165270762 802809935 /nfs/dbraw/zinc/80/99/35/802809935.db2.gz GWTCLNMVRIHOSJ-AWEZNQCLSA-N 2 1 288.395 0.873 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207689530 803439005 /nfs/dbraw/zinc/43/90/05/803439005.db2.gz ZYRMFGYHNWSOGA-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001209635876 803619715 /nfs/dbraw/zinc/61/97/15/803619715.db2.gz YUAZJSJPRBRGCM-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211269312 803674746 /nfs/dbraw/zinc/67/47/46/803674746.db2.gz PPBKMNJXLSBODA-CYBMUJFWSA-N 2 1 251.374 0.540 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213678483 803699889 /nfs/dbraw/zinc/69/98/89/803699889.db2.gz YIXRXTXQFIUZHO-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213678483 803699891 /nfs/dbraw/zinc/69/98/91/803699891.db2.gz YIXRXTXQFIUZHO-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213678483 803699894 /nfs/dbraw/zinc/69/98/94/803699894.db2.gz YIXRXTXQFIUZHO-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213678483 803699897 /nfs/dbraw/zinc/69/98/97/803699897.db2.gz YIXRXTXQFIUZHO-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214336087 803734840 /nfs/dbraw/zinc/73/48/40/803734840.db2.gz TYCXXXUSTMMLKA-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214949833 803768832 /nfs/dbraw/zinc/76/88/32/803768832.db2.gz BXBICOMLAKDCEU-KBUPBQIOSA-N 2 1 293.411 0.165 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214949833 803768838 /nfs/dbraw/zinc/76/88/38/803768838.db2.gz BXBICOMLAKDCEU-KBUPBQIOSA-N 2 1 293.411 0.165 20 30 CCEDMP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000402195813 803814744 /nfs/dbraw/zinc/81/47/44/803814744.db2.gz FUNUVJJDOGYTEN-AWEZNQCLSA-N 2 1 275.352 0.721 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819462 804133328 /nfs/dbraw/zinc/13/33/28/804133328.db2.gz FEUGVXSTJUZHAV-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819462 804133329 /nfs/dbraw/zinc/13/33/29/804133329.db2.gz FEUGVXSTJUZHAV-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804400 804426170 /nfs/dbraw/zinc/42/61/70/804426170.db2.gz UWMFGHYYVHUOTN-RDBSUJKOSA-N 2 1 281.400 0.064 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804400 804426178 /nfs/dbraw/zinc/42/61/78/804426178.db2.gz UWMFGHYYVHUOTN-RDBSUJKOSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220585051 804632131 /nfs/dbraw/zinc/63/21/31/804632131.db2.gz VBPQEAPSVOOSIH-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCOCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001272171820 815036804 /nfs/dbraw/zinc/03/68/04/815036804.db2.gz FXALSLGAFBESTQ-CQSZACIVSA-N 2 1 283.416 0.531 20 30 CCEDMP C=CCOCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001272171820 815036808 /nfs/dbraw/zinc/03/68/08/815036808.db2.gz FXALSLGAFBESTQ-CQSZACIVSA-N 2 1 283.416 0.531 20 30 CCEDMP C=CCOCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001272171820 815036813 /nfs/dbraw/zinc/03/68/13/815036813.db2.gz FXALSLGAFBESTQ-CQSZACIVSA-N 2 1 283.416 0.531 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950511 804854201 /nfs/dbraw/zinc/85/42/01/804854201.db2.gz LMCZOHYGUMXAAY-HUUCEWRRSA-N 2 1 293.411 0.121 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947196 804855119 /nfs/dbraw/zinc/85/51/19/804855119.db2.gz XCJPAYYAVSHHMO-HUUCEWRRSA-N 2 1 295.427 0.673 20 30 CCEDMP N#Cc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cn1 ZINC001222502916 804908424 /nfs/dbraw/zinc/90/84/24/804908424.db2.gz WNMFPVSEDXJZPG-GJZGRUSLSA-N 2 1 271.368 0.479 20 30 CCEDMP C=C[C@](C)(O)C[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246046009 807132351 /nfs/dbraw/zinc/13/23/51/807132351.db2.gz MLRHBHVHTMZCFC-VHDGCEQUSA-N 2 1 282.384 0.398 20 30 CCEDMP N#CCC1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246821943 807394819 /nfs/dbraw/zinc/39/48/19/807394819.db2.gz PMZVUMRQFPNEHU-UHFFFAOYSA-N 2 1 293.459 0.543 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001251852046 807721380 /nfs/dbraw/zinc/72/13/80/807721380.db2.gz YVRVFTXLMBWNGJ-AWEZNQCLSA-N 2 1 266.385 0.415 20 30 CCEDMP C[N@H+]1CCCN(CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254642482 808268948 /nfs/dbraw/zinc/26/89/48/808268948.db2.gz HXWWPSNKZKAGKJ-UONOGXRCSA-N 2 1 250.390 0.906 20 30 CCEDMP NC(=O)c1ccc(C(=[NH2+])N[C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254845668 808287295 /nfs/dbraw/zinc/28/72/95/808287295.db2.gz PNVOEAFKNLWRML-AWEZNQCLSA-N 2 1 286.379 0.975 20 30 CCEDMP C=CC[NH+](CC=C)CCN1CCN([C@H]2CC[N@H+](C)C2)CC1 ZINC001255441673 808371191 /nfs/dbraw/zinc/37/11/91/808371191.db2.gz QJUJCGWYQQNAIN-KRWDZBQOSA-N 2 1 292.471 0.982 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCN2CCOCC2)[C@H]1CC ZINC001264621175 809665340 /nfs/dbraw/zinc/66/53/40/809665340.db2.gz MCUMYISHOVCZRB-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1CC ZINC001264621175 809665344 /nfs/dbraw/zinc/66/53/44/809665344.db2.gz MCUMYISHOVCZRB-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001265036524 809696463 /nfs/dbraw/zinc/69/64/63/809696463.db2.gz GIWDCYQUPZQWHE-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265307676 809754034 /nfs/dbraw/zinc/75/40/34/809754034.db2.gz DISMVLFTOMUHHS-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265307676 809754036 /nfs/dbraw/zinc/75/40/36/809754036.db2.gz DISMVLFTOMUHHS-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001265381767 809768924 /nfs/dbraw/zinc/76/89/24/809768924.db2.gz AJXVHNFIFUXSHW-HUUCEWRRSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001265381767 809768929 /nfs/dbraw/zinc/76/89/29/809768929.db2.gz AJXVHNFIFUXSHW-HUUCEWRRSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265967604 809908356 /nfs/dbraw/zinc/90/83/56/809908356.db2.gz WOPFZKOXLFOGEO-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265967604 809908360 /nfs/dbraw/zinc/90/83/60/809908360.db2.gz WOPFZKOXLFOGEO-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266096709 809936207 /nfs/dbraw/zinc/93/62/07/809936207.db2.gz JDJORPUFIQPZFR-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266096709 809936209 /nfs/dbraw/zinc/93/62/09/809936209.db2.gz JDJORPUFIQPZFR-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266096709 809936212 /nfs/dbraw/zinc/93/62/12/809936212.db2.gz JDJORPUFIQPZFR-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266096709 809936214 /nfs/dbraw/zinc/93/62/14/809936214.db2.gz JDJORPUFIQPZFR-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C=CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001279437562 809978390 /nfs/dbraw/zinc/97/83/90/809978390.db2.gz WDMQYCOQHUXGNA-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076987244 815429737 /nfs/dbraw/zinc/42/97/37/815429737.db2.gz IDWUCSSOZSERTG-QLFBSQMISA-N 2 1 295.427 0.597 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001076987244 815429740 /nfs/dbraw/zinc/42/97/40/815429740.db2.gz IDWUCSSOZSERTG-QLFBSQMISA-N 2 1 295.427 0.597 20 30 CCEDMP C=CCC[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001267403084 811280547 /nfs/dbraw/zinc/28/05/47/811280547.db2.gz SWOHWHAXPAKNJA-UHFFFAOYSA-N 2 1 250.346 0.816 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001267712914 811674236 /nfs/dbraw/zinc/67/42/36/811674236.db2.gz YEHSWNFQZNLXCF-STQMWFEESA-N 2 1 251.374 0.799 20 30 CCEDMP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077280565 815472167 /nfs/dbraw/zinc/47/21/67/815472167.db2.gz DGDQZIPUTBUEHW-QLFBSQMISA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001077280565 815472171 /nfs/dbraw/zinc/47/21/71/815472171.db2.gz DGDQZIPUTBUEHW-QLFBSQMISA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077280565 815472174 /nfs/dbraw/zinc/47/21/74/815472174.db2.gz DGDQZIPUTBUEHW-QLFBSQMISA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280565 815472178 /nfs/dbraw/zinc/47/21/78/815472178.db2.gz DGDQZIPUTBUEHW-QLFBSQMISA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280565 815472180 /nfs/dbraw/zinc/47/21/80/815472180.db2.gz DGDQZIPUTBUEHW-QLFBSQMISA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCN1CCO[C@@H](CNC(=O)CN2CCCC2)C1 ZINC001268029647 812026219 /nfs/dbraw/zinc/02/62/19/812026219.db2.gz WVSLNVDDJQYTBD-ZDUSSCGKSA-N 2 1 267.373 0.085 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268057845 812158473 /nfs/dbraw/zinc/15/84/73/812158473.db2.gz RWYOMCHAYKEAGN-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268057845 812158476 /nfs/dbraw/zinc/15/84/76/812158476.db2.gz RWYOMCHAYKEAGN-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001268099504 812258702 /nfs/dbraw/zinc/25/87/02/812258702.db2.gz FCKYJIIGCGHZIK-ZDUSSCGKSA-N 2 1 292.383 0.278 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268099737 812258869 /nfs/dbraw/zinc/25/88/69/812258869.db2.gz HPCSDQKTUPMAPP-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001268323797 812486279 /nfs/dbraw/zinc/48/62/79/812486279.db2.gz KEVYWYHUEJOVRM-CYBMUJFWSA-N 2 1 294.399 0.649 20 30 CCEDMP CC#CC[NH2+]CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268399493 812545078 /nfs/dbraw/zinc/54/50/78/812545078.db2.gz HRVRAXNQVPJJQL-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268541688 812783704 /nfs/dbraw/zinc/78/37/04/812783704.db2.gz HLYNJNLBRRXWFN-DPOFCPOHSA-N 2 1 293.411 0.238 20 30 CCEDMP C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268674648 812995436 /nfs/dbraw/zinc/99/54/36/812995436.db2.gz RAYOQVQJJAMPGG-OLZOCXBDSA-N 2 1 269.389 0.235 20 30 CCEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001268735083 813048804 /nfs/dbraw/zinc/04/88/04/813048804.db2.gz DQDPVBWTIDAHHY-KBPBESRZSA-N 2 1 288.395 0.905 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001268747982 813063170 /nfs/dbraw/zinc/06/31/70/813063170.db2.gz WNYMNTGAMJUOQZ-ZDUSSCGKSA-N 2 1 269.389 0.024 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CC#CC)CC1 ZINC001268758712 813069099 /nfs/dbraw/zinc/06/90/99/813069099.db2.gz FGZJNGUDOKAKQM-OAHLLOKOSA-N 2 1 289.423 0.791 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001268760434 813070998 /nfs/dbraw/zinc/07/09/98/813070998.db2.gz UWQKWRHWZOJTSQ-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001268760121 813071115 /nfs/dbraw/zinc/07/11/15/813071115.db2.gz RXDQWFMMABNNEK-HNNXBMFYSA-N 2 1 289.423 0.791 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001269343444 813333608 /nfs/dbraw/zinc/33/36/08/813333608.db2.gz LPWANLFXMGOLKF-ZDUSSCGKSA-N 2 1 251.374 0.849 20 30 CCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758354 813446255 /nfs/dbraw/zinc/44/62/55/813446255.db2.gz QWLVATUQNJRPLS-GJZGRUSLSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758354 813446261 /nfs/dbraw/zinc/44/62/61/813446261.db2.gz QWLVATUQNJRPLS-GJZGRUSLSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758354 813446265 /nfs/dbraw/zinc/44/62/65/813446265.db2.gz QWLVATUQNJRPLS-GJZGRUSLSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028776256 813486104 /nfs/dbraw/zinc/48/61/04/813486104.db2.gz JTJXYGVLLMERGJ-CYBMUJFWSA-N 2 1 263.385 0.400 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028983565 813720746 /nfs/dbraw/zinc/72/07/46/813720746.db2.gz CZAYKQYBRJCWST-KBPBESRZSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028983565 813720754 /nfs/dbraw/zinc/72/07/54/813720754.db2.gz CZAYKQYBRJCWST-KBPBESRZSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028983565 813720759 /nfs/dbraw/zinc/72/07/59/813720759.db2.gz CZAYKQYBRJCWST-KBPBESRZSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199167 814443515 /nfs/dbraw/zinc/44/35/15/814443515.db2.gz DKIIYWKORYRISL-KFWWJZLASA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199167 814443523 /nfs/dbraw/zinc/44/35/23/814443523.db2.gz DKIIYWKORYRISL-KFWWJZLASA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199167 814443529 /nfs/dbraw/zinc/44/35/29/814443529.db2.gz DKIIYWKORYRISL-KFWWJZLASA-N 2 1 277.412 0.904 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127077280 815638306 /nfs/dbraw/zinc/63/83/06/815638306.db2.gz BILJSLAUFMFONJ-CQSZACIVSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCCN1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705053 816239044 /nfs/dbraw/zinc/23/90/44/816239044.db2.gz LZIJPPSEYVKVBX-CXOJTPOUSA-N 2 1 291.395 0.226 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001030705053 816239050 /nfs/dbraw/zinc/23/90/50/816239050.db2.gz LZIJPPSEYVKVBX-CXOJTPOUSA-N 2 1 291.395 0.226 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030960294 816506332 /nfs/dbraw/zinc/50/63/32/816506332.db2.gz KJFBJEAZGGXXOB-GXTWGEPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030960294 816506337 /nfs/dbraw/zinc/50/63/37/816506337.db2.gz KJFBJEAZGGXXOB-GXTWGEPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148712 816580518 /nfs/dbraw/zinc/58/05/18/816580518.db2.gz YINZOUPNGIHLDQ-KBUPBQIOSA-N 2 1 277.412 0.644 20 30 CCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001046567808 816635982 /nfs/dbraw/zinc/63/59/82/816635982.db2.gz LEAXNSFPOSIRTI-ZBFHGGJFSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046567808 816635986 /nfs/dbraw/zinc/63/59/86/816635986.db2.gz LEAXNSFPOSIRTI-ZBFHGGJFSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046567808 816635988 /nfs/dbraw/zinc/63/59/88/816635988.db2.gz LEAXNSFPOSIRTI-ZBFHGGJFSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567808 816635996 /nfs/dbraw/zinc/63/59/96/816635996.db2.gz LEAXNSFPOSIRTI-ZBFHGGJFSA-N 2 1 295.427 0.862 20 30 CCEDMP C[N@@H+](CCOCC[NH3+])C[C@@H](O)c1ccc(C#N)cc1 ZINC000699456132 816729991 /nfs/dbraw/zinc/72/99/91/816729991.db2.gz ZOXUUVJMVCHQPC-CQSZACIVSA-N 2 1 263.341 0.499 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668607 817232345 /nfs/dbraw/zinc/23/23/45/817232345.db2.gz KTRJQGPOCIZJQS-HUUCEWRRSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668607 817232353 /nfs/dbraw/zinc/23/23/53/817232353.db2.gz KTRJQGPOCIZJQS-HUUCEWRRSA-N 2 1 275.396 0.542 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127638192 817408900 /nfs/dbraw/zinc/40/89/00/817408900.db2.gz GMALCWVUKHEJLU-CHWSQXEVSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031846049 817411604 /nfs/dbraw/zinc/41/16/04/817411604.db2.gz HWDGJKZAFVKKOE-UHFFFAOYSA-N 2 1 268.320 0.629 20 30 CCEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001124872963 817607235 /nfs/dbraw/zinc/60/72/35/817607235.db2.gz PXQJHXLFUNRNNA-OAHLLOKOSA-N 2 1 286.379 0.858 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001078811919 818055805 /nfs/dbraw/zinc/05/58/05/818055805.db2.gz BHYLUZAIBGAMLZ-UONOGXRCSA-N 2 1 286.379 0.842 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212462551 818140106 /nfs/dbraw/zinc/14/01/06/818140106.db2.gz GKQBAFFAWCUCLJ-MGPQQGTHSA-N 2 1 281.400 0.165 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212462551 818140110 /nfs/dbraw/zinc/14/01/10/818140110.db2.gz GKQBAFFAWCUCLJ-MGPQQGTHSA-N 2 1 281.400 0.165 20 30 CCEDMP CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032960617 818389275 /nfs/dbraw/zinc/38/92/75/818389275.db2.gz XVWLAKPNTLJJCH-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032960617 818389284 /nfs/dbraw/zinc/38/92/84/818389284.db2.gz XVWLAKPNTLJJCH-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032960617 818389293 /nfs/dbraw/zinc/38/92/93/818389293.db2.gz XVWLAKPNTLJJCH-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032960617 818389299 /nfs/dbraw/zinc/38/92/99/818389299.db2.gz XVWLAKPNTLJJCH-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C=CCN1CC2(C[NH+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273031285 818489623 /nfs/dbraw/zinc/48/96/23/818489623.db2.gz UIWJKOYKKCIBQZ-UHFFFAOYSA-N 2 1 279.384 0.085 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082582 818499718 /nfs/dbraw/zinc/49/97/18/818499718.db2.gz SAZKBDDUPRCOPH-LSDHHAIUSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033091140 818506900 /nfs/dbraw/zinc/50/69/00/818506900.db2.gz HNOYBBMDDUYJEH-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033091140 818506908 /nfs/dbraw/zinc/50/69/08/818506908.db2.gz HNOYBBMDDUYJEH-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033091140 818506917 /nfs/dbraw/zinc/50/69/17/818506917.db2.gz HNOYBBMDDUYJEH-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033095505 818512271 /nfs/dbraw/zinc/51/22/71/818512271.db2.gz YSFYUWXLYWJTPU-MGPQQGTHSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095505 818512274 /nfs/dbraw/zinc/51/22/74/818512274.db2.gz YSFYUWXLYWJTPU-MGPQQGTHSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095505 818512280 /nfs/dbraw/zinc/51/22/80/818512280.db2.gz YSFYUWXLYWJTPU-MGPQQGTHSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001044865889 818812741 /nfs/dbraw/zinc/81/27/41/818812741.db2.gz RWELASQCNYTQCA-JSGCOSHPSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001044865888 818813047 /nfs/dbraw/zinc/81/30/47/818813047.db2.gz RWELASQCNYTQCA-GXTWGEPZSA-N 2 1 274.368 0.794 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033596283 818842560 /nfs/dbraw/zinc/84/25/60/818842560.db2.gz XMKBILYYWFPAOM-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033596283 818842563 /nfs/dbraw/zinc/84/25/63/818842563.db2.gz XMKBILYYWFPAOM-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033596283 818842567 /nfs/dbraw/zinc/84/25/67/818842567.db2.gz XMKBILYYWFPAOM-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034042808 819041901 /nfs/dbraw/zinc/04/19/01/819041901.db2.gz PYZXLPPLCQNPEQ-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034042808 819041904 /nfs/dbraw/zinc/04/19/04/819041904.db2.gz PYZXLPPLCQNPEQ-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034042808 819041909 /nfs/dbraw/zinc/04/19/09/819041909.db2.gz PYZXLPPLCQNPEQ-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034525236 819229203 /nfs/dbraw/zinc/22/92/03/819229203.db2.gz KPMORJYWQRQCEL-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525236 819229210 /nfs/dbraw/zinc/22/92/10/819229210.db2.gz KPMORJYWQRQCEL-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525236 819229214 /nfs/dbraw/zinc/22/92/14/819229214.db2.gz KPMORJYWQRQCEL-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001034616907 819262481 /nfs/dbraw/zinc/26/24/81/819262481.db2.gz FSLHGSNVMVPEHI-KKUMJFAQSA-N 2 1 295.427 0.910 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001034616907 819262487 /nfs/dbraw/zinc/26/24/87/819262487.db2.gz FSLHGSNVMVPEHI-KKUMJFAQSA-N 2 1 295.427 0.910 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034779392 819329031 /nfs/dbraw/zinc/32/90/31/819329031.db2.gz STXOZUCINPZXNR-KKUMJFAQSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001079965729 820494738 /nfs/dbraw/zinc/49/47/38/820494738.db2.gz STUQLUXFAOXDFU-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001079965729 820494742 /nfs/dbraw/zinc/49/47/42/820494742.db2.gz STUQLUXFAOXDFU-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001079965729 820494751 /nfs/dbraw/zinc/49/47/51/820494751.db2.gz STUQLUXFAOXDFU-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001079965729 820494757 /nfs/dbraw/zinc/49/47/57/820494757.db2.gz STUQLUXFAOXDFU-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC)C[C@H]2OC)CC1 ZINC001082382966 820954675 /nfs/dbraw/zinc/95/46/75/820954675.db2.gz CFBXKVAAUPVTIR-HUUCEWRRSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166686645 821288859 /nfs/dbraw/zinc/28/88/59/821288859.db2.gz AFXVSTGYEWVOAX-OAHLLOKOSA-N 2 1 283.391 0.928 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001231214661 821510890 /nfs/dbraw/zinc/51/08/90/821510890.db2.gz BSRRDQKDGITQRB-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001231214661 821510894 /nfs/dbraw/zinc/51/08/94/821510894.db2.gz BSRRDQKDGITQRB-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001231214661 821510895 /nfs/dbraw/zinc/51/08/95/821510895.db2.gz BSRRDQKDGITQRB-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001231214661 821510899 /nfs/dbraw/zinc/51/08/99/821510899.db2.gz BSRRDQKDGITQRB-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531148 821772768 /nfs/dbraw/zinc/77/27/68/821772768.db2.gz NAJDNTQCQUWIES-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531148 821772775 /nfs/dbraw/zinc/77/27/75/821772775.db2.gz NAJDNTQCQUWIES-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531148 821772778 /nfs/dbraw/zinc/77/27/78/821772778.db2.gz NAJDNTQCQUWIES-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531148 821772781 /nfs/dbraw/zinc/77/27/81/821772781.db2.gz NAJDNTQCQUWIES-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598756 821840998 /nfs/dbraw/zinc/84/09/98/821840998.db2.gz ZOCZIWNOPJHXOH-CVEARBPZSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598756 821841005 /nfs/dbraw/zinc/84/10/05/821841005.db2.gz ZOCZIWNOPJHXOH-CVEARBPZSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085606156 821845445 /nfs/dbraw/zinc/84/54/45/821845445.db2.gz FHGGXNDPVKDSCL-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085606156 821845455 /nfs/dbraw/zinc/84/54/55/821845455.db2.gz FHGGXNDPVKDSCL-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085606156 821845463 /nfs/dbraw/zinc/84/54/63/821845463.db2.gz FHGGXNDPVKDSCL-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085606156 821845475 /nfs/dbraw/zinc/84/54/75/821845475.db2.gz FHGGXNDPVKDSCL-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968241 822045002 /nfs/dbraw/zinc/04/50/02/822045002.db2.gz FOQLTSADTOYWHI-OLZOCXBDSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968241 822045014 /nfs/dbraw/zinc/04/50/14/822045014.db2.gz FOQLTSADTOYWHI-OLZOCXBDSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085968241 822045019 /nfs/dbraw/zinc/04/50/19/822045019.db2.gz FOQLTSADTOYWHI-OLZOCXBDSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085968241 822045025 /nfs/dbraw/zinc/04/50/25/822045025.db2.gz FOQLTSADTOYWHI-OLZOCXBDSA-N 2 1 251.374 0.657 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001086089570 822108837 /nfs/dbraw/zinc/10/88/37/822108837.db2.gz GDHYEOBRBQQHJI-LJISPDSOSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001086109781 822117057 /nfs/dbraw/zinc/11/70/57/822117057.db2.gz DTVRKNSDFNFBOK-ZNMIVQPWSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001086109781 822117062 /nfs/dbraw/zinc/11/70/62/822117062.db2.gz DTVRKNSDFNFBOK-ZNMIVQPWSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086456492 822265855 /nfs/dbraw/zinc/26/58/55/822265855.db2.gz JICKKQWVTRCXKD-RBSFLKMASA-N 2 1 293.411 0.213 20 30 CCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001114042252 837414711 /nfs/dbraw/zinc/41/47/11/837414711.db2.gz YWHFMOJWNFSCGZ-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114042252 837414714 /nfs/dbraw/zinc/41/47/14/837414714.db2.gz YWHFMOJWNFSCGZ-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114042252 837414717 /nfs/dbraw/zinc/41/47/17/837414717.db2.gz YWHFMOJWNFSCGZ-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C#CC[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129410470 837500960 /nfs/dbraw/zinc/50/09/60/837500960.db2.gz MVEILILDXQCPRQ-CYBMUJFWSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOC1CCC1 ZINC001129770103 837558161 /nfs/dbraw/zinc/55/81/61/837558161.db2.gz ANSISERVODKNJG-HNNXBMFYSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOC1CCC1 ZINC001129770103 837558168 /nfs/dbraw/zinc/55/81/68/837558168.db2.gz ANSISERVODKNJG-HNNXBMFYSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001108356994 835987712 /nfs/dbraw/zinc/98/77/12/835987712.db2.gz UNROGACEWQDNBL-INIZCTEOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001108356994 835987724 /nfs/dbraw/zinc/98/77/24/835987724.db2.gz UNROGACEWQDNBL-INIZCTEOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108356994 835987733 /nfs/dbraw/zinc/98/77/33/835987733.db2.gz UNROGACEWQDNBL-INIZCTEOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108356994 835987741 /nfs/dbraw/zinc/98/77/41/835987741.db2.gz UNROGACEWQDNBL-INIZCTEOSA-N 2 1 295.427 0.559 20 30 CCEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001108395198 836001546 /nfs/dbraw/zinc/00/15/46/836001546.db2.gz PVBRKVQUZHZVGB-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108395198 836001560 /nfs/dbraw/zinc/00/15/60/836001560.db2.gz PVBRKVQUZHZVGB-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108395198 836001574 /nfs/dbraw/zinc/00/15/74/836001574.db2.gz PVBRKVQUZHZVGB-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108395198 836001586 /nfs/dbraw/zinc/00/15/86/836001586.db2.gz PVBRKVQUZHZVGB-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187825243 844789849 /nfs/dbraw/zinc/78/98/49/844789849.db2.gz HDUCHGXTJWIKJY-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109669076 836712086 /nfs/dbraw/zinc/71/20/86/836712086.db2.gz MULZIBHDGDVGFQ-AGIUHOORSA-N 2 1 251.374 0.846 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090432120 836762841 /nfs/dbraw/zinc/76/28/41/836762841.db2.gz IJNRSKRZDDBHHV-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090432120 836762848 /nfs/dbraw/zinc/76/28/48/836762848.db2.gz IJNRSKRZDDBHHV-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001098462272 836945162 /nfs/dbraw/zinc/94/51/62/836945162.db2.gz LTYKGPFMGLYBBO-UHFFFAOYSA-N 2 1 295.427 0.247 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130710764 837898883 /nfs/dbraw/zinc/89/88/83/837898883.db2.gz DBPCYFNZDBWQDU-CYBMUJFWSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CC[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131418127 838094399 /nfs/dbraw/zinc/09/43/99/838094399.db2.gz RRXVYOPJHSVPPT-UHFFFAOYSA-N 2 1 260.341 0.101 20 30 CCEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001273496033 844324025 /nfs/dbraw/zinc/32/40/25/844324025.db2.gz RMZCPGWTJIDSJZ-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273496033 844324035 /nfs/dbraw/zinc/32/40/35/844324035.db2.gz RMZCPGWTJIDSJZ-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001273496033 844324047 /nfs/dbraw/zinc/32/40/47/844324047.db2.gz RMZCPGWTJIDSJZ-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132522231 838425868 /nfs/dbraw/zinc/42/58/68/838425868.db2.gz NFIACQIKDXISHU-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132522231 838425872 /nfs/dbraw/zinc/42/58/72/838425872.db2.gz NFIACQIKDXISHU-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132522231 838425878 /nfs/dbraw/zinc/42/58/78/838425878.db2.gz NFIACQIKDXISHU-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848328 838505638 /nfs/dbraw/zinc/50/56/38/838505638.db2.gz FBSOGBYYOGPOLV-AWEZNQCLSA-N 2 1 299.415 0.004 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848604 838505812 /nfs/dbraw/zinc/50/58/12/838505812.db2.gz MLXXABYMVRVVEA-CQSZACIVSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845890 838745878 /nfs/dbraw/zinc/74/58/78/838745878.db2.gz PMHYOEIYPZVSRC-CYBMUJFWSA-N 2 1 269.389 0.237 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133889949 838766717 /nfs/dbraw/zinc/76/67/17/838766717.db2.gz BJEMEEGLYIYAKB-UHFFFAOYSA-N 2 1 290.367 0.613 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134763298 839065236 /nfs/dbraw/zinc/06/52/36/839065236.db2.gz UFWPZPZVZCKGTK-HNNXBMFYSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C[C@]2(C)C1 ZINC001091748134 840893368 /nfs/dbraw/zinc/89/33/68/840893368.db2.gz BFFBQEMWYJTKDG-RYRKJORJSA-N 2 1 299.418 0.498 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC#C)C[C@@]2(C)C1 ZINC001091748134 840893330 /nfs/dbraw/zinc/89/33/30/840893330.db2.gz BFFBQEMWYJTKDG-RYRKJORJSA-N 2 1 299.418 0.498 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC#C)C[C@@]2(C)C1 ZINC001091748134 840893344 /nfs/dbraw/zinc/89/33/44/840893344.db2.gz BFFBQEMWYJTKDG-RYRKJORJSA-N 2 1 299.418 0.498 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C[C@]2(C)C1 ZINC001091748134 840893361 /nfs/dbraw/zinc/89/33/61/840893361.db2.gz BFFBQEMWYJTKDG-RYRKJORJSA-N 2 1 299.418 0.498 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001092023281 840987007 /nfs/dbraw/zinc/98/70/07/840987007.db2.gz WONGPFMQCPWVGH-YCPHGPKFSA-N 2 1 277.412 0.740 20 30 CCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176636209 842393912 /nfs/dbraw/zinc/39/39/12/842393912.db2.gz LXABRNCZHKYJJI-GFCCVEGCSA-N 2 1 289.807 0.556 20 30 CCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176636209 842393927 /nfs/dbraw/zinc/39/39/27/842393927.db2.gz LXABRNCZHKYJJI-GFCCVEGCSA-N 2 1 289.807 0.556 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001179149696 842967515 /nfs/dbraw/zinc/96/75/15/842967515.db2.gz BSTRNDUTRZNGED-KBPBESRZSA-N 2 1 274.368 0.794 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189478039 845139761 /nfs/dbraw/zinc/13/97/61/845139761.db2.gz OVVJWFHYLPMAHB-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221876 845357631 /nfs/dbraw/zinc/35/76/31/845357631.db2.gz RIWRNHCXXJEPBI-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190901175 845525125 /nfs/dbraw/zinc/52/51/25/845525125.db2.gz VOUTZQQVCGGTCQ-UONOGXRCSA-N 2 1 265.401 0.883 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192161000 845794861 /nfs/dbraw/zinc/79/48/61/845794861.db2.gz GAWPKEXFUZEIAP-CQSZACIVSA-N 2 1 281.400 0.121 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192957452 845935136 /nfs/dbraw/zinc/93/51/36/845935136.db2.gz BZOZRVSTEJJPQW-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193902811 846179964 /nfs/dbraw/zinc/17/99/64/846179964.db2.gz YCTSMZGFBIWTHY-RBSFLKMASA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193902811 846179972 /nfs/dbraw/zinc/17/99/72/846179972.db2.gz YCTSMZGFBIWTHY-RBSFLKMASA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194009450 846195192 /nfs/dbraw/zinc/19/51/92/846195192.db2.gz DFEGNWSITHDBQT-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194009450 846195199 /nfs/dbraw/zinc/19/51/99/846195199.db2.gz DFEGNWSITHDBQT-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194009450 846195200 /nfs/dbraw/zinc/19/52/00/846195200.db2.gz DFEGNWSITHDBQT-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195700407 846606698 /nfs/dbraw/zinc/60/66/98/846606698.db2.gz FAUYXEXSCFTOKP-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001203815951 846622700 /nfs/dbraw/zinc/62/27/00/846622700.db2.gz VNXQQWBBGCUBSC-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203815951 846622704 /nfs/dbraw/zinc/62/27/04/846622704.db2.gz VNXQQWBBGCUBSC-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859608 846634120 /nfs/dbraw/zinc/63/41/20/846634120.db2.gz LVCSSUNOETWGRP-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CCNC(=O)[C@H]1CC12CC[NH+](CCC[NH+](C)C)CC2 ZINC001273711878 846685451 /nfs/dbraw/zinc/68/54/51/846685451.db2.gz LNVPKUCYFAQOEO-CQSZACIVSA-N 2 1 277.412 0.790 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196221897 846707585 /nfs/dbraw/zinc/70/75/85/846707585.db2.gz CBOGOBXVJGLZDV-ZIAGYGMSSA-N 2 1 297.443 0.702 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196221897 846707599 /nfs/dbraw/zinc/70/75/99/846707599.db2.gz CBOGOBXVJGLZDV-ZIAGYGMSSA-N 2 1 297.443 0.702 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203924670 847204282 /nfs/dbraw/zinc/20/42/82/847204282.db2.gz FUNXZGSSZKPEQA-UHFFFAOYSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199788466 847433535 /nfs/dbraw/zinc/43/35/35/847433535.db2.gz QWVNUPWIFBRQBN-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059930 847851649 /nfs/dbraw/zinc/85/16/49/847851649.db2.gz SWIQWXJCDVTNQR-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001202496527 847984104 /nfs/dbraw/zinc/98/41/04/847984104.db2.gz USHVQFNLUPMWOF-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202504173 848002822 /nfs/dbraw/zinc/00/28/22/848002822.db2.gz RAQYWLGSULBSFM-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114464457 848074892 /nfs/dbraw/zinc/07/48/92/848074892.db2.gz UQEUXXOCNLGOCH-RQJABVFESA-N 2 1 265.401 0.949 20 30 CCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)Cn1c[nH+]cc1C ZINC001274202028 848373269 /nfs/dbraw/zinc/37/32/69/848373269.db2.gz KKHGSKNAKJLTJA-ONEGZZNKSA-N 2 1 290.367 0.103 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001275144248 848650415 /nfs/dbraw/zinc/65/04/15/848650415.db2.gz WJNUNALWCKLOIV-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001275144248 848650419 /nfs/dbraw/zinc/65/04/19/848650419.db2.gz WJNUNALWCKLOIV-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001275144248 848650431 /nfs/dbraw/zinc/65/04/31/848650431.db2.gz WJNUNALWCKLOIV-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001275174856 848658216 /nfs/dbraw/zinc/65/82/16/848658216.db2.gz AQCILCUUKQEEAQ-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001275174856 848658222 /nfs/dbraw/zinc/65/82/22/848658222.db2.gz AQCILCUUKQEEAQ-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001275174856 848658228 /nfs/dbraw/zinc/65/82/28/848658228.db2.gz AQCILCUUKQEEAQ-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001275459342 848726722 /nfs/dbraw/zinc/72/67/22/848726722.db2.gz OPLOCKGUBLFFOT-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH+](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001275707557 848796597 /nfs/dbraw/zinc/79/65/97/848796597.db2.gz WGEPOYKZGFGYQH-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)CCC ZINC001275707557 848796601 /nfs/dbraw/zinc/79/66/01/848796601.db2.gz WGEPOYKZGFGYQH-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)CCC ZINC001275707557 848796610 /nfs/dbraw/zinc/79/66/10/848796610.db2.gz WGEPOYKZGFGYQH-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC ZINC001276052120 848911331 /nfs/dbraw/zinc/91/13/31/848911331.db2.gz HDTMGFYWIJOSNK-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC ZINC001276052120 848911339 /nfs/dbraw/zinc/91/13/39/848911339.db2.gz HDTMGFYWIJOSNK-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280055 849149293 /nfs/dbraw/zinc/14/92/93/849149293.db2.gz MLMVWLCDVWNGJI-KFWWJZLASA-N 2 1 293.411 0.309 20 30 CCEDMP C=C[C@H](O)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001253581424 849551825 /nfs/dbraw/zinc/55/18/25/849551825.db2.gz CFYYKHAXNJJPIU-AWEZNQCLSA-N 2 1 281.400 0.195 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000380700090 849684282 /nfs/dbraw/zinc/68/42/82/849684282.db2.gz GSACNQQEAUGGGO-UONOGXRCSA-N 2 1 278.400 0.632 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000380700090 849684276 /nfs/dbraw/zinc/68/42/76/849684276.db2.gz GSACNQQEAUGGGO-UONOGXRCSA-N 2 1 278.400 0.632 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000380700090 849684289 /nfs/dbraw/zinc/68/42/89/849684289.db2.gz GSACNQQEAUGGGO-UONOGXRCSA-N 2 1 278.400 0.632 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041356913 850436700 /nfs/dbraw/zinc/43/67/00/850436700.db2.gz DEAQIUITHBJZMF-RDJZCZTQSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041831674 850510531 /nfs/dbraw/zinc/51/05/31/850510531.db2.gz PDWVZCPMPKETKL-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041831674 850510540 /nfs/dbraw/zinc/51/05/40/850510540.db2.gz PDWVZCPMPKETKL-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041831674 850510544 /nfs/dbraw/zinc/51/05/44/850510544.db2.gz PDWVZCPMPKETKL-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042157630 850584660 /nfs/dbraw/zinc/58/46/60/850584660.db2.gz SNJCWTPXQIQGHT-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042157630 850584667 /nfs/dbraw/zinc/58/46/67/850584667.db2.gz SNJCWTPXQIQGHT-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042356907 850619628 /nfs/dbraw/zinc/61/96/28/850619628.db2.gz JLVYKNPFCPATEW-CABCVRRESA-N 2 1 275.396 0.638 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042538390 850687723 /nfs/dbraw/zinc/68/77/23/850687723.db2.gz LBQOUPOOTVHEQA-ZDUSSCGKSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042538390 850687718 /nfs/dbraw/zinc/68/77/18/850687718.db2.gz LBQOUPOOTVHEQA-ZDUSSCGKSA-N 2 1 251.374 0.799 20 30 CCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001045557176 851280107 /nfs/dbraw/zinc/28/01/07/851280107.db2.gz XGMMPSLQZSYZOS-KBPBESRZSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046331225 851469936 /nfs/dbraw/zinc/46/99/36/851469936.db2.gz HFSTVRGMFFFKLM-UMVBOHGHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046331225 851469942 /nfs/dbraw/zinc/46/99/42/851469942.db2.gz HFSTVRGMFFFKLM-UMVBOHGHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046331225 851469950 /nfs/dbraw/zinc/46/99/50/851469950.db2.gz HFSTVRGMFFFKLM-UMVBOHGHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046992937 851654402 /nfs/dbraw/zinc/65/44/02/851654402.db2.gz HOFPUZKEBBUYDD-OLZOCXBDSA-N 2 1 299.365 0.645 20 30 CCEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046992937 851654407 /nfs/dbraw/zinc/65/44/07/851654407.db2.gz HOFPUZKEBBUYDD-OLZOCXBDSA-N 2 1 299.365 0.645 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046992937 851654398 /nfs/dbraw/zinc/65/43/98/851654398.db2.gz HOFPUZKEBBUYDD-OLZOCXBDSA-N 2 1 299.365 0.645 20 30 CCEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046992937 851654411 /nfs/dbraw/zinc/65/44/11/851654411.db2.gz HOFPUZKEBBUYDD-OLZOCXBDSA-N 2 1 299.365 0.645 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863786 852086621 /nfs/dbraw/zinc/08/66/21/852086621.db2.gz LDNWQINUWFQMSR-XHSDSOJGSA-N 2 1 289.423 0.740 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049057175 852149546 /nfs/dbraw/zinc/14/95/46/852149546.db2.gz BBNNLCXARGGOTM-HRCADAONSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049057175 852149551 /nfs/dbraw/zinc/14/95/51/852149551.db2.gz BBNNLCXARGGOTM-HRCADAONSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049057175 852149555 /nfs/dbraw/zinc/14/95/55/852149555.db2.gz BBNNLCXARGGOTM-HRCADAONSA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059758 852152642 /nfs/dbraw/zinc/15/26/42/852152642.db2.gz FWQDFHWGICPXQV-KBXIAJHMSA-N 2 1 277.412 0.760 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059758 852152646 /nfs/dbraw/zinc/15/26/46/852152646.db2.gz FWQDFHWGICPXQV-KBXIAJHMSA-N 2 1 277.412 0.760 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059758 852152651 /nfs/dbraw/zinc/15/26/51/852152651.db2.gz FWQDFHWGICPXQV-KBXIAJHMSA-N 2 1 277.412 0.760 20 30 CCEDMP C=C(C)C[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001492389308 907893676 /nfs/dbraw/zinc/89/36/76/907893676.db2.gz OERZIPNCIBBBNB-UHFFFAOYSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049901406 852393206 /nfs/dbraw/zinc/39/32/06/852393206.db2.gz PCDCMKQYGIWFSD-GJZGRUSLSA-N 2 1 275.396 0.781 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001052933699 852674102 /nfs/dbraw/zinc/67/41/02/852674102.db2.gz CVHHWWJIGVBYCZ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052933699 852674104 /nfs/dbraw/zinc/67/41/04/852674104.db2.gz CVHHWWJIGVBYCZ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052933699 852674105 /nfs/dbraw/zinc/67/41/05/852674105.db2.gz CVHHWWJIGVBYCZ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001054905973 853035246 /nfs/dbraw/zinc/03/52/46/853035246.db2.gz MHVBEOKBLWJQTB-YPMHNXCESA-N 2 1 262.357 0.814 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001072983287 854508957 /nfs/dbraw/zinc/50/89/57/854508957.db2.gz QOFHQSIYKBLARI-KGLIPLIRSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072983287 854508959 /nfs/dbraw/zinc/50/89/59/854508959.db2.gz QOFHQSIYKBLARI-KGLIPLIRSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072983287 854508960 /nfs/dbraw/zinc/50/89/60/854508960.db2.gz QOFHQSIYKBLARI-KGLIPLIRSA-N 2 1 277.412 0.904 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073129769 854535904 /nfs/dbraw/zinc/53/59/04/854535904.db2.gz DSLPGDZQPMRCNV-UHFFFAOYSA-N 2 1 273.380 0.250 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073431336 854558379 /nfs/dbraw/zinc/55/83/79/854558379.db2.gz WVQSKNQPPZZBAC-UHFFFAOYSA-N 2 1 275.396 0.640 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073890544 854659274 /nfs/dbraw/zinc/65/92/74/854659274.db2.gz GBVYLCJAWMPBQM-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073890544 854659276 /nfs/dbraw/zinc/65/92/76/854659276.db2.gz GBVYLCJAWMPBQM-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073890544 854659282 /nfs/dbraw/zinc/65/92/82/854659282.db2.gz GBVYLCJAWMPBQM-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099874348 855013547 /nfs/dbraw/zinc/01/35/47/855013547.db2.gz JWJMBNOOPJSUJQ-KBPBESRZSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973977 855057966 /nfs/dbraw/zinc/05/79/66/855057966.db2.gz LVYXDCDINJGAQQ-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101037132 855257187 /nfs/dbraw/zinc/25/71/87/855257187.db2.gz APOVKUOQNIIMNA-UHFFFAOYSA-N 2 1 251.374 0.444 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369852 855432062 /nfs/dbraw/zinc/43/20/62/855432062.db2.gz IOWKJHCOPIYYMK-RRFJBIMHSA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369852 855432067 /nfs/dbraw/zinc/43/20/67/855432067.db2.gz IOWKJHCOPIYYMK-RRFJBIMHSA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369852 855432070 /nfs/dbraw/zinc/43/20/70/855432070.db2.gz IOWKJHCOPIYYMK-RRFJBIMHSA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102465969 855435866 /nfs/dbraw/zinc/43/58/66/855435866.db2.gz FVEQACQRPRPDLG-HUUCEWRRSA-N 2 1 293.411 0.026 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102465969 855435871 /nfs/dbraw/zinc/43/58/71/855435871.db2.gz FVEQACQRPRPDLG-HUUCEWRRSA-N 2 1 293.411 0.026 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641774 855524998 /nfs/dbraw/zinc/52/49/98/855524998.db2.gz CRPRDZSVHNMFOP-HUUCEWRRSA-N 2 1 297.443 0.825 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115081815 855640286 /nfs/dbraw/zinc/64/02/86/855640286.db2.gz YQTFRBAGLPBERN-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115081815 855640288 /nfs/dbraw/zinc/64/02/88/855640288.db2.gz YQTFRBAGLPBERN-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115081815 855640290 /nfs/dbraw/zinc/64/02/90/855640290.db2.gz YQTFRBAGLPBERN-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115146291 855645829 /nfs/dbraw/zinc/64/58/29/855645829.db2.gz XWQAQNLKJZBGQP-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144314 855645839 /nfs/dbraw/zinc/64/58/39/855645839.db2.gz UZNOEBNDSABQKA-FOLVSLTJSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298696 855659218 /nfs/dbraw/zinc/65/92/18/855659218.db2.gz WBVMMKRPWHXPAR-QLPKVWCKSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001115306537 855660813 /nfs/dbraw/zinc/66/08/13/855660813.db2.gz QLQMGQIRKUGUHM-FXUDXRNXSA-N 2 1 289.423 0.786 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001323479687 912367927 /nfs/dbraw/zinc/36/79/27/912367927.db2.gz KXGIAINBYIMXAJ-UHFFFAOYSA-N 2 1 278.356 0.774 20 30 CCEDMP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001481231459 892401583 /nfs/dbraw/zinc/40/15/83/892401583.db2.gz BJBUBVADRLGULX-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](C)OC ZINC001481241414 892417244 /nfs/dbraw/zinc/41/72/44/892417244.db2.gz XRMFVHPFVCHEHD-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](C)OC ZINC001481241414 892417268 /nfs/dbraw/zinc/41/72/68/892417268.db2.gz XRMFVHPFVCHEHD-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=C)C ZINC001481241014 892418053 /nfs/dbraw/zinc/41/80/53/892418053.db2.gz HSQVDYLKYQBBNM-AWEZNQCLSA-N 2 1 263.385 0.708 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=C)C ZINC001481241014 892418060 /nfs/dbraw/zinc/41/80/60/892418060.db2.gz HSQVDYLKYQBBNM-AWEZNQCLSA-N 2 1 263.385 0.708 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)Cn2ccnc2)C1 ZINC001481465402 892710033 /nfs/dbraw/zinc/71/00/33/892710033.db2.gz SPOLMFZJRHKMTB-AWEZNQCLSA-N 2 1 274.368 0.735 20 30 CCEDMP C#CC[NH2+]C[C@@](C)(NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001481944325 893284420 /nfs/dbraw/zinc/28/44/20/893284420.db2.gz JGFJKEMYALAHAB-MRXNPFEDSA-N 2 1 293.411 0.216 20 30 CCEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001482652654 894451888 /nfs/dbraw/zinc/45/18/88/894451888.db2.gz ZNSVDNHBYADMIP-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001482652654 894451900 /nfs/dbraw/zinc/45/19/00/894451900.db2.gz ZNSVDNHBYADMIP-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001482652654 894451911 /nfs/dbraw/zinc/45/19/11/894451911.db2.gz ZNSVDNHBYADMIP-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001482652654 894451922 /nfs/dbraw/zinc/45/19/22/894451922.db2.gz ZNSVDNHBYADMIP-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001483266396 895398033 /nfs/dbraw/zinc/39/80/33/895398033.db2.gz KPYKPDBDPPZSTH-WCQYABFASA-N 2 1 274.368 0.481 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483340101 895480252 /nfs/dbraw/zinc/48/02/52/895480252.db2.gz XEVNVOVZWDGIMX-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483340099 895480396 /nfs/dbraw/zinc/48/03/96/895480396.db2.gz XEVNVOVZWDGIMX-DZGCQCFKSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001483572161 895655436 /nfs/dbraw/zinc/65/54/36/895655436.db2.gz VHJCMORZTHXBMC-ZIAGYGMSSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CCC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001483598988 895672461 /nfs/dbraw/zinc/67/24/61/895672461.db2.gz PAMJHKBTVLRDFS-HIFRSBDPSA-N 2 1 277.412 0.836 20 30 CCEDMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001484081821 896184145 /nfs/dbraw/zinc/18/41/45/896184145.db2.gz BNHMRYJROGPLDL-HOCLYGCPSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484126091 896202580 /nfs/dbraw/zinc/20/25/80/896202580.db2.gz TUSQKPKPBKHHPZ-DZGCQCFKSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001484473393 896422800 /nfs/dbraw/zinc/42/28/00/896422800.db2.gz SRSSECJFGJRUQX-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001484698609 896545503 /nfs/dbraw/zinc/54/55/03/896545503.db2.gz BBHDFIQQRVNOFE-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001485216053 896859331 /nfs/dbraw/zinc/85/93/31/896859331.db2.gz NEVURDHDGJQJJR-STQMWFEESA-N 2 1 253.390 0.834 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077779023 897483197 /nfs/dbraw/zinc/48/31/97/897483197.db2.gz DCGRTVHSXSKXCL-ZIAGYGMSSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077779023 897483204 /nfs/dbraw/zinc/48/32/04/897483204.db2.gz DCGRTVHSXSKXCL-ZIAGYGMSSA-N 2 1 281.400 0.066 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=C)C ZINC001032453385 897586562 /nfs/dbraw/zinc/58/65/62/897586562.db2.gz WPBSIYUZEYSNPB-JYJNAYRXSA-N 2 1 287.407 0.945 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=C)C ZINC001032453385 897586576 /nfs/dbraw/zinc/58/65/76/897586576.db2.gz WPBSIYUZEYSNPB-JYJNAYRXSA-N 2 1 287.407 0.945 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705852 897948482 /nfs/dbraw/zinc/94/84/82/897948482.db2.gz NUYNGBQSODIWGR-KBPBESRZSA-N 2 1 293.411 0.568 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705852 897948492 /nfs/dbraw/zinc/94/84/92/897948492.db2.gz NUYNGBQSODIWGR-KBPBESRZSA-N 2 1 293.411 0.568 20 30 CCEDMP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CN(CC)CCO1 ZINC001327291901 914465796 /nfs/dbraw/zinc/46/57/96/914465796.db2.gz UXHATSPPWOTKRV-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP CC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001327291901 914465800 /nfs/dbraw/zinc/46/58/00/914465800.db2.gz UXHATSPPWOTKRV-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP CC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001327291901 914465803 /nfs/dbraw/zinc/46/58/03/914465803.db2.gz UXHATSPPWOTKRV-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001327291901 914465808 /nfs/dbraw/zinc/46/58/08/914465808.db2.gz UXHATSPPWOTKRV-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001280660427 900875182 /nfs/dbraw/zinc/87/51/82/900875182.db2.gz XZNONNFDCPFYAH-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CO2 ZINC001327397051 914519484 /nfs/dbraw/zinc/51/94/84/914519484.db2.gz MSMHXAPLTSNLON-UONOGXRCSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001282403854 904470612 /nfs/dbraw/zinc/47/06/12/904470612.db2.gz XPPXHVKYEPYTMD-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001282403854 904470615 /nfs/dbraw/zinc/47/06/15/904470615.db2.gz XPPXHVKYEPYTMD-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001282403854 904470616 /nfs/dbraw/zinc/47/06/16/904470616.db2.gz XPPXHVKYEPYTMD-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001282403854 904470618 /nfs/dbraw/zinc/47/06/18/904470618.db2.gz XPPXHVKYEPYTMD-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001282493173 904492355 /nfs/dbraw/zinc/49/23/55/904492355.db2.gz BCRNAIMGMZCZAK-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001282493173 904492359 /nfs/dbraw/zinc/49/23/59/904492359.db2.gz BCRNAIMGMZCZAK-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001282493173 904492368 /nfs/dbraw/zinc/49/23/68/904492368.db2.gz BCRNAIMGMZCZAK-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001332647460 904550017 /nfs/dbraw/zinc/55/00/17/904550017.db2.gz KTINQYYDNUWFBC-SOUVJXGZSA-N 2 1 297.443 0.654 20 30 CCEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001332647460 904550024 /nfs/dbraw/zinc/55/00/24/904550024.db2.gz KTINQYYDNUWFBC-SOUVJXGZSA-N 2 1 297.443 0.654 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001332647460 904550031 /nfs/dbraw/zinc/55/00/31/904550031.db2.gz KTINQYYDNUWFBC-SOUVJXGZSA-N 2 1 297.443 0.654 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001491850677 907605817 /nfs/dbraw/zinc/60/58/17/907605817.db2.gz WOCYJLAUTFEBKG-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001492221437 907776568 /nfs/dbraw/zinc/77/65/68/907776568.db2.gz VNABGOPGAVMRIN-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492221437 907776584 /nfs/dbraw/zinc/77/65/84/907776584.db2.gz VNABGOPGAVMRIN-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492221437 907776598 /nfs/dbraw/zinc/77/65/98/907776598.db2.gz VNABGOPGAVMRIN-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001492221437 907776607 /nfs/dbraw/zinc/77/66/07/907776607.db2.gz VNABGOPGAVMRIN-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001492221437 907776620 /nfs/dbraw/zinc/77/66/20/907776620.db2.gz VNABGOPGAVMRIN-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCC[N@H+](CC)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001316890503 908818384 /nfs/dbraw/zinc/81/83/84/908818384.db2.gz ZUDMHQXKBUCUIY-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[N@@H+](CC)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001316890503 908818397 /nfs/dbraw/zinc/81/83/97/908818397.db2.gz ZUDMHQXKBUCUIY-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001316890503 908818411 /nfs/dbraw/zinc/81/84/11/908818411.db2.gz ZUDMHQXKBUCUIY-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001316890503 908818427 /nfs/dbraw/zinc/81/84/27/908818427.db2.gz ZUDMHQXKBUCUIY-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001316989694 908898209 /nfs/dbraw/zinc/89/82/09/908898209.db2.gz HIPBRBCXXJEUBR-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001316989694 908898228 /nfs/dbraw/zinc/89/82/28/908898228.db2.gz HIPBRBCXXJEUBR-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317057942 908945477 /nfs/dbraw/zinc/94/54/77/908945477.db2.gz OEYCSVNSRUMWBD-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317136065 909005429 /nfs/dbraw/zinc/00/54/29/909005429.db2.gz XLXJEWOFZGIRMB-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCOCC ZINC001317260254 909098570 /nfs/dbraw/zinc/09/85/70/909098570.db2.gz WXULMJJXHSMTLD-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCOCC ZINC001317260254 909098581 /nfs/dbraw/zinc/09/85/81/909098581.db2.gz WXULMJJXHSMTLD-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317392936 909169702 /nfs/dbraw/zinc/16/97/02/909169702.db2.gz KLXRNMYMZVHKFJ-JHJVBQTASA-N 2 1 253.390 0.997 20 30 CCEDMP C=CCC[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001317460395 909236135 /nfs/dbraw/zinc/23/61/35/909236135.db2.gz ZCFMUHHGJANWFL-UHFFFAOYSA-N 2 1 253.390 0.952 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001319561119 910205330 /nfs/dbraw/zinc/20/53/30/910205330.db2.gz TUROKVLEADJBSI-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001328520897 915248123 /nfs/dbraw/zinc/24/81/23/915248123.db2.gz YIZMTRNFTCKMTK-CYBMUJFWSA-N 2 1 281.400 0.210 20 30 CCEDMP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001329903006 916267020 /nfs/dbraw/zinc/26/70/20/916267020.db2.gz ZSYMJRNTIZMNRX-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001329903006 916267037 /nfs/dbraw/zinc/26/70/37/916267037.db2.gz ZSYMJRNTIZMNRX-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP C=CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001332621689 918320160 /nfs/dbraw/zinc/32/01/60/918320160.db2.gz VLIUBIPWHQBTFP-HUUCEWRRSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001332621689 918320175 /nfs/dbraw/zinc/32/01/75/918320175.db2.gz VLIUBIPWHQBTFP-HUUCEWRRSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001332621689 918320193 /nfs/dbraw/zinc/32/01/93/918320193.db2.gz VLIUBIPWHQBTFP-HUUCEWRRSA-N 2 1 297.443 0.798 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001332898893 918514479 /nfs/dbraw/zinc/51/44/79/918514479.db2.gz MNXBQDRQBLOUPP-ZIAGYGMSSA-N 2 1 295.427 0.461 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001332898893 918514488 /nfs/dbraw/zinc/51/44/88/918514488.db2.gz MNXBQDRQBLOUPP-ZIAGYGMSSA-N 2 1 295.427 0.461 20 30 CCEDMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[C@H]21 ZINC001335790072 920435928 /nfs/dbraw/zinc/43/59/28/920435928.db2.gz ZXRFVCSDTRLXRT-FRRDWIJNSA-N 2 1 264.373 0.560 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001339772251 921821482 /nfs/dbraw/zinc/82/14/82/921821482.db2.gz LORJGALRDZCFFS-AWEZNQCLSA-N 2 1 292.427 0.725 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC001340804930 922227628 /nfs/dbraw/zinc/22/76/28/922227628.db2.gz RDJFSPDLNDFFAF-CYBMUJFWSA-N 2 1 251.374 0.977 20 30 CCEDMP C#CC[NH2+]CC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001340892951 922261139 /nfs/dbraw/zinc/26/11/39/922261139.db2.gz ARYYJEHXLQOWCT-UHFFFAOYSA-N 2 1 275.356 0.311 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001341677070 922624118 /nfs/dbraw/zinc/62/41/18/922624118.db2.gz JFNSSTYZOHNCNW-MJBXVCDLSA-N 2 1 281.400 0.649 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CCOC)CC1 ZINC000068080480 348797135 /nfs/dbraw/zinc/79/71/35/348797135.db2.gz XDYYCDCHTBGTFC-UHFFFAOYSA-N 2 1 295.427 0.416 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000491474141 358294706 /nfs/dbraw/zinc/29/47/06/358294706.db2.gz KHVUHJABENKOFF-UHFFFAOYSA-N 2 1 266.389 0.335 20 30 CCEDMP C#C[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000491640702 358296138 /nfs/dbraw/zinc/29/61/38/358296138.db2.gz ORKZPWCCNSYQFF-GFCCVEGCSA-N 2 1 263.385 0.683 20 30 CCEDMP C#C[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000491640702 358296143 /nfs/dbraw/zinc/29/61/43/358296143.db2.gz ORKZPWCCNSYQFF-GFCCVEGCSA-N 2 1 263.385 0.683 20 30 CCEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000611266461 363699905 /nfs/dbraw/zinc/69/99/05/363699905.db2.gz YJKNOMPHPAODRW-CABCVRRESA-N 2 1 267.417 0.635 20 30 CCEDMP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000594439666 360308480 /nfs/dbraw/zinc/30/84/80/360308480.db2.gz YKADELNMPGKJQY-WCQYABFASA-N 2 1 264.373 0.751 20 30 CCEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]2C1 ZINC000594443585 360312061 /nfs/dbraw/zinc/31/20/61/360312061.db2.gz RWSQDSKTKUWHJD-HZSPNIEDSA-N 2 1 278.400 0.950 20 30 CCEDMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595944563 360722735 /nfs/dbraw/zinc/72/27/35/360722735.db2.gz NPDXJYIMMUMRSL-RYUDHWBXSA-N 2 1 252.362 0.608 20 30 CCEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)CC(C)(C)C#N ZINC000598599926 361454806 /nfs/dbraw/zinc/45/48/06/361454806.db2.gz SGQCKJOLAWICFR-HNNXBMFYSA-N 2 1 296.459 0.856 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636741282 373735705 /nfs/dbraw/zinc/73/57/05/373735705.db2.gz UNPWJVMJRZWHQC-AWEZNQCLSA-N 2 1 296.415 0.003 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000358231489 389145026 /nfs/dbraw/zinc/14/50/26/389145026.db2.gz TVRHRIRAOSUOEI-AWEZNQCLSA-N 2 1 294.443 0.389 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@@H+](C)CC2CCOCC2)CC1 ZINC000155787551 389321474 /nfs/dbraw/zinc/32/14/74/389321474.db2.gz FNTLAVCLJQBWFK-UHFFFAOYSA-N 2 1 293.411 0.122 20 30 CCEDMP C[NH+]=C(NCc1nccn1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261995952 389279584 /nfs/dbraw/zinc/27/95/84/389279584.db2.gz SITGTHYLYJYCSU-QWHCGFSZSA-N 2 1 292.431 0.814 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060136 389872748 /nfs/dbraw/zinc/87/27/48/389872748.db2.gz OFIPKUFDPXOSAA-NWDGAFQWSA-N 2 1 282.388 0.448 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420393126 389995967 /nfs/dbraw/zinc/99/59/67/389995967.db2.gz JNOFMNOFBDENIR-CHWSQXEVSA-N 2 1 251.374 0.753 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420393126 389995969 /nfs/dbraw/zinc/99/59/69/389995969.db2.gz JNOFMNOFBDENIR-CHWSQXEVSA-N 2 1 251.374 0.753 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000491566185 390115023 /nfs/dbraw/zinc/11/50/23/390115023.db2.gz DZOQELQMBVTNKO-QWHCGFSZSA-N 2 1 266.389 0.239 20 30 CCEDMP C[C@@H](CNC[C@@H](O)CN(C)CCC#N)[N@H+](C)C1CC1 ZINC000567378316 390696044 /nfs/dbraw/zinc/69/60/44/390696044.db2.gz YCUDTVUGWAGABH-GXTWGEPZSA-N 2 1 268.405 0.265 20 30 CCEDMP C[C@@H](CNC[C@@H](O)CN(C)CCC#N)[N@@H+](C)C1CC1 ZINC000567378316 390696046 /nfs/dbraw/zinc/69/60/46/390696046.db2.gz YCUDTVUGWAGABH-GXTWGEPZSA-N 2 1 268.405 0.265 20 30 CCEDMP C=CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)COC ZINC000661241482 414583864 /nfs/dbraw/zinc/58/38/64/414583864.db2.gz ZAMPSOIBBODSBX-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C=CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)COC ZINC000661241482 414583866 /nfs/dbraw/zinc/58/38/66/414583866.db2.gz ZAMPSOIBBODSBX-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000490631266 261173068 /nfs/dbraw/zinc/17/30/68/261173068.db2.gz UNCPCBYTEGGTGJ-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccccc1 ZINC000264121373 262875624 /nfs/dbraw/zinc/87/56/24/262875624.db2.gz RFOGCFQMQPENJV-UHFFFAOYSA-N 2 1 290.411 0.856 20 30 CCEDMP C[C@]1(O)CCC[NH+](CC#CC[N@@H+]2CCC[C@](C)(O)C2)C1 ZINC000341904081 263364967 /nfs/dbraw/zinc/36/49/67/263364967.db2.gz DCYQEISKFVUSRB-HOTGVXAUSA-N 2 1 280.412 0.683 20 30 CCEDMP C[C@@H](O)[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@@H]([C@H](C)O)C2)C1 ZINC000341905708 263365051 /nfs/dbraw/zinc/36/50/51/263365051.db2.gz CCEQKLDXCHDCQG-QKPAOTATSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H](O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H]([C@H](C)O)C2)C1 ZINC000341905708 263365054 /nfs/dbraw/zinc/36/50/54/263365054.db2.gz CCEQKLDXCHDCQG-QKPAOTATSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H](O)[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H]([C@H](C)O)C2)C1 ZINC000341905708 263365056 /nfs/dbraw/zinc/36/50/56/263365056.db2.gz CCEQKLDXCHDCQG-QKPAOTATSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1C[NH+](CC#CC[N@H+]2CC[C@H](O)[C@H](C)C2)CC[C@@H]1O ZINC000342119822 263389960 /nfs/dbraw/zinc/38/99/60/263389960.db2.gz CZCLYBUTMYOSGQ-WCVJEAGWSA-N 2 1 280.412 0.395 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130648323 264359861 /nfs/dbraw/zinc/35/98/61/264359861.db2.gz KJCKUJCLEVMFGI-LBPRGKRZSA-N 2 1 262.357 0.651 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130648323 264359864 /nfs/dbraw/zinc/35/98/64/264359864.db2.gz KJCKUJCLEVMFGI-LBPRGKRZSA-N 2 1 262.357 0.651 20 30 CCEDMP C[C@@]1(CO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@@]1(C)CO ZINC000560162189 327287732 /nfs/dbraw/zinc/28/77/32/327287732.db2.gz NOSDWTPMFCVMNG-HOTGVXAUSA-N 2 1 280.412 0.683 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@H+](C)CC)CC1 ZINC000171726477 329079311 /nfs/dbraw/zinc/07/93/11/329079311.db2.gz KKRPYOVWIIQTJD-UHFFFAOYSA-N 2 1 268.405 0.888 20 30 CCEDMP [NH2+]=C(NC[C@H]1CCCO1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262420167 330009226 /nfs/dbraw/zinc/00/92/26/330009226.db2.gz FGBGPNSYLJJYPK-WDEREUQCSA-N 2 1 263.345 0.281 20 30 CCEDMP C#CCNC(NC[C@H]1C[N@@H+](CC(C)C)CCO1)=[NH+]C ZINC000262506619 330018474 /nfs/dbraw/zinc/01/84/74/330018474.db2.gz AEERSMFGXQWUOD-ZDUSSCGKSA-N 2 1 266.389 0.141 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)CCCC[NH3+] ZINC000491525558 332230365 /nfs/dbraw/zinc/23/03/65/332230365.db2.gz SUVUIKMGVOEEJR-CYBMUJFWSA-N 2 1 268.405 0.758 20 30 CCEDMP C#C[C@@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)C(C)C ZINC000491542534 332233231 /nfs/dbraw/zinc/23/32/31/332233231.db2.gz ARRCCNWRWLBTKC-CYBMUJFWSA-N 2 1 266.389 0.480 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000491568267 332239846 /nfs/dbraw/zinc/23/98/46/332239846.db2.gz PYFGZTCJDNHSQE-UHFFFAOYSA-N 2 1 298.500 0.993 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000491626413 332250133 /nfs/dbraw/zinc/25/01/33/332250133.db2.gz JSUFYXVWTIJEBE-AWEZNQCLSA-N 2 1 282.432 0.971 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+](C)[C@@H](C)CC ZINC000491626413 332250134 /nfs/dbraw/zinc/25/01/34/332250134.db2.gz JSUFYXVWTIJEBE-AWEZNQCLSA-N 2 1 282.432 0.971 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+](C)[C@@H](C)CC ZINC000491626413 332250135 /nfs/dbraw/zinc/25/01/35/332250135.db2.gz JSUFYXVWTIJEBE-AWEZNQCLSA-N 2 1 282.432 0.971 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000491729920 332312102 /nfs/dbraw/zinc/31/21/02/332312102.db2.gz IWJDANQMXYEZDV-QWHCGFSZSA-N 2 1 266.389 0.381 20 30 CCEDMP CC[NH+](CC#CC[N@H+](CC)C[C@H](C)O)C[C@H](C)O ZINC000352194413 527879401 /nfs/dbraw/zinc/87/94/01/527879401.db2.gz JNJTWJRYVPLSLJ-KBPBESRZSA-N 2 1 256.390 0.395 20 30 CCEDMP C[NH+]1CCC(C[N@H+](CCC#N)CCN2CCOCC2)CC1 ZINC000788483908 581113348 /nfs/dbraw/zinc/11/33/48/581113348.db2.gz YAUYZIAXSRZKCO-UHFFFAOYSA-N 2 1 294.443 0.876 20 30 CCEDMP C[NH+]1CCC(C[N@@H+](CCC#N)CCN2CCOCC2)CC1 ZINC000788483908 581113350 /nfs/dbraw/zinc/11/33/50/581113350.db2.gz YAUYZIAXSRZKCO-UHFFFAOYSA-N 2 1 294.443 0.876 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000734789054 581587766 /nfs/dbraw/zinc/58/77/66/581587766.db2.gz FJMBOMFILOBLFZ-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000734789054 581587768 /nfs/dbraw/zinc/58/77/68/581587768.db2.gz FJMBOMFILOBLFZ-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000736193432 581713440 /nfs/dbraw/zinc/71/34/40/581713440.db2.gz YKNYCBIHHBDTQD-HNNXBMFYSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000736193432 581713442 /nfs/dbraw/zinc/71/34/42/581713442.db2.gz YKNYCBIHHBDTQD-HNNXBMFYSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)COC1CC[NH+](C)CC1 ZINC000820687909 613073313 /nfs/dbraw/zinc/07/33/13/613073313.db2.gz DWTYAGZZHLNUOA-UHFFFAOYSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000965841660 612954263 /nfs/dbraw/zinc/95/42/63/612954263.db2.gz JRECOSOFUSMBDW-HOUHCIJLSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000969411391 612994029 /nfs/dbraw/zinc/99/40/29/612994029.db2.gz KCXFZLQJOVWTGO-OCCSQVGLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000843804409 612998868 /nfs/dbraw/zinc/99/88/68/612998868.db2.gz XWRRKAIMZVLWSM-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000961776564 613042875 /nfs/dbraw/zinc/04/28/75/613042875.db2.gz DOVMUADNBAQWLW-FOLVSLTJSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000961776564 613042876 /nfs/dbraw/zinc/04/28/76/613042876.db2.gz DOVMUADNBAQWLW-FOLVSLTJSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000961776564 613042877 /nfs/dbraw/zinc/04/28/77/613042877.db2.gz DOVMUADNBAQWLW-FOLVSLTJSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CCN(C(=O)N[C@@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000914315297 613067974 /nfs/dbraw/zinc/06/79/74/613067974.db2.gz PKVSCZPYCMVPSQ-CQSZACIVSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC000854094510 613073524 /nfs/dbraw/zinc/07/35/24/613073524.db2.gz UCMMDXJOVGKQQT-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N(CC)[C@H]1CC[NH+](C)C1 ZINC000854094510 613073525 /nfs/dbraw/zinc/07/35/25/613073525.db2.gz UCMMDXJOVGKQQT-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(CC)[C@H]1CC[NH+](C)C1 ZINC000854094510 613073527 /nfs/dbraw/zinc/07/35/27/613073527.db2.gz UCMMDXJOVGKQQT-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891921567 613074777 /nfs/dbraw/zinc/07/47/77/613074777.db2.gz RPZWQIALDWJVGV-BETUJISGSA-N 2 1 264.373 0.087 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000868581548 613078682 /nfs/dbraw/zinc/07/86/82/613078682.db2.gz JDTMFFPYUJFVON-UHFFFAOYSA-N 2 1 291.399 0.130 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971675839 613082332 /nfs/dbraw/zinc/08/23/32/613082332.db2.gz BQKPHHGALDGOKR-ZIAGYGMSSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000972355441 613083363 /nfs/dbraw/zinc/08/33/63/613083363.db2.gz WBULKWSLNJJVCY-OLZOCXBDSA-N 2 1 251.374 0.493 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC000928651065 613133594 /nfs/dbraw/zinc/13/35/94/613133594.db2.gz LRCBHZHRCCSFCS-UHFFFAOYSA-N 2 1 260.341 0.405 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000982119774 613140009 /nfs/dbraw/zinc/14/00/09/613140009.db2.gz GJVSXFMKLJPBHW-UHFFFAOYSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CC[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000982113061 613141530 /nfs/dbraw/zinc/14/15/30/613141530.db2.gz IMSVAMZXHMESNR-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982113061 613141532 /nfs/dbraw/zinc/14/15/32/613141532.db2.gz IMSVAMZXHMESNR-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982113061 613141533 /nfs/dbraw/zinc/14/15/33/613141533.db2.gz IMSVAMZXHMESNR-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC000923554844 613165832 /nfs/dbraw/zinc/16/58/32/613165832.db2.gz LTPMGQTVLWCXQW-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC000923554844 613165834 /nfs/dbraw/zinc/16/58/34/613165834.db2.gz LTPMGQTVLWCXQW-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC000923554844 613165835 /nfs/dbraw/zinc/16/58/35/613165835.db2.gz LTPMGQTVLWCXQW-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC000923554844 613165836 /nfs/dbraw/zinc/16/58/36/613165836.db2.gz LTPMGQTVLWCXQW-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000890371350 613167081 /nfs/dbraw/zinc/16/70/81/613167081.db2.gz SVQYOLDAGLNJOL-OAHLLOKOSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000890371350 613167083 /nfs/dbraw/zinc/16/70/83/613167083.db2.gz SVQYOLDAGLNJOL-OAHLLOKOSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)[C@H]2CCC[N@H+](C)C2)C1 ZINC000896490391 613167202 /nfs/dbraw/zinc/16/72/02/613167202.db2.gz SIIJBXBZLOFUEF-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)C1 ZINC000896490391 613167203 /nfs/dbraw/zinc/16/72/03/613167203.db2.gz SIIJBXBZLOFUEF-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)[C@H]2CCC[NH+](C)C2)C1 ZINC000896490391 613167204 /nfs/dbraw/zinc/16/72/04/613167204.db2.gz SIIJBXBZLOFUEF-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@H]2CCC[NH+](C)C2)C1 ZINC000896490391 613167205 /nfs/dbraw/zinc/16/72/05/613167205.db2.gz SIIJBXBZLOFUEF-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000923558773 613181122 /nfs/dbraw/zinc/18/11/22/613181122.db2.gz VNVXSMFHOMWHFP-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000923558773 613181123 /nfs/dbraw/zinc/18/11/23/613181123.db2.gz VNVXSMFHOMWHFP-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912871323 613195144 /nfs/dbraw/zinc/19/51/44/613195144.db2.gz RKBAMDIUAPWTGC-HNNXBMFYSA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912871323 613195146 /nfs/dbraw/zinc/19/51/46/613195146.db2.gz RKBAMDIUAPWTGC-HNNXBMFYSA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887923321 613198131 /nfs/dbraw/zinc/19/81/31/613198131.db2.gz WBKFNQZKOUSKQZ-YCPHGPKFSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000887923321 613198132 /nfs/dbraw/zinc/19/81/32/613198132.db2.gz WBKFNQZKOUSKQZ-YCPHGPKFSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000887923321 613198134 /nfs/dbraw/zinc/19/81/34/613198134.db2.gz WBKFNQZKOUSKQZ-YCPHGPKFSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000887923321 613198136 /nfs/dbraw/zinc/19/81/36/613198136.db2.gz WBKFNQZKOUSKQZ-YCPHGPKFSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCOC)C1 ZINC000969865042 613202250 /nfs/dbraw/zinc/20/22/50/613202250.db2.gz IBNPQOUTEQTMDL-HIFRSBDPSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCOC)C1 ZINC000969865042 613202252 /nfs/dbraw/zinc/20/22/52/613202252.db2.gz IBNPQOUTEQTMDL-HIFRSBDPSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC)C[C@H]21 ZINC000960348255 613202986 /nfs/dbraw/zinc/20/29/86/613202986.db2.gz RTRSBCFGSIQOTP-RFQIPJPRSA-N 2 1 261.369 0.150 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC)C[C@H]21 ZINC000960348255 613202988 /nfs/dbraw/zinc/20/29/88/613202988.db2.gz RTRSBCFGSIQOTP-RFQIPJPRSA-N 2 1 261.369 0.150 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC)C[C@H]21 ZINC000960348255 613202990 /nfs/dbraw/zinc/20/29/90/613202990.db2.gz RTRSBCFGSIQOTP-RFQIPJPRSA-N 2 1 261.369 0.150 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC)C[C@H]21 ZINC000960348255 613202991 /nfs/dbraw/zinc/20/29/91/613202991.db2.gz RTRSBCFGSIQOTP-RFQIPJPRSA-N 2 1 261.369 0.150 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968191325 613218154 /nfs/dbraw/zinc/21/81/54/613218154.db2.gz MICNXEDRGYPPSB-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968191325 613218157 /nfs/dbraw/zinc/21/81/57/613218157.db2.gz MICNXEDRGYPPSB-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978266782 613307788 /nfs/dbraw/zinc/30/77/88/613307788.db2.gz GVLUCGNPGXQWNL-XQLPTFJDSA-N 2 1 298.390 0.688 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978266782 613307790 /nfs/dbraw/zinc/30/77/90/613307790.db2.gz GVLUCGNPGXQWNL-XQLPTFJDSA-N 2 1 298.390 0.688 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000852122761 613324537 /nfs/dbraw/zinc/32/45/37/613324537.db2.gz BGJUUNWINCPUOC-UHFFFAOYSA-N 2 1 295.427 0.198 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887135048 613325132 /nfs/dbraw/zinc/32/51/32/613325132.db2.gz VLDOEMONSBWBMG-AWEZNQCLSA-N 2 1 286.379 0.732 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000876858656 613387707 /nfs/dbraw/zinc/38/77/07/613387707.db2.gz VSLBQZUILMIEPC-MWLCHTKSSA-N 2 1 263.744 0.616 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000876744068 613390109 /nfs/dbraw/zinc/39/01/09/613390109.db2.gz MYXCVKFZHNJHDH-UTUOFQBUSA-N 2 1 287.791 0.436 20 30 CCEDMP C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849044231 613468548 /nfs/dbraw/zinc/46/85/48/613468548.db2.gz ATLZRTZMKYHANK-KBPBESRZSA-N 2 1 296.415 0.414 20 30 CCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970903515 613483149 /nfs/dbraw/zinc/48/31/49/613483149.db2.gz GWZWBEJJCRUOKX-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970903515 613483150 /nfs/dbraw/zinc/48/31/50/613483150.db2.gz GWZWBEJJCRUOKX-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP CC#CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000801145328 613516943 /nfs/dbraw/zinc/51/69/43/613516943.db2.gz QOWFMDWMYWSRBA-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944944290 613597747 /nfs/dbraw/zinc/59/77/47/613597747.db2.gz MEZLAYSBXJANAH-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971272798 613633834 /nfs/dbraw/zinc/63/38/34/613633834.db2.gz ZSVMJTOFQLLJDA-QWHCGFSZSA-N 2 1 267.373 0.036 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971272798 613633836 /nfs/dbraw/zinc/63/38/36/613633836.db2.gz ZSVMJTOFQLLJDA-QWHCGFSZSA-N 2 1 267.373 0.036 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971272798 613633837 /nfs/dbraw/zinc/63/38/37/613633837.db2.gz ZSVMJTOFQLLJDA-QWHCGFSZSA-N 2 1 267.373 0.036 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971272798 613633839 /nfs/dbraw/zinc/63/38/39/613633839.db2.gz ZSVMJTOFQLLJDA-QWHCGFSZSA-N 2 1 267.373 0.036 20 30 CCEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977588342 613827577 /nfs/dbraw/zinc/82/75/77/613827577.db2.gz NMMKBXJPHSTEAW-OLZOCXBDSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977588342 613827579 /nfs/dbraw/zinc/82/75/79/613827579.db2.gz NMMKBXJPHSTEAW-OLZOCXBDSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977588342 613827581 /nfs/dbraw/zinc/82/75/81/613827581.db2.gz NMMKBXJPHSTEAW-OLZOCXBDSA-N 2 1 265.401 0.951 20 30 CCEDMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)c1ccccc1 ZINC000834493603 614904303 /nfs/dbraw/zinc/90/43/03/614904303.db2.gz FTFHBGIYHAJBKC-KKUMJFAQSA-N 2 1 286.379 0.907 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+](C)CCOC ZINC000104173078 615144477 /nfs/dbraw/zinc/14/44/77/615144477.db2.gz FBXDIZDTJXTENA-AWEZNQCLSA-N 3 1 299.463 0.343 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+](C)CCOC ZINC000104173078 615144479 /nfs/dbraw/zinc/14/44/79/615144479.db2.gz FBXDIZDTJXTENA-AWEZNQCLSA-N 3 1 299.463 0.343 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+](C)CCOC ZINC000104173078 615144480 /nfs/dbraw/zinc/14/44/80/615144480.db2.gz FBXDIZDTJXTENA-AWEZNQCLSA-N 3 1 299.463 0.343 20 30 CCEDMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843459974 615779723 /nfs/dbraw/zinc/77/97/23/615779723.db2.gz JXVQVGSFPVVAQJ-GRYCIOLGSA-N 2 1 275.356 0.624 20 30 CCEDMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852860405 616187670 /nfs/dbraw/zinc/18/76/70/616187670.db2.gz PYEATLGPDCUUCA-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372157 623017303 /nfs/dbraw/zinc/01/73/03/623017303.db2.gz OQORUFAASRPORP-ZBFHGGJFSA-N 2 1 289.423 0.790 20 30 CCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001023446431 623033754 /nfs/dbraw/zinc/03/37/54/623033754.db2.gz PMESNJGRPBFVPH-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023446431 623033760 /nfs/dbraw/zinc/03/37/60/623033760.db2.gz PMESNJGRPBFVPH-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023446431 623033766 /nfs/dbraw/zinc/03/37/66/623033766.db2.gz PMESNJGRPBFVPH-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023756673 623132631 /nfs/dbraw/zinc/13/26/31/623132631.db2.gz ZEXGYSWFDUBPBY-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023756673 623132632 /nfs/dbraw/zinc/13/26/32/623132632.db2.gz ZEXGYSWFDUBPBY-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023756673 623132639 /nfs/dbraw/zinc/13/26/39/623132639.db2.gz ZEXGYSWFDUBPBY-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023756673 623132648 /nfs/dbraw/zinc/13/26/48/623132648.db2.gz ZEXGYSWFDUBPBY-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001021927604 624853233 /nfs/dbraw/zinc/85/32/33/624853233.db2.gz HJLNHTHACSUSRD-FRRDWIJNSA-N 2 1 267.373 0.130 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001021927604 624853236 /nfs/dbraw/zinc/85/32/36/624853236.db2.gz HJLNHTHACSUSRD-FRRDWIJNSA-N 2 1 267.373 0.130 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001022103992 624874214 /nfs/dbraw/zinc/87/42/14/624874214.db2.gz QOIMEXYHKDGLFY-FVCCEPFGSA-N 2 1 251.374 0.749 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001027417465 625875085 /nfs/dbraw/zinc/87/50/85/625875085.db2.gz ZECRXDSGKPCFMM-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001027417465 625875088 /nfs/dbraw/zinc/87/50/88/625875088.db2.gz ZECRXDSGKPCFMM-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001027417465 625875090 /nfs/dbraw/zinc/87/50/90/625875090.db2.gz ZECRXDSGKPCFMM-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP N#C[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000903987779 634703824 /nfs/dbraw/zinc/70/38/24/634703824.db2.gz IZLFAZOHHMWSHW-CHWSQXEVSA-N 2 1 264.373 0.419 20 30 CCEDMP N#C[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000903987779 634703827 /nfs/dbraw/zinc/70/38/27/634703827.db2.gz IZLFAZOHHMWSHW-CHWSQXEVSA-N 2 1 264.373 0.419 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001027690860 630855366 /nfs/dbraw/zinc/85/53/66/630855366.db2.gz JVJUUGBSTNVHPO-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001027690860 630855368 /nfs/dbraw/zinc/85/53/68/630855368.db2.gz JVJUUGBSTNVHPO-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001027690860 630855373 /nfs/dbraw/zinc/85/53/73/630855373.db2.gz JVJUUGBSTNVHPO-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001027690860 630855376 /nfs/dbraw/zinc/85/53/76/630855376.db2.gz JVJUUGBSTNVHPO-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000178564069 631385319 /nfs/dbraw/zinc/38/53/19/631385319.db2.gz QZOLTLDPWBWNLP-GFCCVEGCSA-N 2 1 256.394 0.659 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001007004709 650062040 /nfs/dbraw/zinc/06/20/40/650062040.db2.gz WLASMSDTTHHWBP-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001007004709 650062041 /nfs/dbraw/zinc/06/20/41/650062041.db2.gz WLASMSDTTHHWBP-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001007004709 650062044 /nfs/dbraw/zinc/06/20/44/650062044.db2.gz WLASMSDTTHHWBP-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001007004709 650062047 /nfs/dbraw/zinc/06/20/47/650062047.db2.gz WLASMSDTTHHWBP-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000303369487 632483813 /nfs/dbraw/zinc/48/38/13/632483813.db2.gz JQGXLXFSYREVGB-KGLIPLIRSA-N 2 1 283.464 0.963 20 30 CCEDMP CC[C@H](C)NC(=[NH2+])NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303378598 632485401 /nfs/dbraw/zinc/48/54/01/632485401.db2.gz QBWKAHCTXQVBKA-QWHCGFSZSA-N 2 1 297.447 0.632 20 30 CCEDMP CC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303378595 632485496 /nfs/dbraw/zinc/48/54/96/632485496.db2.gz QBWKAHCTXQVBKA-CHWSQXEVSA-N 2 1 297.447 0.632 20 30 CCEDMP COCC[N@@H+](C)CCCNC(=[NH2+])N1CCCCC1 ZINC000303894030 632493551 /nfs/dbraw/zinc/49/35/51/632493551.db2.gz ONMGOYBINDIMKH-UHFFFAOYSA-N 2 1 256.394 0.755 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000985752581 632635494 /nfs/dbraw/zinc/63/54/94/632635494.db2.gz WHPQJARPLYVTOK-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000985752581 632635499 /nfs/dbraw/zinc/63/54/99/632635499.db2.gz WHPQJARPLYVTOK-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985752581 632635506 /nfs/dbraw/zinc/63/55/06/632635506.db2.gz WHPQJARPLYVTOK-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001007948180 650097698 /nfs/dbraw/zinc/09/76/98/650097698.db2.gz ANXHNGYOQVNGEY-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001007948180 650097702 /nfs/dbraw/zinc/09/77/02/650097702.db2.gz ANXHNGYOQVNGEY-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC000989185308 633166007 /nfs/dbraw/zinc/16/60/07/633166007.db2.gz DODKUDLSOUMGER-AAEUAGOBSA-N 2 1 260.341 0.404 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989557044 633327478 /nfs/dbraw/zinc/32/74/78/633327478.db2.gz DXOWTJKBVMVEHY-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC000990027684 633408116 /nfs/dbraw/zinc/40/81/16/633408116.db2.gz VYAMGFDBZNIPBQ-IIAWOOMASA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC000990027684 633408117 /nfs/dbraw/zinc/40/81/17/633408117.db2.gz VYAMGFDBZNIPBQ-IIAWOOMASA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000990027684 633408118 /nfs/dbraw/zinc/40/81/18/633408118.db2.gz VYAMGFDBZNIPBQ-IIAWOOMASA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000990027684 633408119 /nfs/dbraw/zinc/40/81/19/633408119.db2.gz VYAMGFDBZNIPBQ-IIAWOOMASA-N 2 1 275.396 0.827 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001009205561 650140091 /nfs/dbraw/zinc/14/00/91/650140091.db2.gz APZNJYSWNYXLAE-CYBMUJFWSA-N 2 1 274.368 0.567 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010427981 650225051 /nfs/dbraw/zinc/22/50/51/650225051.db2.gz NZGOFPLDAGNZSE-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010427981 650225053 /nfs/dbraw/zinc/22/50/53/650225053.db2.gz NZGOFPLDAGNZSE-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010427981 650225057 /nfs/dbraw/zinc/22/50/57/650225057.db2.gz NZGOFPLDAGNZSE-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010427981 650225059 /nfs/dbraw/zinc/22/50/59/650225059.db2.gz NZGOFPLDAGNZSE-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC000992087878 637300775 /nfs/dbraw/zinc/30/07/75/637300775.db2.gz VYAMGFDBZNIPBQ-FMKPAKJESA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC000992087878 637300784 /nfs/dbraw/zinc/30/07/84/637300784.db2.gz VYAMGFDBZNIPBQ-FMKPAKJESA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000992087878 637300794 /nfs/dbraw/zinc/30/07/94/637300794.db2.gz VYAMGFDBZNIPBQ-FMKPAKJESA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000992087878 637300802 /nfs/dbraw/zinc/30/08/02/637300802.db2.gz VYAMGFDBZNIPBQ-FMKPAKJESA-N 2 1 275.396 0.827 20 30 CCEDMP C[NH+]=C(NCCc1nc(C)no1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083094169 638791052 /nfs/dbraw/zinc/79/10/52/638791052.db2.gz KPLXYOUBOYIQOX-NSHDSACASA-N 2 1 292.387 0.322 20 30 CCEDMP C[NH+]=C(NCCc1nc(C)no1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083094169 638791055 /nfs/dbraw/zinc/79/10/55/638791055.db2.gz KPLXYOUBOYIQOX-NSHDSACASA-N 2 1 292.387 0.322 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014505515 650457111 /nfs/dbraw/zinc/45/71/11/650457111.db2.gz CEFCLYQEBOZINP-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001014505515 650457113 /nfs/dbraw/zinc/45/71/13/650457113.db2.gz CEFCLYQEBOZINP-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001014505515 650457116 /nfs/dbraw/zinc/45/71/16/650457116.db2.gz CEFCLYQEBOZINP-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001014505515 650457119 /nfs/dbraw/zinc/45/71/19/650457119.db2.gz CEFCLYQEBOZINP-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999404738 638980711 /nfs/dbraw/zinc/98/07/11/638980711.db2.gz ZPGVWUHKSQOPGX-HSBZDZAISA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001014628986 650469533 /nfs/dbraw/zinc/46/95/33/650469533.db2.gz KGWTYLCQYMLGJT-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001014628986 650469537 /nfs/dbraw/zinc/46/95/37/650469537.db2.gz KGWTYLCQYMLGJT-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001014628986 650469539 /nfs/dbraw/zinc/46/95/39/650469539.db2.gz KGWTYLCQYMLGJT-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001014628986 650469543 /nfs/dbraw/zinc/46/95/43/650469543.db2.gz KGWTYLCQYMLGJT-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003632538 639581790 /nfs/dbraw/zinc/58/17/90/639581790.db2.gz ARROVFYGDJEYIS-DZGCQCFKSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004149933 639698228 /nfs/dbraw/zinc/69/82/28/639698228.db2.gz ODJJPEOLXBBRKR-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001016306455 650714572 /nfs/dbraw/zinc/71/45/72/650714572.db2.gz OKWWCPIFLSRUPW-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001016306455 650714573 /nfs/dbraw/zinc/71/45/73/650714573.db2.gz OKWWCPIFLSRUPW-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016306455 650714574 /nfs/dbraw/zinc/71/45/74/650714574.db2.gz OKWWCPIFLSRUPW-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016306455 650714575 /nfs/dbraw/zinc/71/45/75/650714575.db2.gz OKWWCPIFLSRUPW-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001016336423 650719902 /nfs/dbraw/zinc/71/99/02/650719902.db2.gz KTXZIOATSJALTM-OAHLLOKOSA-N 2 1 273.380 0.155 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001016336423 650719906 /nfs/dbraw/zinc/71/99/06/650719906.db2.gz KTXZIOATSJALTM-OAHLLOKOSA-N 2 1 273.380 0.155 20 30 CCEDMP N#Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000843062724 642982914 /nfs/dbraw/zinc/98/29/14/642982914.db2.gz ROWWSMBQGBWYQD-HOTGVXAUSA-N 2 1 289.379 0.638 20 30 CCEDMP C[C@H](C#N)OCCN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852707795 643989367 /nfs/dbraw/zinc/98/93/67/643989367.db2.gz KXZQRTJXBBQUSA-OCCSQVGLSA-N 2 1 267.373 0.446 20 30 CCEDMP N#Cc1ccc(NCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)nc1 ZINC000863550304 645107052 /nfs/dbraw/zinc/10/70/52/645107052.db2.gz TZPCQJPPCICHTM-CQSZACIVSA-N 2 1 289.383 0.411 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C(C)C)C1 ZINC001020251432 651053095 /nfs/dbraw/zinc/05/30/95/651053095.db2.gz MQFVTFPWQUJBRS-IHRRRGAJSA-N 2 1 263.385 0.729 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C(C)C)C1 ZINC001020251432 651053098 /nfs/dbraw/zinc/05/30/98/651053098.db2.gz MQFVTFPWQUJBRS-IHRRRGAJSA-N 2 1 263.385 0.729 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001020340330 651060073 /nfs/dbraw/zinc/06/00/73/651060073.db2.gz NTHDQBDTUCKSGI-RBSFLKMASA-N 2 1 277.412 0.977 20 30 CCEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H](C)COC)C1 ZINC000303883942 649826189 /nfs/dbraw/zinc/82/61/89/649826189.db2.gz MMDUQZIIJSBYTA-RYUDHWBXSA-N 2 1 256.394 0.658 20 30 CCEDMP CCNC(NCCCCN1CC[NH+](CC)CC1)=[NH+]CC ZINC000303254808 649813398 /nfs/dbraw/zinc/81/33/98/649813398.db2.gz FDTPXEQJISHLPU-UHFFFAOYSA-N 2 1 283.464 0.979 20 30 CCEDMP C[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000303874340 649825982 /nfs/dbraw/zinc/82/59/82/649825982.db2.gz HDKCKNVADVPWCA-LSDHHAIUSA-N 2 1 295.475 0.917 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC)C1 ZINC000303881395 649826314 /nfs/dbraw/zinc/82/63/14/649826314.db2.gz HRVLHEPHFQCTKJ-LBPRGKRZSA-N 2 1 256.394 0.659 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OC)n1 ZINC000303988924 649828071 /nfs/dbraw/zinc/82/80/71/649828071.db2.gz WYXXWWLYCRIDKC-ZDUSSCGKSA-N 2 1 291.399 0.979 20 30 CCEDMP C[C@@H](CNC(=[NH2+])N1CCCCC1)C[NH+]1CCOCC1 ZINC000304764947 649838791 /nfs/dbraw/zinc/83/87/91/649838791.db2.gz YQVFQVLRBOBHQC-ZDUSSCGKSA-N 2 1 268.405 0.755 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304763894 649838944 /nfs/dbraw/zinc/83/89/44/649838944.db2.gz XJKBNWACKQXHOK-CYBMUJFWSA-N 2 1 286.420 0.286 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCCS1 ZINC000304998556 649840591 /nfs/dbraw/zinc/84/05/91/649840591.db2.gz GMDTXCQPBNYRFS-LBPRGKRZSA-N 2 1 286.445 0.509 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCCS1 ZINC000304998555 649840607 /nfs/dbraw/zinc/84/06/07/649840607.db2.gz GMDTXCQPBNYRFS-GFCCVEGCSA-N 2 1 286.445 0.509 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001266480585 790775825 /nfs/dbraw/zinc/77/58/25/790775825.db2.gz UBHJZCHECCQCJU-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001266611467 791023381 /nfs/dbraw/zinc/02/33/81/791023381.db2.gz KPXULEVRHJQSDW-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001266611467 791023389 /nfs/dbraw/zinc/02/33/89/791023389.db2.gz KPXULEVRHJQSDW-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001266611467 791023396 /nfs/dbraw/zinc/02/33/96/791023396.db2.gz KPXULEVRHJQSDW-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001277561741 805850260 /nfs/dbraw/zinc/85/02/60/805850260.db2.gz CDEFRFCZBXRMAS-KGLIPLIRSA-N 2 1 281.400 0.071 20 30 CCEDMP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001277561741 805850268 /nfs/dbraw/zinc/85/02/68/805850268.db2.gz CDEFRFCZBXRMAS-KGLIPLIRSA-N 2 1 281.400 0.071 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267041879 791473559 /nfs/dbraw/zinc/47/35/59/791473559.db2.gz SRMFWFLFBVHNIL-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267068781 791496452 /nfs/dbraw/zinc/49/64/52/791496452.db2.gz ITVJQGCMMLZACI-KGLIPLIRSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001267069515 791497331 /nfs/dbraw/zinc/49/73/31/791497331.db2.gz YGVVRDNJUKQSDS-CQSZACIVSA-N 2 1 274.368 0.653 20 30 CCEDMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267215994 791686941 /nfs/dbraw/zinc/68/69/41/791686941.db2.gz KBUCNIXRXOVSMP-DZGCQCFKSA-N 2 1 277.412 0.788 20 30 CCEDMP N#CCOc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1 ZINC001234980688 806323893 /nfs/dbraw/zinc/32/38/93/806323893.db2.gz HHOHRBAKFBHUSX-MRXNPFEDSA-N 2 1 286.379 0.726 20 30 CCEDMP N#Cc1ccc(CCN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1 ZINC001234981950 806326316 /nfs/dbraw/zinc/32/63/16/806326316.db2.gz PZRYALWUSQSSMP-MRXNPFEDSA-N 2 1 270.380 0.738 20 30 CCEDMP N#Cc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1F ZINC001234989819 806335561 /nfs/dbraw/zinc/33/55/61/806335561.db2.gz UBSHOHRJJOBXSN-OAHLLOKOSA-N 2 1 274.343 0.835 20 30 CCEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001277938983 806412068 /nfs/dbraw/zinc/41/20/68/806412068.db2.gz XPBXYKHQBQKMLI-TZMCWYRMSA-N 2 1 288.395 0.824 20 30 CCEDMP C=CC[N@H+](C)CCN(CC)C(=O)C[NH+]1CCC(CO)CC1 ZINC001139873737 799851517 /nfs/dbraw/zinc/85/15/17/799851517.db2.gz CDWLYZVQHYHSIC-UHFFFAOYSA-N 2 1 297.443 0.657 20 30 CCEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150225773 800325058 /nfs/dbraw/zinc/32/50/58/800325058.db2.gz UTFBSURUXPQWJD-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150293196 800330436 /nfs/dbraw/zinc/33/04/36/800330436.db2.gz WAJDRHFELCAISE-LSDHHAIUSA-N 2 1 297.443 0.966 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151115342 800401034 /nfs/dbraw/zinc/40/10/34/800401034.db2.gz VLPCUOWTPVPSDU-UHFFFAOYSA-N 2 1 250.346 0.864 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC#CC ZINC001153867815 800682510 /nfs/dbraw/zinc/68/25/10/800682510.db2.gz GZCSWUAPQYLTTN-CVEARBPZSA-N 2 1 289.423 0.934 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC#CC ZINC001153867815 800682513 /nfs/dbraw/zinc/68/25/13/800682513.db2.gz GZCSWUAPQYLTTN-CVEARBPZSA-N 2 1 289.423 0.934 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC#CC ZINC001153867815 800682514 /nfs/dbraw/zinc/68/25/14/800682514.db2.gz GZCSWUAPQYLTTN-CVEARBPZSA-N 2 1 289.423 0.934 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC#CC ZINC001153867815 800682517 /nfs/dbraw/zinc/68/25/17/800682517.db2.gz GZCSWUAPQYLTTN-CVEARBPZSA-N 2 1 289.423 0.934 20 30 CCEDMP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001279810399 809997411 /nfs/dbraw/zinc/99/74/11/809997411.db2.gz QGWPIRIBPBFLFS-GJZGRUSLSA-N 2 1 295.427 0.151 20 30 CCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001204799489 803101821 /nfs/dbraw/zinc/10/18/21/803101821.db2.gz YFJREQOUTYXOBJ-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCn1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205681717 803155184 /nfs/dbraw/zinc/15/51/84/803155184.db2.gz MUUGZEKOYXHZLG-AWEZNQCLSA-N 2 1 264.373 0.745 20 30 CCEDMP C=CCn1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205681717 803155185 /nfs/dbraw/zinc/15/51/85/803155185.db2.gz MUUGZEKOYXHZLG-AWEZNQCLSA-N 2 1 264.373 0.745 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207733950 803443146 /nfs/dbraw/zinc/44/31/46/803443146.db2.gz BONIMSSPZUJPDW-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207733950 803443149 /nfs/dbraw/zinc/44/31/49/803443149.db2.gz BONIMSSPZUJPDW-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001276562949 803495675 /nfs/dbraw/zinc/49/56/75/803495675.db2.gz JPTTUFATHBSGCL-HUUCEWRRSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001276562949 803495677 /nfs/dbraw/zinc/49/56/77/803495677.db2.gz JPTTUFATHBSGCL-HUUCEWRRSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208698526 803536516 /nfs/dbraw/zinc/53/65/16/803536516.db2.gz BBEIHIAFCVWJDR-KFWWJZLASA-N 2 1 297.443 0.966 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001209640874 803619334 /nfs/dbraw/zinc/61/93/34/803619334.db2.gz DTPKZCGFZRFMCC-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001209643713 803619807 /nfs/dbraw/zinc/61/98/07/803619807.db2.gz VUILSQIYDNVWST-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210147094 803639501 /nfs/dbraw/zinc/63/95/01/803639501.db2.gz ZGGZGBLCXSBKLX-HNNXBMFYSA-N 2 1 293.411 0.313 20 30 CCEDMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H](C)COC)C1 ZINC000303883310 803759464 /nfs/dbraw/zinc/75/94/64/803759464.db2.gz MBEUGKQRECDHDI-NWDGAFQWSA-N 2 1 256.394 0.658 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214863787 803763009 /nfs/dbraw/zinc/76/30/09/803763009.db2.gz WMHBBRZZDGPIKE-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP N#Cc1ccc([C@@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000402166568 803815031 /nfs/dbraw/zinc/81/50/31/803815031.db2.gz RVCPUHYUCFVQIB-ZNMIVQPWSA-N 2 1 257.337 0.743 20 30 CCEDMP N#Cc1ccc([C@@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000402166568 803815041 /nfs/dbraw/zinc/81/50/41/803815041.db2.gz RVCPUHYUCFVQIB-ZNMIVQPWSA-N 2 1 257.337 0.743 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001216221994 803837066 /nfs/dbraw/zinc/83/70/66/803837066.db2.gz QFGCJVGPEJDXTG-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696299 804083131 /nfs/dbraw/zinc/08/31/31/804083131.db2.gz RGNWQZVKBWIQQX-HNNXBMFYSA-N 2 1 287.367 0.099 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805470 804425200 /nfs/dbraw/zinc/42/52/00/804425200.db2.gz JQURJRMEKAAAQP-HZSPNIEDSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220868694 804685851 /nfs/dbraw/zinc/68/58/51/804685851.db2.gz PBBCWWWQLADKRT-YNEHKIRRSA-N 2 1 269.364 0.701 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776845 804843111 /nfs/dbraw/zinc/84/31/11/804843111.db2.gz GLJAILGKALJXQV-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772752 804843792 /nfs/dbraw/zinc/84/37/92/804843792.db2.gz LICVFPOOEUQKND-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001276956794 805015454 /nfs/dbraw/zinc/01/54/54/805015454.db2.gz NRLAFYDMJMJYEP-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001276956794 805015460 /nfs/dbraw/zinc/01/54/60/805015460.db2.gz NRLAFYDMJMJYEP-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001276956794 805015468 /nfs/dbraw/zinc/01/54/68/805015468.db2.gz NRLAFYDMJMJYEP-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001277074665 805164054 /nfs/dbraw/zinc/16/40/54/805164054.db2.gz MAIWKVAMJPUDCI-IHRRRGAJSA-N 2 1 265.401 0.999 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246021443 807120546 /nfs/dbraw/zinc/12/05/46/807120546.db2.gz MNOPBIWWHJWUHI-CHWSQXEVSA-N 2 1 260.353 0.703 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246021443 807120550 /nfs/dbraw/zinc/12/05/50/807120550.db2.gz MNOPBIWWHJWUHI-CHWSQXEVSA-N 2 1 260.353 0.703 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252473181 807884993 /nfs/dbraw/zinc/88/49/93/807884993.db2.gz IDSMKBCUCYWOIY-MGPQQGTHSA-N 2 1 254.374 0.433 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252473181 807885000 /nfs/dbraw/zinc/88/50/00/807885000.db2.gz IDSMKBCUCYWOIY-MGPQQGTHSA-N 2 1 254.374 0.433 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253409141 808062448 /nfs/dbraw/zinc/06/24/48/808062448.db2.gz OZXYNNBDZQYJFF-KBPBESRZSA-N 2 1 269.433 0.975 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(C)C ZINC001278767832 808196050 /nfs/dbraw/zinc/19/60/50/808196050.db2.gz LFGBZMHGWBHWJM-GJZGRUSLSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(C)C ZINC001278767832 808196054 /nfs/dbraw/zinc/19/60/54/808196054.db2.gz LFGBZMHGWBHWJM-GJZGRUSLSA-N 2 1 295.427 0.149 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278815497 808280948 /nfs/dbraw/zinc/28/09/48/808280948.db2.gz FNGITXLCCMBOHY-GDBMZVCRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001278922394 808486012 /nfs/dbraw/zinc/48/60/12/808486012.db2.gz DVEQPDLUHSGZNE-CQSZACIVSA-N 2 1 295.427 0.457 20 30 CCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001278922394 808486017 /nfs/dbraw/zinc/48/60/17/808486017.db2.gz DVEQPDLUHSGZNE-CQSZACIVSA-N 2 1 295.427 0.457 20 30 CCEDMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001261458534 808980707 /nfs/dbraw/zinc/98/07/07/808980707.db2.gz BUESEZPPYZDJCZ-OLZOCXBDSA-N 2 1 266.389 0.808 20 30 CCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001264078365 809628870 /nfs/dbraw/zinc/62/88/70/809628870.db2.gz IWAZZOVILKDXQB-HNNXBMFYSA-N 2 1 295.427 0.247 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCOC)C1CC1 ZINC001265358799 809764076 /nfs/dbraw/zinc/76/40/76/809764076.db2.gz QMTCHWJWXITRRE-GJZGRUSLSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCOC)C1CC1 ZINC001265358799 809764084 /nfs/dbraw/zinc/76/40/84/809764084.db2.gz QMTCHWJWXITRRE-GJZGRUSLSA-N 2 1 293.411 0.215 20 30 CCEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001265381768 809769012 /nfs/dbraw/zinc/76/90/12/809769012.db2.gz AJXVHNFIFUXSHW-LSDHHAIUSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001265381768 809769015 /nfs/dbraw/zinc/76/90/15/809769015.db2.gz AJXVHNFIFUXSHW-LSDHHAIUSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265609556 809813876 /nfs/dbraw/zinc/81/38/76/809813876.db2.gz RRCWIQDBFPPMAW-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCOC ZINC001265786556 809852725 /nfs/dbraw/zinc/85/27/25/809852725.db2.gz PKXPWPTUXNMTMJ-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCOC ZINC001265786556 809852726 /nfs/dbraw/zinc/85/27/26/809852726.db2.gz PKXPWPTUXNMTMJ-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CCC[NH+]1CCOC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001280422085 810019263 /nfs/dbraw/zinc/01/92/63/810019263.db2.gz VGSZSGHPXHBUCG-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCOC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001280422085 810019267 /nfs/dbraw/zinc/01/92/67/810019267.db2.gz VGSZSGHPXHBUCG-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001280422085 810019273 /nfs/dbraw/zinc/01/92/73/810019273.db2.gz VGSZSGHPXHBUCG-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001280422085 810019282 /nfs/dbraw/zinc/01/92/82/810019282.db2.gz VGSZSGHPXHBUCG-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038269785 811120328 /nfs/dbraw/zinc/12/03/28/811120328.db2.gz QJIKLJHFAMAZNO-HUUCEWRRSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267303156 811122611 /nfs/dbraw/zinc/12/26/11/811122611.db2.gz KVOLDPFIWWWZEH-UONOGXRCSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267303156 811122620 /nfs/dbraw/zinc/12/26/20/811122620.db2.gz KVOLDPFIWWWZEH-UONOGXRCSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267303156 811122626 /nfs/dbraw/zinc/12/26/26/811122626.db2.gz KVOLDPFIWWWZEH-UONOGXRCSA-N 2 1 263.385 0.400 20 30 CCEDMP CC#CC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267456404 811318081 /nfs/dbraw/zinc/31/80/81/811318081.db2.gz WJTCKMAWVXDCFN-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083275046 811432637 /nfs/dbraw/zinc/43/26/37/811432637.db2.gz MNHBLCAWQMGTIP-SOUVJXGZSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275046 811432649 /nfs/dbraw/zinc/43/26/49/811432649.db2.gz MNHBLCAWQMGTIP-SOUVJXGZSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275046 811432656 /nfs/dbraw/zinc/43/26/56/811432656.db2.gz MNHBLCAWQMGTIP-SOUVJXGZSA-N 2 1 293.411 0.426 20 30 CCEDMP C=C1CC[NH2+]C[C@@H]1Oc1nc(CC)nc2c1C[NH2+]C2 ZINC001218210789 811467498 /nfs/dbraw/zinc/46/74/98/811467498.db2.gz JIMWYOZJODMMMW-LBPRGKRZSA-N 2 1 260.341 0.939 20 30 CCEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267639007 811600596 /nfs/dbraw/zinc/60/05/96/811600596.db2.gz WPKSGPGIBHXRNS-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267639007 811600603 /nfs/dbraw/zinc/60/06/03/811600603.db2.gz WPKSGPGIBHXRNS-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267639007 811600608 /nfs/dbraw/zinc/60/06/08/811600608.db2.gz WPKSGPGIBHXRNS-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001267788595 811787506 /nfs/dbraw/zinc/78/75/06/811787506.db2.gz ARROJCRQJMEGOB-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[NH2+][C@H](CC)CNC(=O)CC[NH+]1CCOCC1 ZINC001267822588 811816589 /nfs/dbraw/zinc/81/65/89/811816589.db2.gz QDGUASVLUOONEA-CQSZACIVSA-N 2 1 281.400 0.216 20 30 CCEDMP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001268028640 812015314 /nfs/dbraw/zinc/01/53/14/812015314.db2.gz KSLMYMFORHUMKC-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001268028640 812015321 /nfs/dbraw/zinc/01/53/21/812015321.db2.gz KSLMYMFORHUMKC-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001268028640 812015325 /nfs/dbraw/zinc/01/53/25/812015325.db2.gz KSLMYMFORHUMKC-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001268239556 812404393 /nfs/dbraw/zinc/40/43/93/812404393.db2.gz SRNGMBLJLQWDFC-UHFFFAOYSA-N 2 1 251.374 0.494 20 30 CCEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001028330077 812625955 /nfs/dbraw/zinc/62/59/55/812625955.db2.gz XJIYUWYMAYTVLD-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001028330077 812625959 /nfs/dbraw/zinc/62/59/59/812625959.db2.gz XJIYUWYMAYTVLD-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028330077 812625963 /nfs/dbraw/zinc/62/59/63/812625963.db2.gz XJIYUWYMAYTVLD-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028330077 812625965 /nfs/dbraw/zinc/62/59/65/812625965.db2.gz XJIYUWYMAYTVLD-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028548988 812831074 /nfs/dbraw/zinc/83/10/74/812831074.db2.gz JRAHUJVTHLAVBT-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028548988 812831084 /nfs/dbraw/zinc/83/10/84/812831084.db2.gz JRAHUJVTHLAVBT-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)C1 ZINC001269078872 813207016 /nfs/dbraw/zinc/20/70/16/813207016.db2.gz WUKGDUKVMWYJSW-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)C1 ZINC001269078872 813207021 /nfs/dbraw/zinc/20/70/21/813207021.db2.gz WUKGDUKVMWYJSW-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001269078872 813207026 /nfs/dbraw/zinc/20/70/26/813207026.db2.gz WUKGDUKVMWYJSW-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001269078872 813207030 /nfs/dbraw/zinc/20/70/30/813207030.db2.gz WUKGDUKVMWYJSW-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001269295332 813313170 /nfs/dbraw/zinc/31/31/70/813313170.db2.gz CFABOZLODAFWPZ-CABCVRRESA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001269295332 813313177 /nfs/dbraw/zinc/31/31/77/813313177.db2.gz CFABOZLODAFWPZ-CABCVRRESA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001269295332 813313181 /nfs/dbraw/zinc/31/31/81/813313181.db2.gz CFABOZLODAFWPZ-CABCVRRESA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269295332 813313188 /nfs/dbraw/zinc/31/31/88/813313188.db2.gz CFABOZLODAFWPZ-CABCVRRESA-N 2 1 293.411 0.121 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001269393689 813355010 /nfs/dbraw/zinc/35/50/10/813355010.db2.gz JLHAAECCYLKVRE-ZIAGYGMSSA-N 2 1 295.427 0.910 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001269393689 813355016 /nfs/dbraw/zinc/35/50/16/813355016.db2.gz JLHAAECCYLKVRE-ZIAGYGMSSA-N 2 1 295.427 0.910 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001270041850 813596275 /nfs/dbraw/zinc/59/62/75/813596275.db2.gz LFKKZDNZEIOWMU-HDJSIYSDSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001270174760 813663113 /nfs/dbraw/zinc/66/31/13/813663113.db2.gz RCZCQMCUFPZANS-HOCLYGCPSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001270436551 813763162 /nfs/dbraw/zinc/76/31/62/813763162.db2.gz ODZMEWVWPFWGJB-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075800056 814062623 /nfs/dbraw/zinc/06/26/23/814062623.db2.gz PKWIVHOFIUIOLA-ARFHVFGLSA-N 2 1 287.407 0.494 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001088286711 814575419 /nfs/dbraw/zinc/57/54/19/814575419.db2.gz HLOAXWZXNWEGML-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001088286711 814575423 /nfs/dbraw/zinc/57/54/23/814575423.db2.gz HLOAXWZXNWEGML-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001271984439 814661330 /nfs/dbraw/zinc/66/13/30/814661330.db2.gz KFNOLHTWAOMPKE-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001271984439 814661333 /nfs/dbraw/zinc/66/13/33/814661333.db2.gz KFNOLHTWAOMPKE-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001271984439 814661336 /nfs/dbraw/zinc/66/13/36/814661336.db2.gz KFNOLHTWAOMPKE-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001271984439 814661339 /nfs/dbraw/zinc/66/13/39/814661339.db2.gz KFNOLHTWAOMPKE-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046217797 816443896 /nfs/dbraw/zinc/44/38/96/816443896.db2.gz HVINSESKPDMZNH-UKRRQHHQSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976508 817514567 /nfs/dbraw/zinc/51/45/67/817514567.db2.gz NHEPTMXXKNMUOI-JSGCOSHPSA-N 2 1 263.385 0.255 20 30 CCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186003 817683607 /nfs/dbraw/zinc/68/36/07/817683607.db2.gz FPCADASXGZPSOZ-CQSZACIVSA-N 2 1 265.401 0.952 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001033670372 818878359 /nfs/dbraw/zinc/87/83/59/818878359.db2.gz AUXIOHBRWIKYMQ-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001033670372 818878366 /nfs/dbraw/zinc/87/83/66/818878366.db2.gz AUXIOHBRWIKYMQ-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033670372 818878376 /nfs/dbraw/zinc/87/83/76/818878376.db2.gz AUXIOHBRWIKYMQ-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033670372 818878379 /nfs/dbraw/zinc/87/83/79/818878379.db2.gz AUXIOHBRWIKYMQ-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP CNC(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)=[NH+]C ZINC000702603343 819154491 /nfs/dbraw/zinc/15/44/91/819154491.db2.gz RUURDHGGIKTZMR-HNNXBMFYSA-N 2 1 276.384 0.418 20 30 CCEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001273145906 819973457 /nfs/dbraw/zinc/97/34/57/819973457.db2.gz FXAJROUVMNGLHO-UHFFFAOYSA-N 2 1 263.385 0.945 20 30 CCEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001273145906 819973463 /nfs/dbraw/zinc/97/34/63/819973463.db2.gz FXAJROUVMNGLHO-UHFFFAOYSA-N 2 1 263.385 0.945 20 30 CCEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108183042 820091010 /nfs/dbraw/zinc/09/10/10/820091010.db2.gz VJZMSJJKLDRUME-HNNXBMFYSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108183042 820091022 /nfs/dbraw/zinc/09/10/22/820091022.db2.gz VJZMSJJKLDRUME-HNNXBMFYSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001080449805 820574399 /nfs/dbraw/zinc/57/43/99/820574399.db2.gz ZWFPYRJJDXUUNJ-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001080449805 820574389 /nfs/dbraw/zinc/57/43/89/820574389.db2.gz ZWFPYRJJDXUUNJ-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001080449805 820574401 /nfs/dbraw/zinc/57/44/01/820574401.db2.gz ZWFPYRJJDXUUNJ-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080779008 820636288 /nfs/dbraw/zinc/63/62/88/820636288.db2.gz FAOWJNSBYNGMGL-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001080779008 820636292 /nfs/dbraw/zinc/63/62/92/820636292.db2.gz FAOWJNSBYNGMGL-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080779008 820636295 /nfs/dbraw/zinc/63/62/95/820636295.db2.gz FAOWJNSBYNGMGL-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326328 820938144 /nfs/dbraw/zinc/93/81/44/820938144.db2.gz YTHAGIZJPXUNRR-BFHYXJOUSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326328 820938150 /nfs/dbraw/zinc/93/81/50/820938150.db2.gz YTHAGIZJPXUNRR-BFHYXJOUSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326328 820938155 /nfs/dbraw/zinc/93/81/55/820938155.db2.gz YTHAGIZJPXUNRR-BFHYXJOUSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326328 820938159 /nfs/dbraw/zinc/93/81/59/820938159.db2.gz YTHAGIZJPXUNRR-BFHYXJOUSA-N 2 1 281.400 0.330 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702938 821021444 /nfs/dbraw/zinc/02/14/44/821021444.db2.gz PMNNCNWTDZBEMD-RBSFLKMASA-N 2 1 293.411 0.165 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702938 821021455 /nfs/dbraw/zinc/02/14/55/821021455.db2.gz PMNNCNWTDZBEMD-RBSFLKMASA-N 2 1 293.411 0.165 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166694885 821282145 /nfs/dbraw/zinc/28/21/45/821282145.db2.gz YIVUWVOZKLJQCB-KGLIPLIRSA-N 2 1 283.416 0.483 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084629177 821333972 /nfs/dbraw/zinc/33/39/72/821333972.db2.gz IUXNGGCODDTUIX-HUUCEWRRSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084629177 821333980 /nfs/dbraw/zinc/33/39/80/821333980.db2.gz IUXNGGCODDTUIX-HUUCEWRRSA-N 2 1 275.396 0.494 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085158936 821520846 /nfs/dbraw/zinc/52/08/46/821520846.db2.gz BRSFVZMBIGOKBW-RBSFLKMASA-N 2 1 295.427 0.910 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085158936 821520849 /nfs/dbraw/zinc/52/08/49/821520849.db2.gz BRSFVZMBIGOKBW-RBSFLKMASA-N 2 1 295.427 0.910 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100042071 822148897 /nfs/dbraw/zinc/14/88/97/822148897.db2.gz SPPNBSBIGHIOLZ-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100063857 822208348 /nfs/dbraw/zinc/20/83/48/822208348.db2.gz DYWTWVAHRFMLFL-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100063857 822208355 /nfs/dbraw/zinc/20/83/55/822208355.db2.gz DYWTWVAHRFMLFL-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100063857 822208359 /nfs/dbraw/zinc/20/83/59/822208359.db2.gz DYWTWVAHRFMLFL-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130710744 837898494 /nfs/dbraw/zinc/89/84/94/837898494.db2.gz CPAPGRHSSRANFB-AWEZNQCLSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130427243 837791594 /nfs/dbraw/zinc/79/15/94/837791594.db2.gz KRWNAYXSSAHHRY-UHFFFAOYSA-N 2 1 271.405 0.625 20 30 CCEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108395195 836001373 /nfs/dbraw/zinc/00/13/73/836001373.db2.gz PVBRKVQUZHZVGB-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108395195 836001386 /nfs/dbraw/zinc/00/13/86/836001386.db2.gz PVBRKVQUZHZVGB-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108395195 836001400 /nfs/dbraw/zinc/00/14/00/836001400.db2.gz PVBRKVQUZHZVGB-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108395195 836001416 /nfs/dbraw/zinc/00/14/16/836001416.db2.gz PVBRKVQUZHZVGB-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108394861 836003705 /nfs/dbraw/zinc/00/37/05/836003705.db2.gz LJYFRPRJCYJFII-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394861 836003718 /nfs/dbraw/zinc/00/37/18/836003718.db2.gz LJYFRPRJCYJFII-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394861 836003723 /nfs/dbraw/zinc/00/37/23/836003723.db2.gz LJYFRPRJCYJFII-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001086558840 836918865 /nfs/dbraw/zinc/91/88/65/836918865.db2.gz WFTFCUUUMHOOQF-KKUMJFAQSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521997 838119945 /nfs/dbraw/zinc/11/99/45/838119945.db2.gz OVTDEFFJGLNGBZ-BBBYJDLNSA-N 2 1 293.411 0.522 20 30 CCEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001273496032 844324203 /nfs/dbraw/zinc/32/42/03/844324203.db2.gz RMZCPGWTJIDSJZ-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273496032 844324212 /nfs/dbraw/zinc/32/42/12/844324212.db2.gz RMZCPGWTJIDSJZ-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001273496032 844324223 /nfs/dbraw/zinc/32/42/23/844324223.db2.gz RMZCPGWTJIDSJZ-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730094 839759811 /nfs/dbraw/zinc/75/98/11/839759811.db2.gz FWZCNRDPXAFMHJ-KGLIPLIRSA-N 2 1 293.411 0.210 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090809505 839827141 /nfs/dbraw/zinc/82/71/41/839827141.db2.gz UIOJRWZKYZQPKS-UONOGXRCSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090809505 839827145 /nfs/dbraw/zinc/82/71/45/839827145.db2.gz UIOJRWZKYZQPKS-UONOGXRCSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001091201518 840131844 /nfs/dbraw/zinc/13/18/44/840131844.db2.gz WHXWAHACLHATDR-YMAMQOFZSA-N 2 1 295.427 0.766 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001091377719 840194758 /nfs/dbraw/zinc/19/47/58/840194758.db2.gz WFTFCUUUMHOOQF-NRXISQOPSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086880526 840934073 /nfs/dbraw/zinc/93/40/73/840934073.db2.gz DKKGIDMSTJCTNZ-RRFJBIMHSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086880526 840934085 /nfs/dbraw/zinc/93/40/85/840934085.db2.gz DKKGIDMSTJCTNZ-RRFJBIMHSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093193546 841171372 /nfs/dbraw/zinc/17/13/72/841171372.db2.gz JOQUKGJWGUFHFQ-HZSPNIEDSA-N 2 1 263.385 0.255 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193546 841171363 /nfs/dbraw/zinc/17/13/63/841171363.db2.gz JOQUKGJWGUFHFQ-HZSPNIEDSA-N 2 1 263.385 0.255 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093193546 841171367 /nfs/dbraw/zinc/17/13/67/841171367.db2.gz JOQUKGJWGUFHFQ-HZSPNIEDSA-N 2 1 263.385 0.255 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036811353 841243454 /nfs/dbraw/zinc/24/34/54/841243454.db2.gz PJEPADWMDBORKW-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001151049661 843550855 /nfs/dbraw/zinc/55/08/55/843550855.db2.gz VQJGFMUSMDOAEE-HNNXBMFYSA-N 2 1 286.379 0.716 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190653798 845454305 /nfs/dbraw/zinc/45/43/05/845454305.db2.gz GHOFGNPTQFWIOQ-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193621236 846128886 /nfs/dbraw/zinc/12/88/86/846128886.db2.gz DYWLOXOFEFDQDZ-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193621236 846128895 /nfs/dbraw/zinc/12/88/95/846128895.db2.gz DYWLOXOFEFDQDZ-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193621236 846128900 /nfs/dbraw/zinc/12/89/00/846128900.db2.gz DYWLOXOFEFDQDZ-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203794824 846303301 /nfs/dbraw/zinc/30/33/01/846303301.db2.gz ZCMQHHBVQMOFBR-ZIAGYGMSSA-N 2 1 277.412 0.977 20 30 CCEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001195403765 846521819 /nfs/dbraw/zinc/52/18/19/846521819.db2.gz HYDQRPNULRLXAG-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001195403765 846521823 /nfs/dbraw/zinc/52/18/23/846521823.db2.gz HYDQRPNULRLXAG-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001195403765 846521827 /nfs/dbraw/zinc/52/18/27/846521827.db2.gz HYDQRPNULRLXAG-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001195403765 846521831 /nfs/dbraw/zinc/52/18/31/846521831.db2.gz HYDQRPNULRLXAG-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661314 846602860 /nfs/dbraw/zinc/60/28/60/846602860.db2.gz LSNHKEBSLMCTAP-CHWSQXEVSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859565 846633998 /nfs/dbraw/zinc/63/39/98/846633998.db2.gz LCEGSAVDUXSYQE-MGPQQGTHSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198030375 847032972 /nfs/dbraw/zinc/03/29/72/847032972.db2.gz ZANMAXUARZOKIN-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198030375 847032978 /nfs/dbraw/zinc/03/29/78/847032978.db2.gz ZANMAXUARZOKIN-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198030375 847032986 /nfs/dbraw/zinc/03/29/86/847032986.db2.gz ZANMAXUARZOKIN-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199788712 847433385 /nfs/dbraw/zinc/43/33/85/847433385.db2.gz YCCWPXHLHWIJJB-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CCC ZINC001115156438 847476127 /nfs/dbraw/zinc/47/61/27/847476127.db2.gz NYUGOKROCWYLKI-FOLVSLTJSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115156438 847476133 /nfs/dbraw/zinc/47/61/33/847476133.db2.gz NYUGOKROCWYLKI-FOLVSLTJSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115156438 847476139 /nfs/dbraw/zinc/47/61/39/847476139.db2.gz NYUGOKROCWYLKI-FOLVSLTJSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200696138 847680193 /nfs/dbraw/zinc/68/01/93/847680193.db2.gz HYKJNVMPNJAVKX-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201405087 847775763 /nfs/dbraw/zinc/77/57/63/847775763.db2.gz ZZFLBGHQYDCFFU-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202166078 847861382 /nfs/dbraw/zinc/86/13/82/847861382.db2.gz UXNSEMFUPXDOTK-CQSZACIVSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[NH2+]CC1(NC(=O)C[N@H+](C)C2CCC2)CCOCC1 ZINC001273975413 848163720 /nfs/dbraw/zinc/16/37/20/848163720.db2.gz RMQQVYOMQIWLEB-UHFFFAOYSA-N 2 1 295.427 0.912 20 30 CCEDMP C=C[C@](C)(O)C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274614107 848523540 /nfs/dbraw/zinc/52/35/40/848523540.db2.gz BBZGVANRGWRKPD-JKSUJKDBSA-N 2 1 295.427 0.409 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001274731717 848554235 /nfs/dbraw/zinc/55/42/35/848554235.db2.gz DIHVEYXAUFWGDM-AWEZNQCLSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC[C@@H](C)O ZINC001274791363 848566954 /nfs/dbraw/zinc/56/69/54/848566954.db2.gz HAVVUONXMFUZFK-KFWWJZLASA-N 2 1 295.427 0.339 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC[C@@H](C)O ZINC001274791363 848566962 /nfs/dbraw/zinc/56/69/62/848566962.db2.gz HAVVUONXMFUZFK-KFWWJZLASA-N 2 1 295.427 0.339 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCF ZINC001275850628 848845072 /nfs/dbraw/zinc/84/50/72/848845072.db2.gz QADGOYYDXLOZKT-KBPBESRZSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCF ZINC001275850628 848845077 /nfs/dbraw/zinc/84/50/77/848845077.db2.gz QADGOYYDXLOZKT-KBPBESRZSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCCF ZINC001275850628 848845080 /nfs/dbraw/zinc/84/50/80/848845080.db2.gz QADGOYYDXLOZKT-KBPBESRZSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCF ZINC001275850628 848845083 /nfs/dbraw/zinc/84/50/83/848845083.db2.gz QADGOYYDXLOZKT-KBPBESRZSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001275976323 848878242 /nfs/dbraw/zinc/87/82/42/848878242.db2.gz BSUVQPYCSBFHME-OLZOCXBDSA-N 2 1 253.390 0.642 20 30 CCEDMP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001276003874 848887919 /nfs/dbraw/zinc/88/79/19/848887919.db2.gz VCFPTQAMHKBKHK-ZDUSSCGKSA-N 2 1 292.383 0.278 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001276003874 848887922 /nfs/dbraw/zinc/88/79/22/848887922.db2.gz VCFPTQAMHKBKHK-ZDUSSCGKSA-N 2 1 292.383 0.278 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038538228 849934071 /nfs/dbraw/zinc/93/40/71/849934071.db2.gz VFALHYHMGOHSBP-WJEHIRDRSA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038538228 849934076 /nfs/dbraw/zinc/93/40/76/849934076.db2.gz VFALHYHMGOHSBP-WJEHIRDRSA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038538228 849934082 /nfs/dbraw/zinc/93/40/82/849934082.db2.gz VFALHYHMGOHSBP-WJEHIRDRSA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038538228 849934088 /nfs/dbraw/zinc/93/40/88/849934088.db2.gz VFALHYHMGOHSBP-WJEHIRDRSA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038657554 849973080 /nfs/dbraw/zinc/97/30/80/849973080.db2.gz LBJBURQKHACQTD-CYBMUJFWSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038657554 849973087 /nfs/dbraw/zinc/97/30/87/849973087.db2.gz LBJBURQKHACQTD-CYBMUJFWSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001039042356 850136330 /nfs/dbraw/zinc/13/63/30/850136330.db2.gz QLGFVJFBVGVXKF-MRXNPFEDSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041296579 850424205 /nfs/dbraw/zinc/42/42/05/850424205.db2.gz JPXXAZDPTKTDMN-INMHGKMJSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041296579 850424210 /nfs/dbraw/zinc/42/42/10/850424210.db2.gz JPXXAZDPTKTDMN-INMHGKMJSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041296579 850424215 /nfs/dbraw/zinc/42/42/15/850424215.db2.gz JPXXAZDPTKTDMN-INMHGKMJSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044296852 851068483 /nfs/dbraw/zinc/06/84/83/851068483.db2.gz OAXWAIJMKSBLAT-UHFFFAOYSA-N 2 1 251.374 0.801 20 30 CCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001045445086 851261389 /nfs/dbraw/zinc/26/13/89/851261389.db2.gz SLVCFKDLCQCNII-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046844452 851627556 /nfs/dbraw/zinc/62/75/56/851627556.db2.gz BAVVVQUYANHNFU-GDBMZVCRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046844452 851627564 /nfs/dbraw/zinc/62/75/64/851627564.db2.gz BAVVVQUYANHNFU-GDBMZVCRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046844452 851627566 /nfs/dbraw/zinc/62/75/66/851627566.db2.gz BAVVVQUYANHNFU-GDBMZVCRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046844452 851627574 /nfs/dbraw/zinc/62/75/74/851627574.db2.gz BAVVVQUYANHNFU-GDBMZVCRSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863004 852087319 /nfs/dbraw/zinc/08/73/19/852087319.db2.gz CUZYXAGYNREIED-XHSDSOJGSA-N 2 1 289.423 0.740 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049170726 852182855 /nfs/dbraw/zinc/18/28/55/852182855.db2.gz CHYRGLAPFXHVAT-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049170726 852182858 /nfs/dbraw/zinc/18/28/58/852182858.db2.gz CHYRGLAPFXHVAT-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049170726 852182860 /nfs/dbraw/zinc/18/28/60/852182860.db2.gz CHYRGLAPFXHVAT-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049392189 852255202 /nfs/dbraw/zinc/25/52/02/852255202.db2.gz VVDONHDEEFFCGR-ZNMIVQPWSA-N 2 1 293.411 0.568 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001049994685 852417526 /nfs/dbraw/zinc/41/75/26/852417526.db2.gz VDUFBEQYPQNPPG-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001052713207 852644188 /nfs/dbraw/zinc/64/41/88/852644188.db2.gz SXBFBDCFJHEGTR-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052713207 852644193 /nfs/dbraw/zinc/64/41/93/852644193.db2.gz SXBFBDCFJHEGTR-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052713207 852644198 /nfs/dbraw/zinc/64/41/98/852644198.db2.gz SXBFBDCFJHEGTR-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050181207 853332210 /nfs/dbraw/zinc/33/22/10/853332210.db2.gz GBRHIBIUYDGQGF-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050181207 853332218 /nfs/dbraw/zinc/33/22/18/853332218.db2.gz GBRHIBIUYDGQGF-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050181207 853332225 /nfs/dbraw/zinc/33/22/25/853332225.db2.gz GBRHIBIUYDGQGF-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050726762 853420459 /nfs/dbraw/zinc/42/04/59/853420459.db2.gz BLBZNINSEOPINR-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001051241314 853553480 /nfs/dbraw/zinc/55/34/80/853553480.db2.gz LKEULNHCTWCPTL-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001051241314 853553484 /nfs/dbraw/zinc/55/34/84/853553484.db2.gz LKEULNHCTWCPTL-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001051241314 853553487 /nfs/dbraw/zinc/55/34/87/853553487.db2.gz LKEULNHCTWCPTL-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001051241314 853553492 /nfs/dbraw/zinc/55/34/92/853553492.db2.gz LKEULNHCTWCPTL-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052275105 853720770 /nfs/dbraw/zinc/72/07/70/853720770.db2.gz GUSDALPSXGIJSD-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052275105 853720774 /nfs/dbraw/zinc/72/07/74/853720774.db2.gz GUSDALPSXGIJSD-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052275105 853720779 /nfs/dbraw/zinc/72/07/79/853720779.db2.gz GUSDALPSXGIJSD-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052275105 853720783 /nfs/dbraw/zinc/72/07/83/853720783.db2.gz GUSDALPSXGIJSD-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001073430346 854557815 /nfs/dbraw/zinc/55/78/15/854557815.db2.gz DBYKLTPLEQHPHM-UHFFFAOYSA-N 2 1 286.379 0.749 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001073430346 854557821 /nfs/dbraw/zinc/55/78/21/854557821.db2.gz DBYKLTPLEQHPHM-UHFFFAOYSA-N 2 1 286.379 0.749 20 30 CCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073610850 854613777 /nfs/dbraw/zinc/61/37/77/854613777.db2.gz GCPZAHSQHXHUHP-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610850 854613781 /nfs/dbraw/zinc/61/37/81/854613781.db2.gz GCPZAHSQHXHUHP-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610850 854613785 /nfs/dbraw/zinc/61/37/85/854613785.db2.gz GCPZAHSQHXHUHP-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001074832413 854789950 /nfs/dbraw/zinc/78/99/50/854789950.db2.gz MHSQTBACNMELOP-AJNGGQMLSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001098393807 854861481 /nfs/dbraw/zinc/86/14/81/854861481.db2.gz DEAIBDWAURDKLW-YJNKXOJESA-N 2 1 275.396 0.683 20 30 CCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001098393807 854861492 /nfs/dbraw/zinc/86/14/92/854861492.db2.gz DEAIBDWAURDKLW-YJNKXOJESA-N 2 1 275.396 0.683 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001098393807 854861502 /nfs/dbraw/zinc/86/15/02/854861502.db2.gz DEAIBDWAURDKLW-YJNKXOJESA-N 2 1 275.396 0.683 20 30 CCEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100084832 855098069 /nfs/dbraw/zinc/09/80/69/855098069.db2.gz BPOPRNRGZSDFPW-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100084832 855098074 /nfs/dbraw/zinc/09/80/74/855098074.db2.gz BPOPRNRGZSDFPW-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100084832 855098077 /nfs/dbraw/zinc/09/80/77/855098077.db2.gz BPOPRNRGZSDFPW-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132690 855104776 /nfs/dbraw/zinc/10/47/76/855104776.db2.gz XMRPWWFXWXMQDQ-ZIAGYGMSSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132690 855104777 /nfs/dbraw/zinc/10/47/77/855104777.db2.gz XMRPWWFXWXMQDQ-ZIAGYGMSSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132690 855104779 /nfs/dbraw/zinc/10/47/79/855104779.db2.gz XMRPWWFXWXMQDQ-ZIAGYGMSSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100188088 855113318 /nfs/dbraw/zinc/11/33/18/855113318.db2.gz YYAVZCFVEMOVIF-YMAMQOFZSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351500 855284768 /nfs/dbraw/zinc/28/47/68/855284768.db2.gz HXXDTMDOIPHFLK-ZBFHGGJFSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046094 855411483 /nfs/dbraw/zinc/41/14/83/855411483.db2.gz MQQNQMISBXXDNZ-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511058 855442940 /nfs/dbraw/zinc/44/29/40/855442940.db2.gz HOGZHWJQDGLMCS-HUUCEWRRSA-N 2 1 297.443 0.825 20 30 CCEDMP C[NH2+]C[C@H](O)C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001118242297 856219085 /nfs/dbraw/zinc/21/90/85/856219085.db2.gz CWTZUCAHMLCLSJ-ZDUSSCGKSA-N 2 1 276.340 0.057 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001394633819 913328087 /nfs/dbraw/zinc/32/80/87/913328087.db2.gz KGNUTLOATPCCHY-JQWIXIFHSA-N 2 1 289.807 0.147 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001394633819 913328108 /nfs/dbraw/zinc/32/81/08/913328108.db2.gz KGNUTLOATPCCHY-JQWIXIFHSA-N 2 1 289.807 0.147 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001325595355 913485753 /nfs/dbraw/zinc/48/57/53/913485753.db2.gz IMHUMWZNAPCIAF-ZFWWWQNUSA-N 2 1 288.395 0.899 20 30 CCEDMP C#CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001480979842 892009519 /nfs/dbraw/zinc/00/95/19/892009519.db2.gz YSJWUEWCNMSQOP-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001480979842 892009539 /nfs/dbraw/zinc/00/95/39/892009539.db2.gz YSJWUEWCNMSQOP-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001480979842 892009559 /nfs/dbraw/zinc/00/95/59/892009559.db2.gz YSJWUEWCNMSQOP-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001482570905 894254991 /nfs/dbraw/zinc/25/49/91/894254991.db2.gz PGUHUWCPMOBHRD-ZIAGYGMSSA-N 2 1 265.401 0.692 20 30 CCEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507503840 895625824 /nfs/dbraw/zinc/62/58/24/895625824.db2.gz JULCYBHOQXIWTG-ZIAGYGMSSA-N 2 1 283.416 0.313 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483700541 895881904 /nfs/dbraw/zinc/88/19/04/895881904.db2.gz CNDUDLQRCHCUQY-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001483700541 895881907 /nfs/dbraw/zinc/88/19/07/895881907.db2.gz CNDUDLQRCHCUQY-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001483700541 895881909 /nfs/dbraw/zinc/88/19/09/895881909.db2.gz CNDUDLQRCHCUQY-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCOCC1 ZINC001484184747 896223458 /nfs/dbraw/zinc/22/34/58/896223458.db2.gz ZTHZKWVVURHILA-UHFFFAOYSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001484410358 896379757 /nfs/dbraw/zinc/37/97/57/896379757.db2.gz AGHAGGNOMBQXQX-GASCZTMLSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484437685 896405806 /nfs/dbraw/zinc/40/58/06/896405806.db2.gz IJNHOAOUNXWBDQ-INIZCTEOSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001484437685 896405812 /nfs/dbraw/zinc/40/58/12/896405812.db2.gz IJNHOAOUNXWBDQ-INIZCTEOSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001484437685 896405817 /nfs/dbraw/zinc/40/58/17/896405817.db2.gz IJNHOAOUNXWBDQ-INIZCTEOSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001484437685 896405823 /nfs/dbraw/zinc/40/58/23/896405823.db2.gz IJNHOAOUNXWBDQ-INIZCTEOSA-N 2 1 293.411 0.047 20 30 CCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001484842538 896621351 /nfs/dbraw/zinc/62/13/51/896621351.db2.gz UVVCILIKOPYMCZ-INIZCTEOSA-N 2 1 295.427 0.600 20 30 CCEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484950015 896678683 /nfs/dbraw/zinc/67/86/83/896678683.db2.gz QXGQYDBPMIEIHX-AWEZNQCLSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CCN(C)C[C@@H]1CCCN1C(=O)CCc1cncn1C ZINC001485074895 896757482 /nfs/dbraw/zinc/75/74/82/896757482.db2.gz INJKFLLAKDFRDO-HNNXBMFYSA-N 2 1 288.395 0.909 20 30 CCEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001485365956 896997612 /nfs/dbraw/zinc/99/76/12/896997612.db2.gz PQYDSVIVNUFCLT-CQSZACIVSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485827793 897472945 /nfs/dbraw/zinc/47/29/45/897472945.db2.gz REXPPMJGNQZCLV-ZFWWWQNUSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001486034674 898623011 /nfs/dbraw/zinc/62/30/11/898623011.db2.gz SVERIPGFTBBTCC-ZDUSSCGKSA-N 2 1 283.416 0.054 20 30 CCEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001486277152 898735955 /nfs/dbraw/zinc/73/59/55/898735955.db2.gz DHBLVRFYJOKNBD-HZSPNIEDSA-N 2 1 283.416 0.312 20 30 CCEDMP C=CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CCOC ZINC001486429721 898869025 /nfs/dbraw/zinc/86/90/25/898869025.db2.gz YMJHTOOUYWGDRS-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)CCOC ZINC001486429721 898869039 /nfs/dbraw/zinc/86/90/39/898869039.db2.gz YMJHTOOUYWGDRS-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)CCOC ZINC001486429721 898869050 /nfs/dbraw/zinc/86/90/50/898869050.db2.gz YMJHTOOUYWGDRS-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001327063132 914346846 /nfs/dbraw/zinc/34/68/46/914346846.db2.gz GZNXVIFTXXWUOS-CYBMUJFWSA-N 2 1 278.356 0.195 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001491125805 903388275 /nfs/dbraw/zinc/38/82/75/903388275.db2.gz OVMMETCUNFJWRK-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001281613719 904311605 /nfs/dbraw/zinc/31/16/05/904311605.db2.gz RTGQBTGTTWLSPP-ZIAGYGMSSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001281643613 904317979 /nfs/dbraw/zinc/31/79/79/904317979.db2.gz XWEJKJOIQOUXJY-CQSZACIVSA-N 2 1 295.427 0.457 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001281770509 904344822 /nfs/dbraw/zinc/34/48/22/904344822.db2.gz MOGHMSXCIADVMW-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001281968962 904378754 /nfs/dbraw/zinc/37/87/54/904378754.db2.gz RNGGDQRXOIMZJJ-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001282066894 904404586 /nfs/dbraw/zinc/40/45/86/904404586.db2.gz TVAUXOLJEATLTB-HSBZDZAISA-N 2 1 263.385 0.446 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001282887947 904569161 /nfs/dbraw/zinc/56/91/61/904569161.db2.gz YAXXPZFWCSIMEW-ZSOGYDGISA-N 2 1 274.368 0.672 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001282887947 904569172 /nfs/dbraw/zinc/56/91/72/904569172.db2.gz YAXXPZFWCSIMEW-ZSOGYDGISA-N 2 1 274.368 0.672 20 30 CCEDMP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001284819150 905440582 /nfs/dbraw/zinc/44/05/82/905440582.db2.gz ZZHNPURCWQQQEF-IYXRBSQSSA-N 2 1 263.385 0.540 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001379412932 906218389 /nfs/dbraw/zinc/21/83/89/906218389.db2.gz QRRFMCBAZYLSQC-NSHDSACASA-N 2 1 289.807 0.290 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001491855979 907608711 /nfs/dbraw/zinc/60/87/11/907608711.db2.gz MVXHZGLMDKWCEI-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001491855979 907608719 /nfs/dbraw/zinc/60/87/19/907608719.db2.gz MVXHZGLMDKWCEI-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001492308688 907840147 /nfs/dbraw/zinc/84/01/47/907840147.db2.gz FTONQZXCMKIJBH-CYBMUJFWSA-N 2 1 274.368 0.517 20 30 CCEDMP CC#CCN(C)CCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001492308688 907840156 /nfs/dbraw/zinc/84/01/56/907840156.db2.gz FTONQZXCMKIJBH-CYBMUJFWSA-N 2 1 274.368 0.517 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317536104 908631069 /nfs/dbraw/zinc/63/10/69/908631069.db2.gz VEUJIZRYWJWSGC-CYBMUJFWSA-N 2 1 251.374 0.706 20 30 CCEDMP C=C(C)C[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001316966755 908873837 /nfs/dbraw/zinc/87/38/37/908873837.db2.gz JQAFNXPDTSMPST-OAHLLOKOSA-N 2 1 294.443 0.391 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317306249 909131404 /nfs/dbraw/zinc/13/14/04/909131404.db2.gz VHNAJGRXGGNCLH-ZDUSSCGKSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317322801 909143623 /nfs/dbraw/zinc/14/36/23/909143623.db2.gz QQEGWTRZCYCLPC-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317445946 909212331 /nfs/dbraw/zinc/21/23/31/909212331.db2.gz ORSQXHXQOSOENW-AWEZNQCLSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317445947 909216029 /nfs/dbraw/zinc/21/60/29/909216029.db2.gz ORSQXHXQOSOENW-CQSZACIVSA-N 2 1 263.385 0.400 20 30 CCEDMP CC[N@H+](CC#CCOC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317491474 909259868 /nfs/dbraw/zinc/25/98/68/909259868.db2.gz XRWCUZAJSWYABC-UHFFFAOYSA-N 2 1 293.411 0.170 20 30 CCEDMP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001322550400 911856462 /nfs/dbraw/zinc/85/64/62/911856462.db2.gz ZZFQZJYKEPZCMO-AWEZNQCLSA-N 2 1 261.369 0.155 20 30 CCEDMP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001322550400 911856465 /nfs/dbraw/zinc/85/64/65/911856465.db2.gz ZZFQZJYKEPZCMO-AWEZNQCLSA-N 2 1 261.369 0.155 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001330360862 916577641 /nfs/dbraw/zinc/57/76/41/916577641.db2.gz UMZJPKKSACXURR-TUVASFSCSA-N 2 1 275.396 0.255 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330360862 916577646 /nfs/dbraw/zinc/57/76/46/916577646.db2.gz UMZJPKKSACXURR-TUVASFSCSA-N 2 1 275.396 0.255 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330360862 916577653 /nfs/dbraw/zinc/57/76/53/916577653.db2.gz UMZJPKKSACXURR-TUVASFSCSA-N 2 1 275.396 0.255 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001331469984 917356233 /nfs/dbraw/zinc/35/62/33/917356233.db2.gz LWFRHOAIOYBJIA-AWEZNQCLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001331944480 917742901 /nfs/dbraw/zinc/74/29/01/917742901.db2.gz QNXTZEJOIPLVRR-QWHCGFSZSA-N 2 1 251.374 0.539 20 30 CCEDMP C#CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CCOC ZINC001332914601 918527771 /nfs/dbraw/zinc/52/77/71/918527771.db2.gz XKJKGKORQPTEPZ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CCOC ZINC001332914601 918527781 /nfs/dbraw/zinc/52/77/81/918527781.db2.gz XKJKGKORQPTEPZ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)CCOC ZINC001332914601 918527793 /nfs/dbraw/zinc/52/77/93/918527793.db2.gz XKJKGKORQPTEPZ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP Cn1c[nH+]cc1CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001335954616 920528280 /nfs/dbraw/zinc/52/82/80/920528280.db2.gz PSFLYXRQYBCJEA-GFCCVEGCSA-N 2 1 250.346 0.853 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001336892783 921086225 /nfs/dbraw/zinc/08/62/25/921086225.db2.gz BYONERXMPOFJMO-GOEBONIOSA-N 2 1 292.427 0.854 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001340018727 921917007 /nfs/dbraw/zinc/91/70/07/921917007.db2.gz ISNKLVPFGMQRBR-LSDHHAIUSA-N 2 1 295.427 0.993 20 30 CCEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001421006508 924086725 /nfs/dbraw/zinc/08/67/25/924086725.db2.gz ZWPQSDDIIDLGSX-LLVKDONJSA-N 2 1 271.792 0.929 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001348793177 924805756 /nfs/dbraw/zinc/80/57/56/924805756.db2.gz IIKDWUZPFCOLJG-DZGCQCFKSA-N 2 1 292.427 0.141 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876641 362857596 /nfs/dbraw/zinc/85/75/96/362857596.db2.gz HUXSWNMXNOTYLS-HNNXBMFYSA-N 2 1 296.415 0.137 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000491202124 358292501 /nfs/dbraw/zinc/29/25/01/358292501.db2.gz LWRNDZWKXDVRFL-HNNXBMFYSA-N 2 1 277.412 0.934 20 30 CCEDMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439499 360309309 /nfs/dbraw/zinc/30/93/09/360309309.db2.gz RIAAXZUCFSORJV-CHWSQXEVSA-N 2 1 266.389 0.856 20 30 CCEDMP C[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594440989 360310577 /nfs/dbraw/zinc/31/05/77/360310577.db2.gz KLVSOBADVASJLB-NWDGAFQWSA-N 2 1 252.362 0.608 20 30 CCEDMP C[N@H+]1CC[C@]2(C1)CCCN(CC(=O)NCC#N)C2 ZINC000595507973 360554593 /nfs/dbraw/zinc/55/45/93/360554593.db2.gz SKGAFMCCCOOMAP-ZDUSSCGKSA-N 2 1 250.346 0.044 20 30 CCEDMP C[C@@]1(C#N)CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000595904287 360698945 /nfs/dbraw/zinc/69/89/45/360698945.db2.gz CGHNSKNOMUUBJR-ZDUSSCGKSA-N 2 1 250.346 0.044 20 30 CCEDMP C[C@@]1(C#N)CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000595904287 360698947 /nfs/dbraw/zinc/69/89/47/360698947.db2.gz CGHNSKNOMUUBJR-ZDUSSCGKSA-N 2 1 250.346 0.044 20 30 CCEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000598729327 361499478 /nfs/dbraw/zinc/49/94/78/361499478.db2.gz IJBOEUBDIQIDCB-UONOGXRCSA-N 2 1 283.416 0.724 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2C)CCC[NH2+]1 ZINC000638537287 375124252 /nfs/dbraw/zinc/12/42/52/375124252.db2.gz YEOFNYSILZVQPD-TZMCWYRMSA-N 2 1 251.374 0.895 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C1CC[NH+](CC#C)CC1 ZINC000293872749 388989206 /nfs/dbraw/zinc/98/92/06/388989206.db2.gz CAFOHMCSQJUNOD-UHFFFAOYSA-N 2 1 275.396 0.403 20 30 CCEDMP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)N1 ZINC000262640521 389291211 /nfs/dbraw/zinc/29/12/11/389291211.db2.gz HQWWTMICVGEZLN-MBNYWOFBSA-N 2 1 290.415 0.740 20 30 CCEDMP COCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000264090786 389305978 /nfs/dbraw/zinc/30/59/78/389305978.db2.gz KYSJLUZREQHJIV-UHFFFAOYSA-N 2 1 288.355 0.626 20 30 CCEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])N1CCOCC1 ZINC000267443664 389370918 /nfs/dbraw/zinc/37/09/18/389370918.db2.gz PORGTVAYDRAVNU-UHFFFAOYSA-N 2 1 265.361 0.619 20 30 CCEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C(C)C ZINC000269732119 389426599 /nfs/dbraw/zinc/42/65/99/389426599.db2.gz SJLGZQATELXSFA-STQMWFEESA-N 2 1 296.415 0.004 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351474806 389585600 /nfs/dbraw/zinc/58/56/00/389585600.db2.gz HAJHSEINRXJXPU-BJDJZHNGSA-N 2 1 280.372 0.056 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351474806 389585603 /nfs/dbraw/zinc/58/56/03/389585603.db2.gz HAJHSEINRXJXPU-BJDJZHNGSA-N 2 1 280.372 0.056 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060134 389872849 /nfs/dbraw/zinc/87/28/49/389872849.db2.gz OFIPKUFDPXOSAA-NEPJUHHUSA-N 2 1 282.388 0.448 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000420299374 389980038 /nfs/dbraw/zinc/98/00/38/389980038.db2.gz AYSBTORRIJYKEF-XUXIUFHCSA-N 2 1 263.385 0.833 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](CC)CC1 ZINC000491374441 390112600 /nfs/dbraw/zinc/11/26/00/390112600.db2.gz RMXMAPHGDRPEFQ-UHFFFAOYSA-N 2 1 280.416 0.725 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895345 390711619 /nfs/dbraw/zinc/71/16/19/390711619.db2.gz DKKKXUHCIHMAIT-OLZOCXBDSA-N 2 1 281.400 0.364 20 30 CCEDMP CCOCCC[N@H+]1CCC(N=NC(N)=[NH2+])[C@@H](C)C1 ZINC000735223668 581629832 /nfs/dbraw/zinc/62/98/32/581629832.db2.gz FNWMXEAPXLVADU-JTQLQIEISA-N 2 1 255.366 0.594 20 30 CCEDMP C=CCC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153809 414694263 /nfs/dbraw/zinc/69/42/63/414694263.db2.gz CIRMVPPZRJWPDY-LSDHHAIUSA-N 2 1 268.401 0.845 20 30 CCEDMP C=CCC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153809 414694264 /nfs/dbraw/zinc/69/42/64/414694264.db2.gz CIRMVPPZRJWPDY-LSDHHAIUSA-N 2 1 268.401 0.845 20 30 CCEDMP C[NH+]=C(NCc1ccco1)NC[C@H](C)C[NH+]1CCOCC1 ZINC000127253562 260795140 /nfs/dbraw/zinc/79/51/40/260795140.db2.gz CIYTXAPPHFCGFV-ZDUSSCGKSA-N 2 1 294.399 0.913 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(F)c1 ZINC000264136207 262879021 /nfs/dbraw/zinc/87/90/21/262879021.db2.gz VHYXNQHTPLASEL-UHFFFAOYSA-N 2 1 294.374 0.952 20 30 CCEDMP C=C(C)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000119630946 263275106 /nfs/dbraw/zinc/27/51/06/263275106.db2.gz WPZSHMDWKSRIIE-UHFFFAOYSA-N 2 1 261.373 0.894 20 30 CCEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000341905929 263365430 /nfs/dbraw/zinc/36/54/30/263365430.db2.gz SVARYCZAPJUCRI-SYMSYNOKSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000341905929 263365432 /nfs/dbraw/zinc/36/54/32/263365432.db2.gz SVARYCZAPJUCRI-SYMSYNOKSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000341905929 263365435 /nfs/dbraw/zinc/36/54/35/263365435.db2.gz SVARYCZAPJUCRI-SYMSYNOKSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1[C@H](CO)CC[N@H+]1CC#CC[NH+]1CC[C@H](CO)[C@H]1C ZINC000342115648 263390100 /nfs/dbraw/zinc/39/01/00/263390100.db2.gz ASNXJOASJRZXRG-FPCVCCKLSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1[C@H](CO)CC[N@@H+]1CC#CC[NH+]1CC[C@H](CO)[C@H]1C ZINC000342115648 263390103 /nfs/dbraw/zinc/39/01/03/263390103.db2.gz ASNXJOASJRZXRG-FPCVCCKLSA-N 2 1 280.412 0.395 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COCCOC)CC1 ZINC000583139300 329325780 /nfs/dbraw/zinc/32/57/80/329325780.db2.gz ZJOZOEGKTYAGLU-HNNXBMFYSA-N 2 1 286.416 0.640 20 30 CCEDMP [NH2+]=C(NC[C@@H]1CCCO1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262420163 330009262 /nfs/dbraw/zinc/00/92/62/330009262.db2.gz FGBGPNSYLJJYPK-QWRGUYRKSA-N 2 1 263.345 0.281 20 30 CCEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)NC1CC1 ZINC000262427421 330009799 /nfs/dbraw/zinc/00/97/99/330009799.db2.gz DBXMNOXFJGQCOS-LBPRGKRZSA-N 2 1 256.419 0.751 20 30 CCEDMP CC[N@@H+](CCNC(=[NH2+])N1CCO[C@H](C)C1)C1CC1 ZINC000262448372 330013778 /nfs/dbraw/zinc/01/37/78/330013778.db2.gz JGGGJEBBFYXUQO-LLVKDONJSA-N 2 1 254.378 0.506 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000262512791 330019023 /nfs/dbraw/zinc/01/90/23/330019023.db2.gz MLMXAYABOQQSMP-WCQYABFASA-N 2 1 286.445 0.243 20 30 CCEDMP C[NH+]=C(NCCn1cccn1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262791025 330031783 /nfs/dbraw/zinc/03/17/83/330031783.db2.gz NFPSCCFLOWKTFX-GFCCVEGCSA-N 2 1 276.388 0.285 20 30 CCEDMP C[NH+]=C(NCCn1cccn1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262791025 330031784 /nfs/dbraw/zinc/03/17/84/330031784.db2.gz NFPSCCFLOWKTFX-GFCCVEGCSA-N 2 1 276.388 0.285 20 30 CCEDMP CCC[N@@H+](CC)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424141635 330283493 /nfs/dbraw/zinc/28/34/93/330283493.db2.gz HGYGXYYRJZXGRE-LBPRGKRZSA-N 2 1 254.378 0.856 20 30 CCEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+](C)C1CC1 ZINC000424160824 330306330 /nfs/dbraw/zinc/30/63/30/330306330.db2.gz VBLDVEZUAHKOIZ-CMPLNLGQSA-N 2 1 252.362 0.606 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000491069171 332145302 /nfs/dbraw/zinc/14/53/02/332145302.db2.gz UCKBZVZPQXBVAZ-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000491338040 332192352 /nfs/dbraw/zinc/19/23/52/332192352.db2.gz FUZTYEJFVVTFDM-KBPBESRZSA-N 2 1 278.400 0.335 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@H+]2CCCO[C@H](CC)C2)CC1 ZINC000491632880 332254746 /nfs/dbraw/zinc/25/47/46/332254746.db2.gz RNDXYRBBSPXUCA-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCN1CCN(C(=O)CN2CCCO[C@H](CC)C2)CC1 ZINC000491632880 332254748 /nfs/dbraw/zinc/25/47/48/332254748.db2.gz RNDXYRBBSPXUCA-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000491681483 332284728 /nfs/dbraw/zinc/28/47/28/332284728.db2.gz NOZVQPKZURYPAT-CYBMUJFWSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000491681483 332284729 /nfs/dbraw/zinc/28/47/29/332284729.db2.gz NOZVQPKZURYPAT-CYBMUJFWSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000491681483 332284730 /nfs/dbraw/zinc/28/47/30/332284730.db2.gz NOZVQPKZURYPAT-CYBMUJFWSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000491728390 332311074 /nfs/dbraw/zinc/31/10/74/332311074.db2.gz MHHFHHPGLLMFSH-HUUCEWRRSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000491728390 332311076 /nfs/dbraw/zinc/31/10/76/332311076.db2.gz MHHFHHPGLLMFSH-HUUCEWRRSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000491728390 332311077 /nfs/dbraw/zinc/31/10/77/332311077.db2.gz MHHFHHPGLLMFSH-HUUCEWRRSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC)CC1 ZINC000730273983 581689101 /nfs/dbraw/zinc/68/91/01/581689101.db2.gz HYAIALFRTWOINA-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC)CC1 ZINC000730273983 581689105 /nfs/dbraw/zinc/68/91/05/581689105.db2.gz HYAIALFRTWOINA-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000730283021 581691350 /nfs/dbraw/zinc/69/13/50/581691350.db2.gz NCEPYRCEWGFSRA-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000730283021 581691351 /nfs/dbraw/zinc/69/13/51/581691351.db2.gz NCEPYRCEWGFSRA-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC)C1 ZINC000730283021 581691355 /nfs/dbraw/zinc/69/13/55/581691355.db2.gz NCEPYRCEWGFSRA-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC)C1 ZINC000730283021 581691358 /nfs/dbraw/zinc/69/13/58/581691358.db2.gz NCEPYRCEWGFSRA-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC(C)(C)[NH3+] ZINC000891921304 613075148 /nfs/dbraw/zinc/07/51/48/613075148.db2.gz MQJWKRMNUZSOQO-UHFFFAOYSA-N 2 1 254.378 0.368 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+](C)C ZINC000837318947 613075153 /nfs/dbraw/zinc/07/51/53/613075153.db2.gz ZNCZCHWJCRIVAH-UHFFFAOYSA-N 2 1 254.378 0.192 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CCC([NH3+])CC1 ZINC000841910952 613075025 /nfs/dbraw/zinc/07/50/25/613075025.db2.gz VYXVNIZJRXALRD-UHFFFAOYSA-N 2 1 266.389 0.511 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000876746859 613388130 /nfs/dbraw/zinc/38/81/30/613388130.db2.gz QGAGIGKVURIIAU-SNVBAGLBSA-N 2 1 256.737 0.778 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000876736853 613390485 /nfs/dbraw/zinc/39/04/85/613390485.db2.gz LEHUNXGJEHSVLO-ONGXEEELSA-N 2 1 257.765 0.809 20 30 CCEDMP C#CCC1([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CCOCC1 ZINC000887122419 612970713 /nfs/dbraw/zinc/97/07/13/612970713.db2.gz XKTYGQJHNUYYBV-CQSZACIVSA-N 2 1 268.401 0.850 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969960430 612996752 /nfs/dbraw/zinc/99/67/52/612996752.db2.gz ZCWXVMQBFKZFRH-VNHYZAJKSA-N 2 1 293.411 0.165 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969960430 612996753 /nfs/dbraw/zinc/99/67/53/612996753.db2.gz ZCWXVMQBFKZFRH-VNHYZAJKSA-N 2 1 293.411 0.165 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944919023 613026449 /nfs/dbraw/zinc/02/64/49/613026449.db2.gz MEDNIRPXSDMPPP-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000972860305 613032649 /nfs/dbraw/zinc/03/26/49/613032649.db2.gz PORVCVRIVVRTCF-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000972860305 613032650 /nfs/dbraw/zinc/03/26/50/613032650.db2.gz PORVCVRIVVRTCF-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972860305 613032651 /nfs/dbraw/zinc/03/26/51/613032651.db2.gz PORVCVRIVVRTCF-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972860305 613032652 /nfs/dbraw/zinc/03/26/52/613032652.db2.gz PORVCVRIVVRTCF-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000972992195 613038089 /nfs/dbraw/zinc/03/80/89/613038089.db2.gz PUCZGOOBUMHKQF-KGLIPLIRSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000823187427 613073001 /nfs/dbraw/zinc/07/30/01/613073001.db2.gz FKNCSIRMSJXLPB-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000823187427 613073002 /nfs/dbraw/zinc/07/30/02/613073002.db2.gz FKNCSIRMSJXLPB-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000823187427 613073004 /nfs/dbraw/zinc/07/30/04/613073004.db2.gz FKNCSIRMSJXLPB-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000980412766 613082324 /nfs/dbraw/zinc/08/23/24/613082324.db2.gz NQSNNYXYZCBHOT-LSDHHAIUSA-N 2 1 293.411 0.121 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000972171169 613091695 /nfs/dbraw/zinc/09/16/95/613091695.db2.gz GPTRQKJBTAJKGX-GJZGRUSLSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000972171169 613091697 /nfs/dbraw/zinc/09/16/97/613091697.db2.gz GPTRQKJBTAJKGX-GJZGRUSLSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972171169 613091698 /nfs/dbraw/zinc/09/16/98/613091698.db2.gz GPTRQKJBTAJKGX-GJZGRUSLSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972171169 613091699 /nfs/dbraw/zinc/09/16/99/613091699.db2.gz GPTRQKJBTAJKGX-GJZGRUSLSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000970928457 613117473 /nfs/dbraw/zinc/11/74/73/613117473.db2.gz LDXNTZKMZTZWCW-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000970928457 613117475 /nfs/dbraw/zinc/11/74/75/613117475.db2.gz LDXNTZKMZTZWCW-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000816954322 613129496 /nfs/dbraw/zinc/12/94/96/613129496.db2.gz ZCHPOGYJDHRKJN-GJZGRUSLSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000856485905 613195941 /nfs/dbraw/zinc/19/59/41/613195941.db2.gz SQJGRDMREMXNDD-KBPBESRZSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000856485905 613195943 /nfs/dbraw/zinc/19/59/43/613195943.db2.gz SQJGRDMREMXNDD-KBPBESRZSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC)C1 ZINC000961939261 613198163 /nfs/dbraw/zinc/19/81/63/613198163.db2.gz BMPZZSZEJJXCKA-RUXDESIVSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC)C1 ZINC000961939261 613198165 /nfs/dbraw/zinc/19/81/65/613198165.db2.gz BMPZZSZEJJXCKA-RUXDESIVSA-N 2 1 263.385 0.588 20 30 CCEDMP CNC(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)=[NH+]C ZINC000849215111 613218840 /nfs/dbraw/zinc/21/88/40/613218840.db2.gz ODQKMTOPOMNICB-AWEZNQCLSA-N 2 1 276.384 0.548 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621192 613229221 /nfs/dbraw/zinc/22/92/21/613229221.db2.gz PILJFKMVCWNETL-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621192 613229223 /nfs/dbraw/zinc/22/92/23/613229223.db2.gz PILJFKMVCWNETL-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621192 613229225 /nfs/dbraw/zinc/22/92/25/613229225.db2.gz PILJFKMVCWNETL-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970869366 613301836 /nfs/dbraw/zinc/30/18/36/613301836.db2.gz PLGZUEYFYUUFPQ-QWHCGFSZSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959921209 613315698 /nfs/dbraw/zinc/31/56/98/613315698.db2.gz MDLGFIKAPRUUMQ-KBXIAJHMSA-N 2 1 273.380 0.008 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888980749 613363899 /nfs/dbraw/zinc/36/38/99/613363899.db2.gz OHKBKEFMEBPAPS-UHFFFAOYSA-N 2 1 282.432 0.200 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000907515639 613363942 /nfs/dbraw/zinc/36/39/42/613363942.db2.gz NRBJAKWEJYUGGI-ZIAGYGMSSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000908000459 613364821 /nfs/dbraw/zinc/36/48/21/613364821.db2.gz DTGZVBZYDGMVCA-UHFFFAOYSA-N 2 1 296.459 0.637 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000876772955 613389865 /nfs/dbraw/zinc/38/98/65/613389865.db2.gz JWEIXPQFOXAYMR-ONGXEEELSA-N 2 1 259.781 0.914 20 30 CCEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923366789 613586601 /nfs/dbraw/zinc/58/66/01/613586601.db2.gz ORFGJPORFBJSFF-UONOGXRCSA-N 2 1 253.390 0.293 20 30 CCEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923346300 613591029 /nfs/dbraw/zinc/59/10/29/613591029.db2.gz QYELELZKMCSLOM-KBPBESRZSA-N 2 1 283.416 0.633 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000980408661 613613592 /nfs/dbraw/zinc/61/35/92/613613592.db2.gz MWCADPNEGJBNDR-CYBMUJFWSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000980408661 613613593 /nfs/dbraw/zinc/61/35/93/613613593.db2.gz MWCADPNEGJBNDR-CYBMUJFWSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000962279800 613837972 /nfs/dbraw/zinc/83/79/72/613837972.db2.gz KKYVTUMXTATITA-RMRHIDDWSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000962279800 613837974 /nfs/dbraw/zinc/83/79/74/613837974.db2.gz KKYVTUMXTATITA-RMRHIDDWSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000962279800 613837976 /nfs/dbraw/zinc/83/79/76/613837976.db2.gz KKYVTUMXTATITA-RMRHIDDWSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000963653770 613858590 /nfs/dbraw/zinc/85/85/90/613858590.db2.gz PQAWTAKZTAKOCP-SWAPUOLTSA-N 2 1 293.411 0.520 20 30 CCEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000963653770 613858591 /nfs/dbraw/zinc/85/85/91/613858591.db2.gz PQAWTAKZTAKOCP-SWAPUOLTSA-N 2 1 293.411 0.520 20 30 CCEDMP CCNC(NC[C@]1([NH+](C)C)CCSC1)=[NH+]CC ZINC000849004115 614420553 /nfs/dbraw/zinc/42/05/53/614420553.db2.gz YXPAHHGZRZUERP-GFCCVEGCSA-N 2 1 258.435 0.999 20 30 CCEDMP CCC[N@@H+](CC)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852870042 614569529 /nfs/dbraw/zinc/56/95/29/614569529.db2.gz OMLNFPKTXQYRTR-UHFFFAOYSA-N 2 1 265.401 0.838 20 30 CCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439709 615021924 /nfs/dbraw/zinc/02/19/24/615021924.db2.gz QWACPTSWMLYAIH-UONOGXRCSA-N 2 1 278.400 0.632 20 30 CCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439709 615021928 /nfs/dbraw/zinc/02/19/28/615021928.db2.gz QWACPTSWMLYAIH-UONOGXRCSA-N 2 1 278.400 0.632 20 30 CCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439709 615021930 /nfs/dbraw/zinc/02/19/30/615021930.db2.gz QWACPTSWMLYAIH-UONOGXRCSA-N 2 1 278.400 0.632 20 30 CCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439709 615021933 /nfs/dbraw/zinc/02/19/33/615021933.db2.gz QWACPTSWMLYAIH-UONOGXRCSA-N 2 1 278.400 0.632 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884176321 615132124 /nfs/dbraw/zinc/13/21/24/615132124.db2.gz CENYDMQELWYASJ-MYMJJRTCSA-N 2 1 290.411 0.726 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001026148943 625343840 /nfs/dbraw/zinc/34/38/40/625343840.db2.gz GRFFTFYHVVPXQC-NPCUJANDSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001026605468 625480472 /nfs/dbraw/zinc/48/04/72/625480472.db2.gz PYDVGMCENBZQLE-IYXRBSQSSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001022836950 622789374 /nfs/dbraw/zinc/78/93/74/622789374.db2.gz GZTSTCXVFXRTMH-LJISPDSOSA-N 2 1 275.396 0.873 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023749903 623128474 /nfs/dbraw/zinc/12/84/74/623128474.db2.gz CMZPFTDZKDZDAR-CABCVRRESA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023749903 623128493 /nfs/dbraw/zinc/12/84/93/623128493.db2.gz CMZPFTDZKDZDAR-CABCVRRESA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023749903 623128512 /nfs/dbraw/zinc/12/85/12/623128512.db2.gz CMZPFTDZKDZDAR-CABCVRRESA-N 2 1 277.412 0.790 20 30 CCEDMP C[C@@H](CNC(=[NH2+])N1CCSCC1)C[NH+]1CCOCC1 ZINC000304752141 624488478 /nfs/dbraw/zinc/48/84/78/624488478.db2.gz JWWBDMYHBPLMBF-LBPRGKRZSA-N 2 1 286.445 0.318 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000304762898 624490346 /nfs/dbraw/zinc/49/03/46/624490346.db2.gz WDWQHPYHAPTELU-VXGBXAGGSA-N 2 1 256.394 0.800 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCOC1 ZINC000261968228 624929922 /nfs/dbraw/zinc/92/99/22/624929922.db2.gz CFNYOHVCMNHHEL-NWDGAFQWSA-N 2 1 254.378 0.412 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027556196 630750298 /nfs/dbraw/zinc/75/02/98/630750298.db2.gz ZEHXOXKTWQRSMI-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CCOC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261621208 631393030 /nfs/dbraw/zinc/39/30/30/631393030.db2.gz AFNFRRRQGOOBQQ-STQMWFEESA-N 2 1 280.416 0.815 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CCOC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000261621208 631393040 /nfs/dbraw/zinc/39/30/40/631393040.db2.gz AFNFRRRQGOOBQQ-STQMWFEESA-N 2 1 280.416 0.815 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CCOC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261621205 631393149 /nfs/dbraw/zinc/39/31/49/631393149.db2.gz AFNFRRRQGOOBQQ-QWHCGFSZSA-N 2 1 280.416 0.815 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CCOC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261621205 631393158 /nfs/dbraw/zinc/39/31/58/631393158.db2.gz AFNFRRRQGOOBQQ-QWHCGFSZSA-N 2 1 280.416 0.815 20 30 CCEDMP [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261874136 631665404 /nfs/dbraw/zinc/66/54/04/631665404.db2.gz PNTPMVMUEBDPGJ-WCQYABFASA-N 2 1 266.389 0.554 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001007004704 650062055 /nfs/dbraw/zinc/06/20/55/650062055.db2.gz WLASMSDTTHHWBP-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001007004704 650062057 /nfs/dbraw/zinc/06/20/57/650062057.db2.gz WLASMSDTTHHWBP-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007004704 650062058 /nfs/dbraw/zinc/06/20/58/650062058.db2.gz WLASMSDTTHHWBP-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007004704 650062061 /nfs/dbraw/zinc/06/20/61/650062061.db2.gz WLASMSDTTHHWBP-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007377582 650075981 /nfs/dbraw/zinc/07/59/81/650075981.db2.gz WRFMKGMUZNLNMP-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007377582 650075983 /nfs/dbraw/zinc/07/59/83/650075983.db2.gz WRFMKGMUZNLNMP-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007377582 650075984 /nfs/dbraw/zinc/07/59/84/650075984.db2.gz WRFMKGMUZNLNMP-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007377582 650075986 /nfs/dbraw/zinc/07/59/86/650075986.db2.gz WRFMKGMUZNLNMP-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC000986353701 632745349 /nfs/dbraw/zinc/74/53/49/632745349.db2.gz JDPQZMZHVSISNX-JSGCOSHPSA-N 2 1 263.385 0.683 20 30 CCEDMP CN1CCC[NH+]=C1NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000263197498 632838347 /nfs/dbraw/zinc/83/83/47/632838347.db2.gz WQNACSHPEGBJCK-UHFFFAOYSA-N 2 1 267.421 0.294 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)CCc2cncn2C)CC1 ZINC000989586136 633332836 /nfs/dbraw/zinc/33/28/36/633332836.db2.gz IGENVLJCRPLSIL-UHFFFAOYSA-N 2 1 274.368 0.520 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC000989707684 633347761 /nfs/dbraw/zinc/34/77/61/633347761.db2.gz HFXVLZNKCALQMR-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000989707684 633347766 /nfs/dbraw/zinc/34/77/66/633347766.db2.gz HFXVLZNKCALQMR-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000989707684 633347770 /nfs/dbraw/zinc/34/77/70/633347770.db2.gz HFXVLZNKCALQMR-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000989707684 633347775 /nfs/dbraw/zinc/34/77/75/633347775.db2.gz HFXVLZNKCALQMR-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009510974 650146026 /nfs/dbraw/zinc/14/60/26/650146026.db2.gz UWYZICFOUZDZMA-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009510974 650146028 /nfs/dbraw/zinc/14/60/28/650146028.db2.gz UWYZICFOUZDZMA-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001009510974 650146030 /nfs/dbraw/zinc/14/60/30/650146030.db2.gz UWYZICFOUZDZMA-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009510974 650146031 /nfs/dbraw/zinc/14/60/31/650146031.db2.gz UWYZICFOUZDZMA-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010369895 650207812 /nfs/dbraw/zinc/20/78/12/650207812.db2.gz PPVAWGNGXDORQO-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010369895 650207815 /nfs/dbraw/zinc/20/78/15/650207815.db2.gz PPVAWGNGXDORQO-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010369895 650207816 /nfs/dbraw/zinc/20/78/16/650207816.db2.gz PPVAWGNGXDORQO-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC#CC[NH+](C)C ZINC000913518770 636835106 /nfs/dbraw/zinc/83/51/06/636835106.db2.gz AFZXGDLQUGELMO-BETUJISGSA-N 2 1 251.374 0.540 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCCOC1 ZINC000170908606 637104317 /nfs/dbraw/zinc/10/43/17/637104317.db2.gz KJNSGDGELGDAJD-CYBMUJFWSA-N 2 1 284.404 0.040 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000996617548 638824776 /nfs/dbraw/zinc/82/47/76/638824776.db2.gz BQTKWSFQLDUULG-HUUCEWRRSA-N 2 1 291.395 0.063 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000996620443 638824796 /nfs/dbraw/zinc/82/47/96/638824796.db2.gz NROBYNGTOIUICZ-CABCVRRESA-N 2 1 293.411 0.616 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000996666956 638827433 /nfs/dbraw/zinc/82/74/33/638827433.db2.gz VBMQFGNEAOXRBA-UHFFFAOYSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC000996687503 638828431 /nfs/dbraw/zinc/82/84/31/638828431.db2.gz XFVFJGHUKFVWRK-HNNXBMFYSA-N 2 1 273.380 0.298 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC000996687503 638828433 /nfs/dbraw/zinc/82/84/33/638828433.db2.gz XFVFJGHUKFVWRK-HNNXBMFYSA-N 2 1 273.380 0.298 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998725078 638936323 /nfs/dbraw/zinc/93/63/23/638936323.db2.gz VKTWZLOSNZKCED-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC=C)C1 ZINC000998923030 638949548 /nfs/dbraw/zinc/94/95/48/638949548.db2.gz MMFRFZBVMZPUFS-NRXISQOPSA-N 2 1 275.396 0.849 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC=C)C1 ZINC000998923030 638949550 /nfs/dbraw/zinc/94/95/50/638949550.db2.gz MMFRFZBVMZPUFS-NRXISQOPSA-N 2 1 275.396 0.849 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000999760193 638994181 /nfs/dbraw/zinc/99/41/81/638994181.db2.gz PTCURWJEIYRGHY-XUJLQICISA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000999712297 638994207 /nfs/dbraw/zinc/99/42/07/638994207.db2.gz HVCFGOYLXSPCOY-ZDUSSCGKSA-N 2 1 260.341 0.405 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001000851991 639182029 /nfs/dbraw/zinc/18/20/29/639182029.db2.gz PPSGLBMFGUORRO-OAHLLOKOSA-N 2 1 275.396 0.852 20 30 CCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001001447913 639304694 /nfs/dbraw/zinc/30/46/94/639304694.db2.gz DVUPDEXQDBDBJX-HNNXBMFYSA-N 2 1 275.396 0.710 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001001447913 639304701 /nfs/dbraw/zinc/30/47/01/639304701.db2.gz DVUPDEXQDBDBJX-HNNXBMFYSA-N 2 1 275.396 0.710 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001001447913 639304712 /nfs/dbraw/zinc/30/47/12/639304712.db2.gz DVUPDEXQDBDBJX-HNNXBMFYSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001001447793 639306074 /nfs/dbraw/zinc/30/60/74/639306074.db2.gz CUYZKUKLGPJZIV-HNNXBMFYSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001001447793 639306080 /nfs/dbraw/zinc/30/60/80/639306080.db2.gz CUYZKUKLGPJZIV-HNNXBMFYSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001001447793 639306085 /nfs/dbraw/zinc/30/60/85/639306085.db2.gz CUYZKUKLGPJZIV-HNNXBMFYSA-N 2 1 275.396 0.710 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001004177855 639712197 /nfs/dbraw/zinc/71/21/97/639712197.db2.gz DESCNEKLXAHTHZ-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004177855 639712217 /nfs/dbraw/zinc/71/22/17/639712217.db2.gz DESCNEKLXAHTHZ-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCF)CC2)CC1 ZINC001004201353 639715941 /nfs/dbraw/zinc/71/59/41/639715941.db2.gz NONBZMQRPVNAEC-UHFFFAOYSA-N 2 1 295.402 0.882 20 30 CCEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923478670 640159157 /nfs/dbraw/zinc/15/91/57/640159157.db2.gz FZWZREAQJXBWFT-LSDHHAIUSA-N 2 1 289.379 0.969 20 30 CCEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000834490372 642581171 /nfs/dbraw/zinc/58/11/71/642581171.db2.gz UTARMCWSUNVDDL-BZUAXINKSA-N 2 1 298.390 0.879 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001017943961 650836075 /nfs/dbraw/zinc/83/60/75/650836075.db2.gz JGHLMKTWOJGAHD-CAOSSQGBSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001017943961 650836079 /nfs/dbraw/zinc/83/60/79/650836079.db2.gz JGHLMKTWOJGAHD-CAOSSQGBSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001017943961 650836080 /nfs/dbraw/zinc/83/60/80/650836080.db2.gz JGHLMKTWOJGAHD-CAOSSQGBSA-N 2 1 289.423 0.883 20 30 CCEDMP N#Cc1cccnc1NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863552264 645107120 /nfs/dbraw/zinc/10/71/20/645107120.db2.gz WUABHDIQPSPRHJ-CQSZACIVSA-N 2 1 289.383 0.411 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001019820348 651007424 /nfs/dbraw/zinc/00/74/24/651007424.db2.gz HAWLTDLURYCSHG-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001020288703 651056139 /nfs/dbraw/zinc/05/61/39/651056139.db2.gz HLIXXNIZMDQJIW-ZQDZILKHSA-N 2 1 275.396 0.873 20 30 CCEDMP [NH2+]=C(NCCc1ccccc1)NCC[N@@H+]1CCCOCC1 ZINC000187856028 649336827 /nfs/dbraw/zinc/33/68/27/649336827.db2.gz PRLAUUCYENHDCH-UHFFFAOYSA-N 2 1 290.411 0.856 20 30 CCEDMP [NH2+]=C(NCCc1ccccc1)NCC[N@H+]1CCCOCC1 ZINC000187856028 649336830 /nfs/dbraw/zinc/33/68/30/649336830.db2.gz PRLAUUCYENHDCH-UHFFFAOYSA-N 2 1 290.411 0.856 20 30 CCEDMP CNC(=[NH2+])NCc1cccc(OCC[N@@H+](C)CCOC)c1 ZINC000303391831 649818192 /nfs/dbraw/zinc/81/81/92/649818192.db2.gz FEHPIAVLFKAKJQ-UHFFFAOYSA-N 2 1 294.399 0.678 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000303897846 649826637 /nfs/dbraw/zinc/82/66/37/649826637.db2.gz VEYPPLIPBWNJOE-AWEZNQCLSA-N 2 1 281.448 0.740 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[NH+](C)C1CC1 ZINC000303979487 649827530 /nfs/dbraw/zinc/82/75/30/649827530.db2.gz NGSIDLFFJVKVTF-TZMCWYRMSA-N 3 1 281.448 0.858 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000303979487 649827532 /nfs/dbraw/zinc/82/75/32/649827532.db2.gz NGSIDLFFJVKVTF-TZMCWYRMSA-N 3 1 281.448 0.858 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000303979487 649827533 /nfs/dbraw/zinc/82/75/33/649827533.db2.gz NGSIDLFFJVKVTF-TZMCWYRMSA-N 3 1 281.448 0.858 20 30 CCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)N(C)C1CC1 ZINC000303979487 649827535 /nfs/dbraw/zinc/82/75/35/649827535.db2.gz NGSIDLFFJVKVTF-TZMCWYRMSA-N 2 1 281.448 0.858 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)N(C)C1CC1 ZINC000303979487 649827536 /nfs/dbraw/zinc/82/75/36/649827536.db2.gz NGSIDLFFJVKVTF-TZMCWYRMSA-N 2 1 281.448 0.858 20 30 CCEDMP C[C@H](CNC(=[NH2+])NC(C)(C)C)C[NH+]1CCOCC1 ZINC000304762259 649838733 /nfs/dbraw/zinc/83/87/33/649838733.db2.gz VLCUUGLVIDGLPQ-LLVKDONJSA-N 2 1 256.394 0.658 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266352849 790570228 /nfs/dbraw/zinc/57/02/28/790570228.db2.gz JFDVEVIGSPFVKB-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266352849 790570236 /nfs/dbraw/zinc/57/02/36/790570236.db2.gz JFDVEVIGSPFVKB-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266352849 790570246 /nfs/dbraw/zinc/57/02/46/790570246.db2.gz JFDVEVIGSPFVKB-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266538223 790898076 /nfs/dbraw/zinc/89/80/76/790898076.db2.gz CTJDNBXEJXNBAG-AWEZNQCLSA-N 2 1 290.367 0.032 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266548583 790910520 /nfs/dbraw/zinc/91/05/20/790910520.db2.gz CREWZCJCPJUAOI-GJZGRUSLSA-N 2 1 295.427 0.579 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266548583 790910529 /nfs/dbraw/zinc/91/05/29/790910529.db2.gz CREWZCJCPJUAOI-GJZGRUSLSA-N 2 1 295.427 0.579 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266548583 790910538 /nfs/dbraw/zinc/91/05/38/790910538.db2.gz CREWZCJCPJUAOI-GJZGRUSLSA-N 2 1 295.427 0.579 20 30 CCEDMP C#CC[N@@H+](CCC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266571516 790943301 /nfs/dbraw/zinc/94/33/01/790943301.db2.gz WPPXSXDPRQAOGC-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266571516 790943311 /nfs/dbraw/zinc/94/33/11/790943311.db2.gz WPPXSXDPRQAOGC-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266571516 790943316 /nfs/dbraw/zinc/94/33/16/790943316.db2.gz WPPXSXDPRQAOGC-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231367740 805784823 /nfs/dbraw/zinc/78/48/23/805784823.db2.gz DMFXUJAITWUFLN-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231367740 805784832 /nfs/dbraw/zinc/78/48/32/805784832.db2.gz DMFXUJAITWUFLN-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001231367740 805784837 /nfs/dbraw/zinc/78/48/37/805784837.db2.gz DMFXUJAITWUFLN-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001231367740 805784844 /nfs/dbraw/zinc/78/48/44/805784844.db2.gz DMFXUJAITWUFLN-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP Cn1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1C#N ZINC001234980523 806323094 /nfs/dbraw/zinc/32/30/94/806323094.db2.gz GZMORYWEMULPBW-AWEZNQCLSA-N 2 1 259.357 0.034 20 30 CCEDMP N#Cc1cncc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234988567 806333846 /nfs/dbraw/zinc/33/38/46/806333846.db2.gz MVGWJVVDDZTEDD-CQSZACIVSA-N 2 1 257.341 0.091 20 30 CCEDMP COc1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)ccc1C#N ZINC001234989631 806335469 /nfs/dbraw/zinc/33/54/69/806335469.db2.gz AWXKQBRVRZAAMI-MRXNPFEDSA-N 2 1 286.379 0.704 20 30 CCEDMP N#Cc1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)ccn1 ZINC001234990996 806338040 /nfs/dbraw/zinc/33/80/40/806338040.db2.gz OUUILMPNYNBAJI-CQSZACIVSA-N 2 1 257.341 0.091 20 30 CCEDMP C=CCN1CC[N@@H+](C)C2(CCN(C[C@@H](C)[NH3+])CC2)C1=O ZINC001235591727 806466943 /nfs/dbraw/zinc/46/69/43/806466943.db2.gz BKCJZMXJPDYGBS-CYBMUJFWSA-N 2 1 280.416 0.128 20 30 CCEDMP C=CCN1CC[N@H+](C)C2(CCN(C[C@@H](C)[NH3+])CC2)C1=O ZINC001235591727 806466950 /nfs/dbraw/zinc/46/69/50/806466950.db2.gz BKCJZMXJPDYGBS-CYBMUJFWSA-N 2 1 280.416 0.128 20 30 CCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001278105841 806674876 /nfs/dbraw/zinc/67/48/76/806674876.db2.gz PTNHBHXLPABFMU-STQMWFEESA-N 2 1 269.389 0.114 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC001121928368 799097612 /nfs/dbraw/zinc/09/76/12/799097612.db2.gz NXMPVWFOMTWEMK-CABCVRRESA-N 2 1 296.459 0.670 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001122069928 799135091 /nfs/dbraw/zinc/13/50/91/799135091.db2.gz QGGGCUWAFJLRGI-CYBMUJFWSA-N 2 1 251.374 0.446 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480286 800337880 /nfs/dbraw/zinc/33/78/80/800337880.db2.gz JZPNWTBDBFWETF-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150620057 800353715 /nfs/dbraw/zinc/35/37/15/800353715.db2.gz JTSBZPOCFUTHQP-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150620057 800353722 /nfs/dbraw/zinc/35/37/22/800353722.db2.gz JTSBZPOCFUTHQP-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150620057 800353732 /nfs/dbraw/zinc/35/37/32/800353732.db2.gz JTSBZPOCFUTHQP-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150620057 800353740 /nfs/dbraw/zinc/35/37/40/800353740.db2.gz JTSBZPOCFUTHQP-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150772396 800366454 /nfs/dbraw/zinc/36/64/54/800366454.db2.gz SAUVYKGGMGZZAP-AWEZNQCLSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150772396 800366460 /nfs/dbraw/zinc/36/64/60/800366460.db2.gz SAUVYKGGMGZZAP-AWEZNQCLSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150772396 800366466 /nfs/dbraw/zinc/36/64/66/800366466.db2.gz SAUVYKGGMGZZAP-AWEZNQCLSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997865 800701056 /nfs/dbraw/zinc/70/10/56/800701056.db2.gz AIEBREHQEFGYNC-RBSFLKMASA-N 2 1 295.427 0.555 20 30 CCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997865 800701058 /nfs/dbraw/zinc/70/10/58/800701058.db2.gz AIEBREHQEFGYNC-RBSFLKMASA-N 2 1 295.427 0.555 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153997865 800701061 /nfs/dbraw/zinc/70/10/61/800701061.db2.gz AIEBREHQEFGYNC-RBSFLKMASA-N 2 1 295.427 0.555 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153997865 800701062 /nfs/dbraw/zinc/70/10/62/800701062.db2.gz AIEBREHQEFGYNC-RBSFLKMASA-N 2 1 295.427 0.555 20 30 CCEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890284 801254791 /nfs/dbraw/zinc/25/47/91/801254791.db2.gz LCKQXSSATCKTDQ-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890284 801254794 /nfs/dbraw/zinc/25/47/94/801254794.db2.gz LCKQXSSATCKTDQ-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890284 801254799 /nfs/dbraw/zinc/25/47/99/801254799.db2.gz LCKQXSSATCKTDQ-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157886193 801510629 /nfs/dbraw/zinc/51/06/29/801510629.db2.gz BNVKLUWTRLCBMB-ZDUSSCGKSA-N 2 1 251.374 0.588 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158036294 801557566 /nfs/dbraw/zinc/55/75/66/801557566.db2.gz BOEXDFIBAIIDLU-GJZGRUSLSA-N 2 1 277.412 0.980 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159882548 801885151 /nfs/dbraw/zinc/88/51/51/801885151.db2.gz DGHLHVHZPDBFOO-AWEZNQCLSA-N 2 1 293.415 0.485 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001159926074 801890388 /nfs/dbraw/zinc/89/03/88/801890388.db2.gz ZULFTOWGCKQMMZ-LBPRGKRZSA-N 2 1 260.341 0.490 20 30 CCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001278855792 808339403 /nfs/dbraw/zinc/33/94/03/808339403.db2.gz VJCOELQFRCJESM-RBSFLKMASA-N 2 1 295.427 0.101 20 30 CCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001278855792 808339410 /nfs/dbraw/zinc/33/94/10/808339410.db2.gz VJCOELQFRCJESM-RBSFLKMASA-N 2 1 295.427 0.101 20 30 CCEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001278855792 808339416 /nfs/dbraw/zinc/33/94/16/808339416.db2.gz VJCOELQFRCJESM-RBSFLKMASA-N 2 1 295.427 0.101 20 30 CCEDMP CC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265024569 809695437 /nfs/dbraw/zinc/69/54/37/809695437.db2.gz NHAKARRECPUKSD-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001265024569 809695441 /nfs/dbraw/zinc/69/54/41/809695441.db2.gz NHAKARRECPUKSD-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001265024569 809695445 /nfs/dbraw/zinc/69/54/45/809695445.db2.gz NHAKARRECPUKSD-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164578029 802768307 /nfs/dbraw/zinc/76/83/07/802768307.db2.gz ZLJNIJDQMUBGCR-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001165764090 802863516 /nfs/dbraw/zinc/86/35/16/802863516.db2.gz LSGABIOIJSRYQG-AWEZNQCLSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204876452 803107903 /nfs/dbraw/zinc/10/79/03/803107903.db2.gz WWBNHLHMNBMMRD-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876452 803107906 /nfs/dbraw/zinc/10/79/06/803107906.db2.gz WWBNHLHMNBMMRD-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCF)CC1 ZINC001205479199 803143341 /nfs/dbraw/zinc/14/33/41/803143341.db2.gz CUKSZDZJTJQABH-HNNXBMFYSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCF)CC1 ZINC001205479199 803143344 /nfs/dbraw/zinc/14/33/44/803143344.db2.gz CUKSZDZJTJQABH-HNNXBMFYSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001206940258 803313999 /nfs/dbraw/zinc/31/39/99/803313999.db2.gz MXIQQPPXMHRVFD-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206940258 803314004 /nfs/dbraw/zinc/31/40/04/803314004.db2.gz MXIQQPPXMHRVFD-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209837344 803632362 /nfs/dbraw/zinc/63/23/62/803632362.db2.gz WONZJJMDEXOQQV-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298652 803646596 /nfs/dbraw/zinc/64/65/96/803646596.db2.gz QKXARPSYLDYQTN-ZIAGYGMSSA-N 2 1 283.416 0.577 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001210811034 803660944 /nfs/dbraw/zinc/66/09/44/803660944.db2.gz IPNLQGAWBVEEKG-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213764871 803703185 /nfs/dbraw/zinc/70/31/85/803703185.db2.gz INQZUDLFYLNONE-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213764871 803703187 /nfs/dbraw/zinc/70/31/87/803703187.db2.gz INQZUDLFYLNONE-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213764871 803703190 /nfs/dbraw/zinc/70/31/90/803703190.db2.gz INQZUDLFYLNONE-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213764871 803703193 /nfs/dbraw/zinc/70/31/93/803703193.db2.gz INQZUDLFYLNONE-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000402125691 803812667 /nfs/dbraw/zinc/81/26/67/803812667.db2.gz CNSNTVKDEZZRHD-GXTWGEPZSA-N 2 1 275.352 0.579 20 30 CCEDMP C[NH2+]CCC[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000402201079 803816594 /nfs/dbraw/zinc/81/65/94/803816594.db2.gz IPMAEALYPPZHDT-CQSZACIVSA-N 2 1 277.368 0.839 20 30 CCEDMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000402201079 803816603 /nfs/dbraw/zinc/81/66/03/803816603.db2.gz IPMAEALYPPZHDT-CQSZACIVSA-N 2 1 277.368 0.839 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001216498889 803840030 /nfs/dbraw/zinc/84/00/30/803840030.db2.gz AISVPOOIFMQDLU-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216750076 803853598 /nfs/dbraw/zinc/85/35/98/803853598.db2.gz NVDBAVSWLSXBMO-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP CCc1nc2c(c(O[C@H]3CNC[C@H]3C#N)n1)CNC2 ZINC001218203347 803935596 /nfs/dbraw/zinc/93/55/96/803935596.db2.gz QDXHHAUVFIJDKW-KCJUWKMLSA-N 2 1 259.313 0.133 20 30 CCEDMP CCc1nc2c(c(O[C@@H]3CNC[C@@H]3C#N)n1)CNC2 ZINC001218203343 803936447 /nfs/dbraw/zinc/93/64/47/803936447.db2.gz QDXHHAUVFIJDKW-GZMMTYOYSA-N 2 1 259.313 0.133 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220989244 804714037 /nfs/dbraw/zinc/71/40/37/804714037.db2.gz REOXDNDIEYCJCE-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220989244 804714038 /nfs/dbraw/zinc/71/40/38/804714038.db2.gz REOXDNDIEYCJCE-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001276946661 805009365 /nfs/dbraw/zinc/00/93/65/805009365.db2.gz ARTUTLHINSZKSH-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001276946661 805009370 /nfs/dbraw/zinc/00/93/70/805009370.db2.gz ARTUTLHINSZKSH-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001276946661 805009381 /nfs/dbraw/zinc/00/93/81/805009381.db2.gz ARTUTLHINSZKSH-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOCC)CC1 ZINC001277079179 805171359 /nfs/dbraw/zinc/17/13/59/805171359.db2.gz AXUAZZUGBLBXLW-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOCC)CC1 ZINC001277079179 805171361 /nfs/dbraw/zinc/17/13/61/805171361.db2.gz AXUAZZUGBLBXLW-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141613 805507255 /nfs/dbraw/zinc/50/72/55/805507255.db2.gz FWJCESOJXMIYCC-HUUCEWRRSA-N 2 1 293.411 0.359 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052854 807134455 /nfs/dbraw/zinc/13/44/55/807134455.db2.gz PGBSXRNTHOJLGH-MJBXVCDLSA-N 2 1 254.374 0.481 20 30 CCEDMP C[C@@H]1CC[N@H+]([C@H]2CCN[C@H](C#N)C2)CC[C@@H]1C[NH3+] ZINC001246558633 807288794 /nfs/dbraw/zinc/28/87/94/807288794.db2.gz NOKGMNSBYCRBPL-MQYQWHSLSA-N 2 1 250.390 0.937 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=S)NCC[NH+](C)C ZINC001249849333 807577623 /nfs/dbraw/zinc/57/76/23/807577623.db2.gz GRYKVEVCRLRWHY-LBPRGKRZSA-N 2 1 270.446 0.663 20 30 CCEDMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278582633 807605528 /nfs/dbraw/zinc/60/55/28/807605528.db2.gz NJSGOHDOORWPQI-ZBFHGGJFSA-N 2 1 277.412 0.790 20 30 CCEDMP C=C[C@H](O)C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001253577201 808086454 /nfs/dbraw/zinc/08/64/54/808086454.db2.gz KKNQWCUOPBPLBX-HNNXBMFYSA-N 2 1 290.411 0.884 20 30 CCEDMP C=C[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001253577850 808086573 /nfs/dbraw/zinc/08/65/73/808086573.db2.gz QFEIDGKLFBOMGY-ZDUSSCGKSA-N 2 1 292.383 0.058 20 30 CCEDMP C=C[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001253577850 808086580 /nfs/dbraw/zinc/08/65/80/808086580.db2.gz QFEIDGKLFBOMGY-ZDUSSCGKSA-N 2 1 292.383 0.058 20 30 CCEDMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001261458535 808980847 /nfs/dbraw/zinc/98/08/47/808980847.db2.gz BUESEZPPYZDJCZ-QWHCGFSZSA-N 2 1 266.389 0.808 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076206482 815260163 /nfs/dbraw/zinc/26/01/63/815260163.db2.gz QJGAEGKXVNKXHT-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP C[N@H+]1CCCC[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC001263274637 809501856 /nfs/dbraw/zinc/50/18/56/809501856.db2.gz HWQVRISANJDLEO-AWEZNQCLSA-N 2 1 263.385 0.590 20 30 CCEDMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C#CC3CC[NH2+]CC3)[C@H]2C1 ZINC001263318696 809509335 /nfs/dbraw/zinc/50/93/35/809509335.db2.gz RTKIKOVROYCUNR-KKUMJFAQSA-N 2 1 275.396 0.446 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001266160287 809951832 /nfs/dbraw/zinc/95/18/32/809951832.db2.gz DFHKMXXQXYYWBU-LBPRGKRZSA-N 2 1 262.357 0.699 20 30 CCEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001266174654 809955419 /nfs/dbraw/zinc/95/54/19/809955419.db2.gz PKKNKNNBPBVMBH-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001266174654 809955426 /nfs/dbraw/zinc/95/54/26/809955426.db2.gz PKKNKNNBPBVMBH-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266174654 809955434 /nfs/dbraw/zinc/95/54/34/809955434.db2.gz PKKNKNNBPBVMBH-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001280422082 810019179 /nfs/dbraw/zinc/01/91/79/810019179.db2.gz VGSZSGHPXHBUCG-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001280422082 810019182 /nfs/dbraw/zinc/01/91/82/810019182.db2.gz VGSZSGHPXHBUCG-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001280422082 810019185 /nfs/dbraw/zinc/01/91/85/810019185.db2.gz VGSZSGHPXHBUCG-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001280422082 810019188 /nfs/dbraw/zinc/01/91/88/810019188.db2.gz VGSZSGHPXHBUCG-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077003138 815431412 /nfs/dbraw/zinc/43/14/12/815431412.db2.gz URYMCVJZNZWUSI-RRFJBIMHSA-N 2 1 293.411 0.066 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCC1 ZINC001267386323 811268559 /nfs/dbraw/zinc/26/85/59/811268559.db2.gz DCQBLVIDWLSJQN-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCC1 ZINC001267386323 811268562 /nfs/dbraw/zinc/26/85/62/811268562.db2.gz DCQBLVIDWLSJQN-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCN1CC[NH+](CCN(C)C(=O)CCC[NH+](C)C)CC1 ZINC001267574553 811467464 /nfs/dbraw/zinc/46/74/64/811467464.db2.gz LJGJRRKJIJYPPO-UHFFFAOYSA-N 2 1 294.443 0.037 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267734509 811703805 /nfs/dbraw/zinc/70/38/05/811703805.db2.gz LPZPXIYAEUFHCE-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CC1 ZINC001038369940 811839524 /nfs/dbraw/zinc/83/95/24/811839524.db2.gz YBHZSUJWJGYNEK-CABCVRRESA-N 2 1 275.396 0.685 20 30 CCEDMP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001268028638 812015623 /nfs/dbraw/zinc/01/56/23/812015623.db2.gz KSLMYMFORHUMKC-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001268028638 812015629 /nfs/dbraw/zinc/01/56/29/812015629.db2.gz KSLMYMFORHUMKC-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001268028638 812015636 /nfs/dbraw/zinc/01/56/36/812015636.db2.gz KSLMYMFORHUMKC-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447764 812711392 /nfs/dbraw/zinc/71/13/92/812711392.db2.gz TUNFRFHGSKKOLE-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447764 812711398 /nfs/dbraw/zinc/71/13/98/812711398.db2.gz TUNFRFHGSKKOLE-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028461021 812729590 /nfs/dbraw/zinc/72/95/90/812729590.db2.gz HZKVTGBRHAWERB-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028461021 812729596 /nfs/dbraw/zinc/72/95/96/812729596.db2.gz HZKVTGBRHAWERB-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461021 812729603 /nfs/dbraw/zinc/72/96/03/812729603.db2.gz HZKVTGBRHAWERB-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461021 812729607 /nfs/dbraw/zinc/72/96/07/812729607.db2.gz HZKVTGBRHAWERB-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001268755993 813067278 /nfs/dbraw/zinc/06/72/78/813067278.db2.gz GQLJNFIQFNMDMY-KGLIPLIRSA-N 2 1 283.416 0.577 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028636228 813072234 /nfs/dbraw/zinc/07/22/34/813072234.db2.gz MKZUEFQGFFZZAX-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001028636228 813072242 /nfs/dbraw/zinc/07/22/42/813072242.db2.gz MKZUEFQGFFZZAX-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028636228 813072249 /nfs/dbraw/zinc/07/22/49/813072249.db2.gz MKZUEFQGFFZZAX-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028780932 813497333 /nfs/dbraw/zinc/49/73/33/813497333.db2.gz OKIIDHCSGTXVML-AWEZNQCLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1CC ZINC001087519230 814050631 /nfs/dbraw/zinc/05/06/31/814050631.db2.gz GJEVVMNZDPIEJS-BFHYXJOUSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1CC ZINC001087519230 814050638 /nfs/dbraw/zinc/05/06/38/814050638.db2.gz GJEVVMNZDPIEJS-BFHYXJOUSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1CC ZINC001087519230 814050645 /nfs/dbraw/zinc/05/06/45/814050645.db2.gz GJEVVMNZDPIEJS-BFHYXJOUSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1CC ZINC001087519230 814050653 /nfs/dbraw/zinc/05/06/53/814050653.db2.gz GJEVVMNZDPIEJS-BFHYXJOUSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573764 814169242 /nfs/dbraw/zinc/16/92/42/814169242.db2.gz DABBLOQHGLOYPX-HRCADAONSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168022391 814206676 /nfs/dbraw/zinc/20/66/76/814206676.db2.gz ODYPAAQHTFFVCD-UONOGXRCSA-N 2 1 263.385 0.732 20 30 CCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168135693 814716567 /nfs/dbraw/zinc/71/65/67/814716567.db2.gz BTKSZTHZDDDZEM-AWEZNQCLSA-N 2 1 277.412 0.838 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105945462 816019489 /nfs/dbraw/zinc/01/94/89/816019489.db2.gz YGWWCPQGTSAXTN-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974241 816031229 /nfs/dbraw/zinc/03/12/29/816031229.db2.gz SDEDBHOZXLXTCX-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974241 816031237 /nfs/dbraw/zinc/03/12/37/816031237.db2.gz SDEDBHOZXLXTCX-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001089037439 816220227 /nfs/dbraw/zinc/22/02/27/816220227.db2.gz DRUDHEMPESXPGQ-UPJWGTAASA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001089037439 816220233 /nfs/dbraw/zinc/22/02/33/816220233.db2.gz DRUDHEMPESXPGQ-UPJWGTAASA-N 2 1 251.374 0.703 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCF)[C@@H]2C)CC1 ZINC001089059422 816228333 /nfs/dbraw/zinc/22/83/33/816228333.db2.gz LMIJHSHAHJTSQC-HIFRSBDPSA-N 2 1 295.402 0.880 20 30 CCEDMP C#CCCN1CC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001030825831 816321327 /nfs/dbraw/zinc/32/13/27/816321327.db2.gz QCOXCKPIONSOEM-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046855539 816939065 /nfs/dbraw/zinc/93/90/65/816939065.db2.gz UHRKAOCYSAEDIQ-HIFRSBDPSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046855539 816939072 /nfs/dbraw/zinc/93/90/72/816939072.db2.gz UHRKAOCYSAEDIQ-HIFRSBDPSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046855539 816939079 /nfs/dbraw/zinc/93/90/79/816939079.db2.gz UHRKAOCYSAEDIQ-HIFRSBDPSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046855539 816939085 /nfs/dbraw/zinc/93/90/85/816939085.db2.gz UHRKAOCYSAEDIQ-HIFRSBDPSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778345 817573748 /nfs/dbraw/zinc/57/37/48/817573748.db2.gz JIZISWZBRYLDLY-MJBXVCDLSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778345 817573757 /nfs/dbraw/zinc/57/37/57/817573757.db2.gz JIZISWZBRYLDLY-MJBXVCDLSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778345 817573763 /nfs/dbraw/zinc/57/37/63/817573763.db2.gz JIZISWZBRYLDLY-MJBXVCDLSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778345 817573774 /nfs/dbraw/zinc/57/37/74/817573774.db2.gz JIZISWZBRYLDLY-MJBXVCDLSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186002 817682869 /nfs/dbraw/zinc/68/28/69/817682869.db2.gz FPCADASXGZPSOZ-AWEZNQCLSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032981813 818404367 /nfs/dbraw/zinc/40/43/67/818404367.db2.gz UHYKADQRJMNAOS-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032981813 818404370 /nfs/dbraw/zinc/40/43/70/818404370.db2.gz UHYKADQRJMNAOS-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032981813 818404374 /nfs/dbraw/zinc/40/43/74/818404374.db2.gz UHYKADQRJMNAOS-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032981813 818404380 /nfs/dbraw/zinc/40/43/80/818404380.db2.gz UHYKADQRJMNAOS-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC#C)C1 ZINC001033154290 818580731 /nfs/dbraw/zinc/58/07/31/818580731.db2.gz OJUVNUSFMOUYRE-GJZGRUSLSA-N 2 1 273.380 0.250 20 30 CCEDMP C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCN2CC#C)C1 ZINC001033154290 818580736 /nfs/dbraw/zinc/58/07/36/818580736.db2.gz OJUVNUSFMOUYRE-GJZGRUSLSA-N 2 1 273.380 0.250 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033660509 818882445 /nfs/dbraw/zinc/88/24/45/818882445.db2.gz HXDFBENPZRDQIX-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033660509 818882448 /nfs/dbraw/zinc/88/24/48/818882448.db2.gz HXDFBENPZRDQIX-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033660509 818882454 /nfs/dbraw/zinc/88/24/54/818882454.db2.gz HXDFBENPZRDQIX-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034524515 819228258 /nfs/dbraw/zinc/22/82/58/819228258.db2.gz HCMJWFRTHMJSBG-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034524515 819228266 /nfs/dbraw/zinc/22/82/66/819228266.db2.gz HCMJWFRTHMJSBG-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034524515 819228271 /nfs/dbraw/zinc/22/82/71/819228271.db2.gz HCMJWFRTHMJSBG-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035503159 819543140 /nfs/dbraw/zinc/54/31/40/819543140.db2.gz SUQINYZCHLMZLE-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035503159 819543143 /nfs/dbraw/zinc/54/31/43/819543143.db2.gz SUQINYZCHLMZLE-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081675998 820815614 /nfs/dbraw/zinc/81/56/14/820815614.db2.gz PTWMXNBRJVKEGH-RRFJBIMHSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081675998 820815622 /nfs/dbraw/zinc/81/56/22/820815622.db2.gz PTWMXNBRJVKEGH-RRFJBIMHSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082742173 821030131 /nfs/dbraw/zinc/03/01/31/821030131.db2.gz UGZIPUDQRVZLLH-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085074825 821480036 /nfs/dbraw/zinc/48/00/36/821480036.db2.gz DWRAQPAXYXBOQK-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085074825 821480039 /nfs/dbraw/zinc/48/00/39/821480039.db2.gz DWRAQPAXYXBOQK-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085074825 821480043 /nfs/dbraw/zinc/48/00/43/821480043.db2.gz DWRAQPAXYXBOQK-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085512727 821760794 /nfs/dbraw/zinc/76/07/94/821760794.db2.gz BJAIXQRONXZVCJ-STQMWFEESA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085512727 821760802 /nfs/dbraw/zinc/76/08/02/821760802.db2.gz BJAIXQRONXZVCJ-STQMWFEESA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001085512727 821760808 /nfs/dbraw/zinc/76/08/08/821760808.db2.gz BJAIXQRONXZVCJ-STQMWFEESA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001085512727 821760814 /nfs/dbraw/zinc/76/08/14/821760814.db2.gz BJAIXQRONXZVCJ-STQMWFEESA-N 2 1 251.374 0.799 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085982172 822051985 /nfs/dbraw/zinc/05/19/85/822051985.db2.gz DEPMPRDCGXEKMS-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001085982172 822051994 /nfs/dbraw/zinc/05/19/94/822051994.db2.gz DEPMPRDCGXEKMS-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085982172 822052001 /nfs/dbraw/zinc/05/20/01/822052001.db2.gz DEPMPRDCGXEKMS-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085982172 822052012 /nfs/dbraw/zinc/05/20/12/822052012.db2.gz DEPMPRDCGXEKMS-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086091926 822110887 /nfs/dbraw/zinc/11/08/87/822110887.db2.gz SNUFQVULSGAKHN-BARDWOONSA-N 2 1 293.411 0.520 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC)C1 ZINC001086390536 822234131 /nfs/dbraw/zinc/23/41/31/822234131.db2.gz ZIFAGJJITKRHAN-IHRRRGAJSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC)C1 ZINC001086390536 822234135 /nfs/dbraw/zinc/23/41/35/822234135.db2.gz ZIFAGJJITKRHAN-IHRRRGAJSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccn1 ZINC001129775733 837561058 /nfs/dbraw/zinc/56/10/58/837561058.db2.gz RXZDKVDIDXPRSD-HNNXBMFYSA-N 2 1 286.379 0.385 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccn1 ZINC001129775733 837561067 /nfs/dbraw/zinc/56/10/67/837561067.db2.gz RXZDKVDIDXPRSD-HNNXBMFYSA-N 2 1 286.379 0.385 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130188328 837716282 /nfs/dbraw/zinc/71/62/82/837716282.db2.gz BUUFMCRBVFZMRB-LSDHHAIUSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001108356995 835987637 /nfs/dbraw/zinc/98/76/37/835987637.db2.gz UNROGACEWQDNBL-MRXNPFEDSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001108356995 835987646 /nfs/dbraw/zinc/98/76/46/835987646.db2.gz UNROGACEWQDNBL-MRXNPFEDSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108356995 835987648 /nfs/dbraw/zinc/98/76/48/835987648.db2.gz UNROGACEWQDNBL-MRXNPFEDSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108356995 835987658 /nfs/dbraw/zinc/98/76/58/835987658.db2.gz UNROGACEWQDNBL-MRXNPFEDSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129339662 836391876 /nfs/dbraw/zinc/39/18/76/836391876.db2.gz IUFGFWMEIPQTKM-CYBMUJFWSA-N 2 1 251.374 0.303 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364536 836528980 /nfs/dbraw/zinc/52/89/80/836528980.db2.gz WNLLVINLRNSUOE-HNNXBMFYSA-N 2 1 295.427 0.912 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129384810 836629771 /nfs/dbraw/zinc/62/97/71/836629771.db2.gz AAHSIZVYLSMFNC-CYBMUJFWSA-N 2 1 279.388 0.095 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109927008 836745511 /nfs/dbraw/zinc/74/55/11/836745511.db2.gz SKWNMARCHXNWHY-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109927008 836745500 /nfs/dbraw/zinc/74/55/00/836745500.db2.gz SKWNMARCHXNWHY-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001273495531 844314615 /nfs/dbraw/zinc/31/46/15/844314615.db2.gz APVRZGYXPDVKLE-CQSZACIVSA-N 2 1 281.400 0.121 20 30 CCEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001273495531 844314625 /nfs/dbraw/zinc/31/46/25/844314625.db2.gz APVRZGYXPDVKLE-CQSZACIVSA-N 2 1 281.400 0.121 20 30 CCEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001273495531 844314639 /nfs/dbraw/zinc/31/46/39/844314639.db2.gz APVRZGYXPDVKLE-CQSZACIVSA-N 2 1 281.400 0.121 20 30 CCEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001273495531 844314649 /nfs/dbraw/zinc/31/46/49/844314649.db2.gz APVRZGYXPDVKLE-CQSZACIVSA-N 2 1 281.400 0.121 20 30 CCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273640 838351514 /nfs/dbraw/zinc/35/15/14/838351514.db2.gz IBOXDKOECGKIAE-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273640 838351517 /nfs/dbraw/zinc/35/15/17/838351517.db2.gz IBOXDKOECGKIAE-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133853638 838741121 /nfs/dbraw/zinc/74/11/21/838741121.db2.gz MZQUXIRGZSAGBG-SNVBAGLBSA-N 2 1 259.781 0.787 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133856747 838751637 /nfs/dbraw/zinc/75/16/37/838751637.db2.gz PGYXVAFVVLWZDJ-HNNXBMFYSA-N 2 1 283.391 0.928 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133906164 838771655 /nfs/dbraw/zinc/77/16/55/838771655.db2.gz OLYONHLWONOPHY-UHFFFAOYSA-N 2 1 285.432 0.873 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675912 839350461 /nfs/dbraw/zinc/35/04/61/839350461.db2.gz NLTYUIRDLACHMN-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185692492 844447310 /nfs/dbraw/zinc/44/73/10/844447310.db2.gz UWMHBPKXTAEQEF-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001185706006 844451746 /nfs/dbraw/zinc/45/17/46/844451746.db2.gz KBFVCKHTQLHUET-QGZVFWFLSA-N 2 1 299.418 0.985 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001091075556 840036117 /nfs/dbraw/zinc/03/61/17/840036117.db2.gz MYYFJMHGMQTWKG-NRXISQOPSA-N 2 1 273.380 0.202 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001091075556 840036120 /nfs/dbraw/zinc/03/61/20/840036120.db2.gz MYYFJMHGMQTWKG-NRXISQOPSA-N 2 1 273.380 0.202 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001091100316 840054879 /nfs/dbraw/zinc/05/48/79/840054879.db2.gz PMYIJTILSVUAFJ-RUXDESIVSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001148548232 840836404 /nfs/dbraw/zinc/83/64/04/840836404.db2.gz NRCIGULMCMDYOH-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148548232 840836413 /nfs/dbraw/zinc/83/64/13/840836413.db2.gz NRCIGULMCMDYOH-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148548232 840836420 /nfs/dbraw/zinc/83/64/20/840836420.db2.gz NRCIGULMCMDYOH-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092272575 841003511 /nfs/dbraw/zinc/00/35/11/841003511.db2.gz GGSUDSHOYRRBDH-LZWOXQAQSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272575 841003521 /nfs/dbraw/zinc/00/35/21/841003521.db2.gz GGSUDSHOYRRBDH-LZWOXQAQSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272575 841003527 /nfs/dbraw/zinc/00/35/27/841003527.db2.gz GGSUDSHOYRRBDH-LZWOXQAQSA-N 2 1 277.412 0.904 20 30 CCEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178107239 842758322 /nfs/dbraw/zinc/75/83/22/842758322.db2.gz NJGMGAOPGQWLAD-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178107239 842758328 /nfs/dbraw/zinc/75/83/28/842758328.db2.gz NJGMGAOPGQWLAD-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP N#Cc1ccc2c(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c[nH]c2c1 ZINC001206476222 843691877 /nfs/dbraw/zinc/69/18/77/843691877.db2.gz SFMCLYMINNSIOF-XHDPSFHLSA-N 2 1 270.336 0.791 20 30 CCEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190901386 845526404 /nfs/dbraw/zinc/52/64/04/845526404.db2.gz XZPUZTRHNFFAHV-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190901386 845526419 /nfs/dbraw/zinc/52/64/19/845526419.db2.gz XZPUZTRHNFFAHV-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901386 845526425 /nfs/dbraw/zinc/52/64/25/845526425.db2.gz XZPUZTRHNFFAHV-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901386 845526434 /nfs/dbraw/zinc/52/64/34/845526434.db2.gz XZPUZTRHNFFAHV-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192399153 845846551 /nfs/dbraw/zinc/84/65/51/845846551.db2.gz VOUTZQQVCGGTCQ-KGLIPLIRSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193640953 846133946 /nfs/dbraw/zinc/13/39/46/846133946.db2.gz GPPSRLPEFUZDAX-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193640953 846133949 /nfs/dbraw/zinc/13/39/49/846133949.db2.gz GPPSRLPEFUZDAX-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193640953 846133950 /nfs/dbraw/zinc/13/39/50/846133950.db2.gz GPPSRLPEFUZDAX-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193827524 846161437 /nfs/dbraw/zinc/16/14/37/846161437.db2.gz APDDFDJYOKIIJI-ZIAGYGMSSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193827524 846161443 /nfs/dbraw/zinc/16/14/43/846161443.db2.gz APDDFDJYOKIIJI-ZIAGYGMSSA-N 2 1 281.400 0.208 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039248 846196113 /nfs/dbraw/zinc/19/61/13/846196113.db2.gz MBBYMWXDZAXPJQ-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194040761 846203792 /nfs/dbraw/zinc/20/37/92/846203792.db2.gz SGBMPVZMNRDASG-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194040761 846203803 /nfs/dbraw/zinc/20/38/03/846203803.db2.gz SGBMPVZMNRDASG-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057348 847214349 /nfs/dbraw/zinc/21/43/49/847214349.db2.gz ISWYWDFRLVFAOZ-HUUCEWRRSA-N 2 1 295.427 0.600 20 30 CCEDMP C=C[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273881449 847725246 /nfs/dbraw/zinc/72/52/46/847725246.db2.gz NOUPOSFFUKRXQG-ZFWWWQNUSA-N 2 1 281.400 0.162 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201808601 847815151 /nfs/dbraw/zinc/81/51/51/847815151.db2.gz DSLHXRGMMRQYEI-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@@H+](C)C1CC1 ZINC000884210830 848212002 /nfs/dbraw/zinc/21/20/02/848212002.db2.gz KVTGKFXXHPHJAS-ZMDMRTEPSA-N 2 1 290.411 0.725 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCF ZINC001274098165 848349064 /nfs/dbraw/zinc/34/90/64/848349064.db2.gz ZDSPSIJKHSVHSG-NQHOJNORSA-N 2 1 281.375 0.706 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCF ZINC001274098165 848349076 /nfs/dbraw/zinc/34/90/76/848349076.db2.gz ZDSPSIJKHSVHSG-NQHOJNORSA-N 2 1 281.375 0.706 20 30 CCEDMP C=C[C@@](C)(O)C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274614104 848523461 /nfs/dbraw/zinc/52/34/61/848523461.db2.gz BBZGVANRGWRKPD-CVEARBPZSA-N 2 1 295.427 0.409 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCF ZINC001275573827 848765008 /nfs/dbraw/zinc/76/50/08/848765008.db2.gz IOFURJJRLXPZHW-KBPBESRZSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCF ZINC001275573827 848765010 /nfs/dbraw/zinc/76/50/10/848765010.db2.gz IOFURJJRLXPZHW-KBPBESRZSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCCF ZINC001275573827 848765013 /nfs/dbraw/zinc/76/50/13/848765013.db2.gz IOFURJJRLXPZHW-KBPBESRZSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCCF ZINC001275573827 848765016 /nfs/dbraw/zinc/76/50/16/848765016.db2.gz IOFURJJRLXPZHW-KBPBESRZSA-N 2 1 283.391 0.880 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CCC ZINC001275976822 848879282 /nfs/dbraw/zinc/87/92/82/848879282.db2.gz JHUQMFLBWJBGIN-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CCC ZINC001275976822 848879287 /nfs/dbraw/zinc/87/92/87/848879287.db2.gz JHUQMFLBWJBGIN-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP CC#CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CCC ZINC001275976822 848879295 /nfs/dbraw/zinc/87/92/95/848879295.db2.gz JHUQMFLBWJBGIN-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001276013757 848891802 /nfs/dbraw/zinc/89/18/02/848891802.db2.gz ZMVFRLSXRYRQCX-CYBMUJFWSA-N 2 1 253.390 0.786 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001276013757 848891806 /nfs/dbraw/zinc/89/18/06/848891806.db2.gz ZMVFRLSXRYRQCX-CYBMUJFWSA-N 2 1 253.390 0.786 20 30 CCEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778563 849391684 /nfs/dbraw/zinc/39/16/84/849391684.db2.gz NGAPTZZACLRVIC-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C[C@@H](O)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001253579803 849548704 /nfs/dbraw/zinc/54/87/04/849548704.db2.gz UFEGDJLYWCOKMS-CQSZACIVSA-N 2 1 281.400 0.019 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314997 850613570 /nfs/dbraw/zinc/61/35/70/850613570.db2.gz YBQJVTGUSNRZOA-HUUCEWRRSA-N 2 1 287.407 0.638 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001044684870 851143603 /nfs/dbraw/zinc/14/36/03/851143603.db2.gz LSJJRBYPLATZSM-TZMCWYRMSA-N 2 1 274.368 0.794 20 30 CCEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046846354 851627979 /nfs/dbraw/zinc/62/79/79/851627979.db2.gz UDWFZDIEMKJURL-GDBMZVCRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046846354 851627984 /nfs/dbraw/zinc/62/79/84/851627984.db2.gz UDWFZDIEMKJURL-GDBMZVCRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046846354 851627988 /nfs/dbraw/zinc/62/79/88/851627988.db2.gz UDWFZDIEMKJURL-GDBMZVCRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046846354 851627992 /nfs/dbraw/zinc/62/79/92/851627992.db2.gz UDWFZDIEMKJURL-GDBMZVCRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598226 851829919 /nfs/dbraw/zinc/82/99/19/851829919.db2.gz AMQBEARTMPBQRO-KBPBESRZSA-N 2 1 293.411 0.162 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096354398 851951701 /nfs/dbraw/zinc/95/17/01/851951701.db2.gz DMDFRVUXFRSCLM-RDBSUJKOSA-N 2 1 275.396 0.990 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049060174 852151947 /nfs/dbraw/zinc/15/19/47/852151947.db2.gz OIEICIBRMPTIJG-LVQVYYBASA-N 2 1 289.423 0.598 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049060174 852151957 /nfs/dbraw/zinc/15/19/57/852151957.db2.gz OIEICIBRMPTIJG-LVQVYYBASA-N 2 1 289.423 0.598 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049060174 852151964 /nfs/dbraw/zinc/15/19/64/852151964.db2.gz OIEICIBRMPTIJG-LVQVYYBASA-N 2 1 289.423 0.598 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049226997 852197440 /nfs/dbraw/zinc/19/74/40/852197440.db2.gz RJFBHOKLLKCLGQ-ZNMIVQPWSA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049226997 852197449 /nfs/dbraw/zinc/19/74/49/852197449.db2.gz RJFBHOKLLKCLGQ-ZNMIVQPWSA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049226997 852197450 /nfs/dbraw/zinc/19/74/50/852197450.db2.gz RJFBHOKLLKCLGQ-ZNMIVQPWSA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049226997 852197460 /nfs/dbraw/zinc/19/74/60/852197460.db2.gz RJFBHOKLLKCLGQ-ZNMIVQPWSA-N 2 1 293.411 0.283 20 30 CCEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C)CCO1)C2 ZINC001096912368 852464635 /nfs/dbraw/zinc/46/46/35/852464635.db2.gz IGHNNCABWUDIDM-APIJFGDWSA-N 2 1 293.411 0.615 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001052931642 852671378 /nfs/dbraw/zinc/67/13/78/852671378.db2.gz ZYUDSJTXCWXJEF-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001052931642 852671384 /nfs/dbraw/zinc/67/13/84/852671384.db2.gz ZYUDSJTXCWXJEF-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001054296156 852903939 /nfs/dbraw/zinc/90/39/39/852903939.db2.gz AKFWKBODLUZTOS-KFWWJZLASA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001054296156 852903943 /nfs/dbraw/zinc/90/39/43/852903943.db2.gz AKFWKBODLUZTOS-KFWWJZLASA-N 2 1 293.411 0.045 20 30 CCEDMP C[NH+](C)CCN1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCC1=O ZINC001254668572 852904141 /nfs/dbraw/zinc/90/41/41/852904141.db2.gz GVTLGSSDCDEPLH-ZIAGYGMSSA-N 2 1 278.400 0.775 20 30 CCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072580420 854421401 /nfs/dbraw/zinc/42/14/01/854421401.db2.gz ACVOIHBZDFRNOS-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072580420 854421409 /nfs/dbraw/zinc/42/14/09/854421409.db2.gz ACVOIHBZDFRNOS-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580420 854421415 /nfs/dbraw/zinc/42/14/15/854421415.db2.gz ACVOIHBZDFRNOS-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580420 854421425 /nfs/dbraw/zinc/42/14/25/854421425.db2.gz ACVOIHBZDFRNOS-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072814380 854470163 /nfs/dbraw/zinc/47/01/63/854470163.db2.gz BXFBKLTWIIYARR-OAHLLOKOSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072981223 854506544 /nfs/dbraw/zinc/50/65/44/854506544.db2.gz AYJYLYBCLPIIIM-CABCVRRESA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001072981223 854506551 /nfs/dbraw/zinc/50/65/51/854506551.db2.gz AYJYLYBCLPIIIM-CABCVRRESA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001072981223 854506554 /nfs/dbraw/zinc/50/65/54/854506554.db2.gz AYJYLYBCLPIIIM-CABCVRRESA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073130481 854535956 /nfs/dbraw/zinc/53/59/56/854535956.db2.gz WTPAVMUOBLDTME-UHFFFAOYSA-N 2 1 275.396 0.803 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001075038948 854808312 /nfs/dbraw/zinc/80/83/12/854808312.db2.gz LZEWMTRYZUSOFS-MJBXVCDLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)C)C1 ZINC001099528743 854936165 /nfs/dbraw/zinc/93/61/65/854936165.db2.gz IUVGAHPGFXCASS-VGWMRTNUSA-N 2 1 289.423 0.740 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099969583 855055641 /nfs/dbraw/zinc/05/56/41/855055641.db2.gz KSUZSQXQARWFBA-QWHCGFSZSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132688 855104072 /nfs/dbraw/zinc/10/40/72/855104072.db2.gz XMRPWWFXWXMQDQ-KGLIPLIRSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132688 855104074 /nfs/dbraw/zinc/10/40/74/855104074.db2.gz XMRPWWFXWXMQDQ-KGLIPLIRSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132688 855104077 /nfs/dbraw/zinc/10/40/77/855104077.db2.gz XMRPWWFXWXMQDQ-KGLIPLIRSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034211 855563295 /nfs/dbraw/zinc/56/32/95/855563295.db2.gz XTEHYBZRGSIZAG-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034211 855563301 /nfs/dbraw/zinc/56/33/01/855563301.db2.gz XTEHYBZRGSIZAG-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001115241175 855653657 /nfs/dbraw/zinc/65/36/57/855653657.db2.gz DAOVPBZPIZQEMB-BYNSBNAKSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115241175 855653661 /nfs/dbraw/zinc/65/36/61/855653661.db2.gz DAOVPBZPIZQEMB-BYNSBNAKSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115241175 855653664 /nfs/dbraw/zinc/65/36/64/855653664.db2.gz DAOVPBZPIZQEMB-BYNSBNAKSA-N 2 1 293.411 0.187 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001492816247 912250582 /nfs/dbraw/zinc/25/05/82/912250582.db2.gz DTBWDAJFXBLJTG-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C=C(C)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266327123 891447100 /nfs/dbraw/zinc/44/71/00/891447100.db2.gz YUDYNNHULMFMOD-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(C)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266327123 891447103 /nfs/dbraw/zinc/44/71/03/891447103.db2.gz YUDYNNHULMFMOD-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001496232295 892018696 /nfs/dbraw/zinc/01/86/96/892018696.db2.gz HJEYWTYKKDGUQO-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001496232295 892018703 /nfs/dbraw/zinc/01/87/03/892018703.db2.gz HJEYWTYKKDGUQO-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC001326045470 913717403 /nfs/dbraw/zinc/71/74/03/913717403.db2.gz COJHFMXLXWETEU-KGLIPLIRSA-N 2 1 287.367 0.576 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001481702583 893046311 /nfs/dbraw/zinc/04/63/11/893046311.db2.gz JHWWSTQFAMBRMJ-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001481702583 893046339 /nfs/dbraw/zinc/04/63/39/893046339.db2.gz JHWWSTQFAMBRMJ-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001481702583 893046356 /nfs/dbraw/zinc/04/63/56/893046356.db2.gz JHWWSTQFAMBRMJ-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001481702583 893046373 /nfs/dbraw/zinc/04/63/73/893046373.db2.gz JHWWSTQFAMBRMJ-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001482155536 893445254 /nfs/dbraw/zinc/44/52/54/893445254.db2.gz GCQZWRFLLLCHMC-CYBMUJFWSA-N 2 1 297.362 0.856 20 30 CCEDMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001482344546 893895136 /nfs/dbraw/zinc/89/51/36/893895136.db2.gz UUUXCJDONPRGTC-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CC[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001482364088 893919795 /nfs/dbraw/zinc/91/97/95/893919795.db2.gz BCBLLFLFWAATHC-NSHDSACASA-N 2 1 250.346 0.814 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001483129311 894979462 /nfs/dbraw/zinc/97/94/62/894979462.db2.gz WJDSKGYFMBSFFJ-FRRDWIJNSA-N 2 1 251.374 0.444 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C(C)C)CC1 ZINC001483742407 895974634 /nfs/dbraw/zinc/97/46/34/895974634.db2.gz JXCNGCTVUARXQM-ZDUSSCGKSA-N 2 1 263.385 0.731 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C(C)C)CC1 ZINC001483742407 895974639 /nfs/dbraw/zinc/97/46/39/895974639.db2.gz JXCNGCTVUARXQM-ZDUSSCGKSA-N 2 1 263.385 0.731 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001483795586 896056153 /nfs/dbraw/zinc/05/61/53/896056153.db2.gz XWHJPLWAWUVLKR-CYBMUJFWSA-N 2 1 263.385 0.732 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001484444196 896412729 /nfs/dbraw/zinc/41/27/29/896412729.db2.gz QSNOPMDLHKUBOG-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001484698607 896545297 /nfs/dbraw/zinc/54/52/97/896545297.db2.gz BBHDFIQQRVNOFE-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001484855814 896634364 /nfs/dbraw/zinc/63/43/64/896634364.db2.gz QKBGJQQCDAGQFP-INIZCTEOSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001484955988 896684703 /nfs/dbraw/zinc/68/47/03/896684703.db2.gz UYGJBPBTIKOCPO-CQSZACIVSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485001419 896702393 /nfs/dbraw/zinc/70/23/93/896702393.db2.gz JVFHHXPNLMMBKI-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001485802731 897253920 /nfs/dbraw/zinc/25/39/20/897253920.db2.gz BCZBENMYFOCIQP-HUUCEWRRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCN1CC[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272809031 897772645 /nfs/dbraw/zinc/77/26/45/897772645.db2.gz VNARJYALGQLVSQ-MRXNPFEDSA-N 2 1 284.363 0.552 20 30 CCEDMP C#CCN1CC[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272809031 897772660 /nfs/dbraw/zinc/77/26/60/897772660.db2.gz VNARJYALGQLVSQ-MRXNPFEDSA-N 2 1 284.363 0.552 20 30 CCEDMP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001032589113 897784143 /nfs/dbraw/zinc/78/41/43/897784143.db2.gz YENDWDHXLGPIEY-SOUVJXGZSA-N 2 1 291.395 0.014 20 30 CCEDMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485834551 898049468 /nfs/dbraw/zinc/04/94/68/898049468.db2.gz QBSPNKQVKPXYBZ-UONOGXRCSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[NH2+][C@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001486035311 898622224 /nfs/dbraw/zinc/62/22/24/898622224.db2.gz ZRCGFSJJNUWEQX-LBPRGKRZSA-N 2 1 271.405 0.217 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001486347268 898827134 /nfs/dbraw/zinc/82/71/34/898827134.db2.gz NNXJNYKAFIZDFK-GJZGRUSLSA-N 2 1 297.443 0.798 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001486347268 898827142 /nfs/dbraw/zinc/82/71/42/898827142.db2.gz NNXJNYKAFIZDFK-GJZGRUSLSA-N 2 1 297.443 0.798 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001486347268 898827156 /nfs/dbraw/zinc/82/71/56/898827156.db2.gz NNXJNYKAFIZDFK-GJZGRUSLSA-N 2 1 297.443 0.798 20 30 CCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC001486389553 898852500 /nfs/dbraw/zinc/85/25/00/898852500.db2.gz AUKDFOFMWIFGGD-UONOGXRCSA-N 2 1 295.427 0.461 20 30 CCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC001486389553 898852522 /nfs/dbraw/zinc/85/25/22/898852522.db2.gz AUKDFOFMWIFGGD-UONOGXRCSA-N 2 1 295.427 0.461 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001488792208 900392391 /nfs/dbraw/zinc/39/23/91/900392391.db2.gz JUCYHERNWDXNBM-UXLLHSPISA-N 2 1 289.423 0.980 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001489147348 900438881 /nfs/dbraw/zinc/43/88/81/900438881.db2.gz JHGFGKRHRWGVAL-UONOGXRCSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1CC ZINC001489147348 900438884 /nfs/dbraw/zinc/43/88/84/900438884.db2.gz JHGFGKRHRWGVAL-UONOGXRCSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1CC ZINC001489147348 900438887 /nfs/dbraw/zinc/43/88/87/900438887.db2.gz JHGFGKRHRWGVAL-UONOGXRCSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001490569910 900668976 /nfs/dbraw/zinc/66/89/76/900668976.db2.gz LRYUQDBSLSWFAQ-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001490798340 900756095 /nfs/dbraw/zinc/75/60/95/900756095.db2.gz DEWRADWOXQJXGG-BETUJISGSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001490798340 900756109 /nfs/dbraw/zinc/75/61/09/900756109.db2.gz DEWRADWOXQJXGG-BETUJISGSA-N 2 1 251.374 0.799 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001280660429 900874356 /nfs/dbraw/zinc/87/43/56/900874356.db2.gz XZNONNFDCPFYAH-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001319606967 900891868 /nfs/dbraw/zinc/89/18/68/900891868.db2.gz ZTUXDNFXIRWZKW-ZIAGYGMSSA-N 2 1 283.416 0.624 20 30 CCEDMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001319606967 900891874 /nfs/dbraw/zinc/89/18/74/900891874.db2.gz ZTUXDNFXIRWZKW-ZIAGYGMSSA-N 2 1 283.416 0.624 20 30 CCEDMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001319606959 900892594 /nfs/dbraw/zinc/89/25/94/900892594.db2.gz ZTUXDNFXIRWZKW-UONOGXRCSA-N 2 1 283.416 0.624 20 30 CCEDMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001319606959 900892596 /nfs/dbraw/zinc/89/25/96/900892596.db2.gz ZTUXDNFXIRWZKW-UONOGXRCSA-N 2 1 283.416 0.624 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001490925398 903255561 /nfs/dbraw/zinc/25/55/61/903255561.db2.gz BZBVTVCCUWXINN-MGPQQGTHSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCF ZINC001491486602 903620717 /nfs/dbraw/zinc/62/07/17/903620717.db2.gz LPBQGYABWZUVDE-OLZOCXBDSA-N 2 1 269.364 0.538 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCF ZINC001491486602 903620718 /nfs/dbraw/zinc/62/07/18/903620718.db2.gz LPBQGYABWZUVDE-OLZOCXBDSA-N 2 1 269.364 0.538 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001281770507 904345262 /nfs/dbraw/zinc/34/52/62/904345262.db2.gz MOGHMSXCIADVMW-QWHCGFSZSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC001281965650 904376574 /nfs/dbraw/zinc/37/65/74/904376574.db2.gz VOVQUFMYCMNOHJ-ZDUSSCGKSA-N 2 1 274.368 0.898 20 30 CCEDMP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001282927226 904606281 /nfs/dbraw/zinc/60/62/81/904606281.db2.gz DQANTMICQKBBHI-OCCSQVGLSA-N 2 1 292.383 0.583 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316628600 904923880 /nfs/dbraw/zinc/92/38/80/904923880.db2.gz RJRDUFJDOSWMRC-MGPQQGTHSA-N 2 1 263.385 0.588 20 30 CCEDMP COCC#CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001283720427 904971596 /nfs/dbraw/zinc/97/15/96/904971596.db2.gz CHTYNEPHPXDSHU-CQSZACIVSA-N 2 1 283.416 0.413 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001491809727 907611974 /nfs/dbraw/zinc/61/19/74/907611974.db2.gz ZJPXRLMLQOMTSQ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317138749 908750084 /nfs/dbraw/zinc/75/00/84/908750084.db2.gz VWTRTQIOPKBQPR-OAHLLOKOSA-N 2 1 277.412 0.934 20 30 CCEDMP C=C(C)C[NH2+][C@@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001317027398 908928093 /nfs/dbraw/zinc/92/80/93/908928093.db2.gz LHSNGIUUSGKDJX-HNNXBMFYSA-N 2 1 295.427 0.769 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317104309 908981980 /nfs/dbraw/zinc/98/19/80/908981980.db2.gz FSMYYKXUPVRJOX-XQQFMLRXSA-N 2 1 251.374 0.894 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317126221 908996486 /nfs/dbraw/zinc/99/64/86/908996486.db2.gz MSADTJPHISRHQS-UPJWGTAASA-N 2 1 251.374 0.751 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317322875 909143815 /nfs/dbraw/zinc/14/38/15/909143815.db2.gz QQEGWTRZCYCLPC-LSDHHAIUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317478830 909248760 /nfs/dbraw/zinc/24/87/60/909248760.db2.gz YQJIHLDGMDRLSM-AWEZNQCLSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001319198382 910034167 /nfs/dbraw/zinc/03/41/67/910034167.db2.gz VAJHJJOJUILBJC-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001319484964 910172022 /nfs/dbraw/zinc/17/20/22/910172022.db2.gz CUJCOUIYPLVDQE-LBPRGKRZSA-N 2 1 292.383 0.810 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001319533418 910190942 /nfs/dbraw/zinc/19/09/42/910190942.db2.gz FUEBZBHUAYFWAN-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[N@H+](C)CCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001320022782 910416682 /nfs/dbraw/zinc/41/66/82/910416682.db2.gz YWYZOBQFEBWGQY-UHFFFAOYSA-N 2 1 297.443 0.921 20 30 CCEDMP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001320531074 910725450 /nfs/dbraw/zinc/72/54/50/910725450.db2.gz XMPVLQZLPXDKQH-IHRRRGAJSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001322183668 911699908 /nfs/dbraw/zinc/69/99/08/911699908.db2.gz UOTAXDIMAFZRAS-CQSZACIVSA-N 2 1 295.427 0.415 20 30 CCEDMP C=CC[NH2+]C[C@H](NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001323090753 912108810 /nfs/dbraw/zinc/10/88/10/912108810.db2.gz QVJWLXUIWVEWKI-AWEZNQCLSA-N 2 1 281.400 0.379 20 30 CCEDMP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001329148731 915705091 /nfs/dbraw/zinc/70/50/91/915705091.db2.gz QWGDFKGKKWIPQU-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001329411550 915890397 /nfs/dbraw/zinc/89/03/97/915890397.db2.gz PLPYZQROVBSUPX-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001329411550 915890360 /nfs/dbraw/zinc/89/03/60/915890360.db2.gz PLPYZQROVBSUPX-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001329411550 915890380 /nfs/dbraw/zinc/89/03/80/915890380.db2.gz PLPYZQROVBSUPX-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001329411550 915890414 /nfs/dbraw/zinc/89/04/14/915890414.db2.gz PLPYZQROVBSUPX-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001329411550 915890433 /nfs/dbraw/zinc/89/04/33/915890433.db2.gz PLPYZQROVBSUPX-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001329560565 916009763 /nfs/dbraw/zinc/00/97/63/916009763.db2.gz ORKXPCUWOOEYJI-LLVKDONJSA-N 2 1 250.346 0.965 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cnc[nH]1 ZINC001329560565 916009778 /nfs/dbraw/zinc/00/97/78/916009778.db2.gz ORKXPCUWOOEYJI-LLVKDONJSA-N 2 1 250.346 0.965 20 30 CCEDMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001329876443 916249058 /nfs/dbraw/zinc/24/90/58/916249058.db2.gz RCIFGDHPEGRZDZ-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001329876443 916249078 /nfs/dbraw/zinc/24/90/78/916249078.db2.gz RCIFGDHPEGRZDZ-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP CCN1CC[NH+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001332094400 917858868 /nfs/dbraw/zinc/85/88/68/917858868.db2.gz RNUSPLAWTLLMLE-AWEZNQCLSA-N 2 1 295.431 0.151 20 30 CCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001332648362 918351019 /nfs/dbraw/zinc/35/10/19/918351019.db2.gz ONWURDMVRPUPMU-QWHCGFSZSA-N 2 1 269.389 0.018 20 30 CCEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001332648362 918351035 /nfs/dbraw/zinc/35/10/35/918351035.db2.gz ONWURDMVRPUPMU-QWHCGFSZSA-N 2 1 269.389 0.018 20 30 CCEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001332648362 918351051 /nfs/dbraw/zinc/35/10/51/918351051.db2.gz ONWURDMVRPUPMU-QWHCGFSZSA-N 2 1 269.389 0.018 20 30 CCEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332676851 918374878 /nfs/dbraw/zinc/37/48/78/918374878.db2.gz FSPBSZSUMIFESC-ZDUSSCGKSA-N 2 1 280.372 0.129 20 30 CCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332676851 918374889 /nfs/dbraw/zinc/37/48/89/918374889.db2.gz FSPBSZSUMIFESC-ZDUSSCGKSA-N 2 1 280.372 0.129 20 30 CCEDMP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)CC#N)CCO2 ZINC001341580956 922564988 /nfs/dbraw/zinc/56/49/88/922564988.db2.gz RVJNWGCIUDYSOG-GFCCVEGCSA-N 2 1 253.346 0.058 20 30 CCEDMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)CC#N)CCO2 ZINC001341580956 922565002 /nfs/dbraw/zinc/56/50/02/922565002.db2.gz RVJNWGCIUDYSOG-GFCCVEGCSA-N 2 1 253.346 0.058 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001341677071 922623920 /nfs/dbraw/zinc/62/39/20/922623920.db2.gz JFNSSTYZOHNCNW-RDBSUJKOSA-N 2 1 281.400 0.649 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200116615 925627579 /nfs/dbraw/zinc/62/75/79/925627579.db2.gz YXFXTRYLBASASZ-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP Cn1c[nH+]cc1CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC001356582120 926404200 /nfs/dbraw/zinc/40/42/00/926404200.db2.gz AKPPMINGLZPQHF-CQSZACIVSA-N 2 1 292.383 0.624 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001450063735 931227787 /nfs/dbraw/zinc/22/77/87/931227787.db2.gz HREHQGDNPXDUNJ-CYBMUJFWSA-N 2 1 269.389 0.067 20 30 CCEDMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1(C)C ZINC000600736155 362050084 /nfs/dbraw/zinc/05/00/84/362050084.db2.gz QQQXWVZXSDZYEX-CQSZACIVSA-N 2 1 294.443 0.657 20 30 CCEDMP N#Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000063178486 348680731 /nfs/dbraw/zinc/68/07/31/348680731.db2.gz SKGHVZQLEUIYOM-HNNXBMFYSA-N 2 1 286.379 0.845 20 30 CCEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)Cc1ccco1 ZINC000088769325 349372499 /nfs/dbraw/zinc/37/24/99/349372499.db2.gz BHQSBXKLSRDLEY-ZDUSSCGKSA-N 2 1 293.415 0.533 20 30 CCEDMP CCNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000273028187 353109968 /nfs/dbraw/zinc/10/99/68/353109968.db2.gz XRVIYFIIKHXNOY-CQSZACIVSA-N 2 1 276.384 0.677 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000491202125 358292796 /nfs/dbraw/zinc/29/27/96/358292796.db2.gz LWRNDZWKXDVRFL-OAHLLOKOSA-N 2 1 277.412 0.934 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1=CC[NH+](C)CC1 ZINC000297491991 200209876 /nfs/dbraw/zinc/20/98/76/200209876.db2.gz NIYJJEJUYDUBFT-UHFFFAOYSA-N 2 1 278.400 0.503 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000297491991 200209878 /nfs/dbraw/zinc/20/98/78/200209878.db2.gz NIYJJEJUYDUBFT-UHFFFAOYSA-N 2 1 278.400 0.503 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000297491991 200209880 /nfs/dbraw/zinc/20/98/80/200209880.db2.gz NIYJJEJUYDUBFT-UHFFFAOYSA-N 2 1 278.400 0.503 20 30 CCEDMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)C1CC1 ZINC000594435903 360304542 /nfs/dbraw/zinc/30/45/42/360304542.db2.gz AVPLTTCASJMPOB-ZDUSSCGKSA-N 2 1 266.389 0.998 20 30 CCEDMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594444587 360312515 /nfs/dbraw/zinc/31/25/15/360312515.db2.gz UZFJSFPXEXHUIE-YPMHNXCESA-N 2 1 270.352 0.558 20 30 CCEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598628205 361466867 /nfs/dbraw/zinc/46/68/67/361466867.db2.gz LMDLRUIVBSFTFP-LSDHHAIUSA-N 2 1 295.427 0.818 20 30 CCEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598628205 361466871 /nfs/dbraw/zinc/46/68/71/361466871.db2.gz LMDLRUIVBSFTFP-LSDHHAIUSA-N 2 1 295.427 0.818 20 30 CCEDMP C[N@H+]1CC[C@H]([NH2+]CCn2cnc(C#N)n2)CC1(C)C ZINC000598976986 361544343 /nfs/dbraw/zinc/54/43/43/361544343.db2.gz XSDIZCRJVXHVDX-NSHDSACASA-N 2 1 262.361 0.612 20 30 CCEDMP C=CCCn1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)nn1 ZINC000657371848 412973240 /nfs/dbraw/zinc/97/32/40/412973240.db2.gz OHKYZEMZMCBXDA-UHFFFAOYSA-N 2 1 279.388 0.401 20 30 CCEDMP CC#CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000119613619 389140445 /nfs/dbraw/zinc/14/04/45/389140445.db2.gz LXRDHQCLSGYSTQ-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1ccnc1C ZINC000264095102 389306485 /nfs/dbraw/zinc/30/64/85/389306485.db2.gz MKHOHBRJNPYVQG-AWEZNQCLSA-N 2 1 292.431 0.970 20 30 CCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000264095102 389306487 /nfs/dbraw/zinc/30/64/87/389306487.db2.gz MKHOHBRJNPYVQG-AWEZNQCLSA-N 3 1 292.431 0.970 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000264095102 389306490 /nfs/dbraw/zinc/30/64/90/389306490.db2.gz MKHOHBRJNPYVQG-AWEZNQCLSA-N 3 1 292.431 0.970 20 30 CCEDMP CN(C)C(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000170911971 389468970 /nfs/dbraw/zinc/46/89/70/389468970.db2.gz LZJFHNHEESHKHG-UHFFFAOYSA-N 2 1 276.388 0.210 20 30 CCEDMP C[C@@H]1C[C@H](O)C[NH+](CC#CC[N@@H+]2C[C@H](O)C[C@H](C)C2)C1 ZINC000412037941 389472896 /nfs/dbraw/zinc/47/28/96/389472896.db2.gz NQIGLDOPAURZRK-SYMSYNOKSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1C[C@H](O)C[N@H+](CC#CC[NH+]2C[C@H](O)C[C@H](C)C2)C1 ZINC000412037941 389472898 /nfs/dbraw/zinc/47/28/98/389472898.db2.gz NQIGLDOPAURZRK-SYMSYNOKSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1C[C@H](O)C[N@@H+](CC#CC[NH+]2C[C@H](O)C[C@H](C)C2)C1 ZINC000412037941 389472899 /nfs/dbraw/zinc/47/28/99/389472899.db2.gz NQIGLDOPAURZRK-SYMSYNOKSA-N 2 1 280.412 0.395 20 30 CCEDMP C#C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373477993 389485792 /nfs/dbraw/zinc/48/57/92/389485792.db2.gz AYWMPMPGYAWMPO-CHWSQXEVSA-N 2 1 278.400 0.476 20 30 CCEDMP C#C[C@@H](C)NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373477993 389485793 /nfs/dbraw/zinc/48/57/93/389485793.db2.gz AYWMPMPGYAWMPO-CHWSQXEVSA-N 2 1 278.400 0.476 20 30 CCEDMP C[NH+]=C(NCc1ccoc1)NC[C@H]1CC[N@@H+](C)C1 ZINC000176306152 389556323 /nfs/dbraw/zinc/55/63/23/389556323.db2.gz OSZCBOMKPPARND-LLVKDONJSA-N 2 1 250.346 0.896 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)C[C@@H]1CCOC1)C[C@@H]1CCOC1 ZINC000351473738 389585244 /nfs/dbraw/zinc/58/52/44/389585244.db2.gz WKIBELLGFZYQSD-HOTGVXAUSA-N 2 1 280.412 0.926 20 30 CCEDMP CN(C)C(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000180454775 389671091 /nfs/dbraw/zinc/67/10/91/389671091.db2.gz AWPDBJFFDKYFPH-CQSZACIVSA-N 2 1 276.384 0.630 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397236585 389778354 /nfs/dbraw/zinc/77/83/54/389778354.db2.gz BSNYVAORDAGHLP-SRVKXCTJSA-N 2 1 282.388 0.303 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397236585 389778357 /nfs/dbraw/zinc/77/83/57/389778357.db2.gz BSNYVAORDAGHLP-SRVKXCTJSA-N 2 1 282.388 0.303 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442763407 389861484 /nfs/dbraw/zinc/86/14/84/389861484.db2.gz IXGCNQKTVSREMK-OUAUKWLOSA-N 2 1 268.361 0.056 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442763407 389861487 /nfs/dbraw/zinc/86/14/87/389861487.db2.gz IXGCNQKTVSREMK-OUAUKWLOSA-N 2 1 268.361 0.056 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000491385849 390112776 /nfs/dbraw/zinc/11/27/76/390112776.db2.gz SNHFKGHYDHUNRG-KBPBESRZSA-N 2 1 280.416 0.853 20 30 CCEDMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000563955287 390494277 /nfs/dbraw/zinc/49/42/77/390494277.db2.gz WGCAJDHIWXJFCC-QWHCGFSZSA-N 2 1 266.389 0.854 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000652352778 412036520 /nfs/dbraw/zinc/03/65/20/412036520.db2.gz WGKMMKXMLCGWSD-GUTXKFCHSA-N 2 1 263.385 0.834 20 30 CCEDMP C=CC[C@@]1(C(=O)NCCC[N@H+](C)CCOC)CCC[NH2+]1 ZINC000662685571 414741026 /nfs/dbraw/zinc/74/10/26/414741026.db2.gz VBRBFEVVXSJRGT-HNNXBMFYSA-N 2 1 283.416 0.769 20 30 CCEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000328832167 545019649 /nfs/dbraw/zinc/01/96/49/545019649.db2.gz VGHRKXLYPHJUAR-AWEZNQCLSA-N 2 1 287.367 0.885 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374157117 260188680 /nfs/dbraw/zinc/18/86/80/260188680.db2.gz FCALKQJWYSILRA-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@@H](O)C2)C[C@H]1O ZINC000341905927 263365170 /nfs/dbraw/zinc/36/51/70/263365170.db2.gz SVARYCZAPJUCRI-GEEKYZPCSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@@H](O)C2)C[C@H]1O ZINC000341905927 263365172 /nfs/dbraw/zinc/36/51/72/263365172.db2.gz SVARYCZAPJUCRI-GEEKYZPCSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@@H](O)C2)C[C@H]1O ZINC000341905927 263365174 /nfs/dbraw/zinc/36/51/74/263365174.db2.gz SVARYCZAPJUCRI-GEEKYZPCSA-N 2 1 280.412 0.395 20 30 CCEDMP C=CCC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000305060408 267865269 /nfs/dbraw/zinc/86/52/69/267865269.db2.gz GIZYIGDRYURDNL-OAHLLOKOSA-N 2 1 295.427 0.554 20 30 CCEDMP CC[NH+](CC#CC[N@H+](CC)C[C@@H](C)O)C[C@H](C)O ZINC000352194414 276310627 /nfs/dbraw/zinc/31/06/27/276310627.db2.gz JNJTWJRYVPLSLJ-OKILXGFUSA-N 2 1 256.390 0.395 20 30 CCEDMP CC[NH+](CC#CC[N@H+](CC)C[C@H](C)O)C[C@@H](C)O ZINC000352194414 276310628 /nfs/dbraw/zinc/31/06/28/276310628.db2.gz JNJTWJRYVPLSLJ-OKILXGFUSA-N 2 1 256.390 0.395 20 30 CCEDMP CC[NH+](CC#CC[N@@H+](CC)C[C@H](C)O)C[C@@H](C)O ZINC000352194414 276310629 /nfs/dbraw/zinc/31/06/29/276310629.db2.gz JNJTWJRYVPLSLJ-OKILXGFUSA-N 2 1 256.390 0.395 20 30 CCEDMP C=CCNC(NC[C@@]1([NH+](C)C)CCSC1)=[NH+]C ZINC000262421878 328150089 /nfs/dbraw/zinc/15/00/89/328150089.db2.gz FRRXQQSZIPXSIM-LBPRGKRZSA-N 2 1 256.419 0.775 20 30 CCEDMP C#CC[N@@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000490865560 332121758 /nfs/dbraw/zinc/12/17/58/332121758.db2.gz DQXKOFOFZNVHCH-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000490865560 332121760 /nfs/dbraw/zinc/12/17/60/332121760.db2.gz DQXKOFOFZNVHCH-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000262267255 330003264 /nfs/dbraw/zinc/00/32/64/330003264.db2.gz HPVHNXHAZGUFMA-NSHDSACASA-N 2 1 297.353 0.937 20 30 CCEDMP C[C@H]1C[NH+]=C(NCc2ccc(C[NH+]3CCOCC3)cc2)N1 ZINC000262479598 330016530 /nfs/dbraw/zinc/01/65/30/330016530.db2.gz CSZXLDPZGXFTIW-ZDUSSCGKSA-N 2 1 288.395 0.956 20 30 CCEDMP C[NH+](C)[C@]1(CNC(=[NH2+])NC[C@H]2CCCO2)CCSC1 ZINC000262498658 330017852 /nfs/dbraw/zinc/01/78/52/330017852.db2.gz XLBNMNNPEZGDEV-YPMHNXCESA-N 2 1 286.445 0.507 20 30 CCEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262505427 330018497 /nfs/dbraw/zinc/01/84/97/330018497.db2.gz ZTLNMUVWQIXOMD-OLZOCXBDSA-N 2 1 284.404 0.133 20 30 CCEDMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424143222 330286980 /nfs/dbraw/zinc/28/69/80/330286980.db2.gz FLWYWUOXOVDDLP-STQMWFEESA-N 2 1 266.389 0.998 20 30 CCEDMP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000424153581 330300095 /nfs/dbraw/zinc/30/00/95/330300095.db2.gz KIZQNOWIOJWMTC-OLZOCXBDSA-N 2 1 264.373 0.703 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000490679656 332103211 /nfs/dbraw/zinc/10/32/11/332103211.db2.gz UDPQZMRUYGMLDB-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000491066075 332144042 /nfs/dbraw/zinc/14/40/42/332144042.db2.gz BHEAMMYPIDHROA-UHFFFAOYSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000491381524 332201180 /nfs/dbraw/zinc/20/11/80/332201180.db2.gz FXRTYGAVXVYTMK-KGLIPLIRSA-N 2 1 278.400 0.192 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000491698678 332293554 /nfs/dbraw/zinc/29/35/54/332293554.db2.gz IEZIFMMQMVGIHD-LSDHHAIUSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000491698678 332293556 /nfs/dbraw/zinc/29/35/56/332293556.db2.gz IEZIFMMQMVGIHD-LSDHHAIUSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000491698678 332293558 /nfs/dbraw/zinc/29/35/58/332293558.db2.gz IEZIFMMQMVGIHD-LSDHHAIUSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000491717195 332306609 /nfs/dbraw/zinc/30/66/09/332306609.db2.gz VRCBMORCXRIADR-KBPBESRZSA-N 2 1 280.416 0.710 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000491783879 332347344 /nfs/dbraw/zinc/34/73/44/332347344.db2.gz PTEXBRCLQNODJT-MRXNPFEDSA-N 2 1 292.427 0.727 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000194691751 333275620 /nfs/dbraw/zinc/27/56/20/333275620.db2.gz PSQIJBYJTGADTP-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(CC#N)CC2)CC1 ZINC000548915820 334180169 /nfs/dbraw/zinc/18/01/69/334180169.db2.gz VDWOWZATKXHIHC-UHFFFAOYSA-N 2 1 278.400 0.776 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000730279370 581690277 /nfs/dbraw/zinc/69/02/77/581690277.db2.gz XEGLOQMMSSSUGC-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000730279370 581690280 /nfs/dbraw/zinc/69/02/80/581690280.db2.gz XEGLOQMMSSSUGC-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCNC(=S)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732721830 581844473 /nfs/dbraw/zinc/84/44/73/581844473.db2.gz VYAYNVYZPNGBBT-GFCCVEGCSA-N 2 1 282.457 0.805 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000748434578 581975735 /nfs/dbraw/zinc/97/57/35/581975735.db2.gz GWIOSIQQVYXECW-DZGCQCFKSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000748434578 581975737 /nfs/dbraw/zinc/97/57/37/581975737.db2.gz GWIOSIQQVYXECW-DZGCQCFKSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000965063110 612954691 /nfs/dbraw/zinc/95/46/91/612954691.db2.gz JWIBISPVNDNDND-BJOWLINFSA-N 2 1 289.423 0.834 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000891921066 613073503 /nfs/dbraw/zinc/07/35/03/613073503.db2.gz IYNDEHLIRHUSFN-ZDUSSCGKSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000922630280 613076320 /nfs/dbraw/zinc/07/63/20/613076320.db2.gz OYRLISPIBVMYSA-QWHCGFSZSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000922630280 613076321 /nfs/dbraw/zinc/07/63/21/613076321.db2.gz OYRLISPIBVMYSA-QWHCGFSZSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000922630280 613076322 /nfs/dbraw/zinc/07/63/22/613076322.db2.gz OYRLISPIBVMYSA-QWHCGFSZSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CCONC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000848385814 612991903 /nfs/dbraw/zinc/99/19/03/612991903.db2.gz YEFRHBMGAMILNR-UHFFFAOYSA-N 2 1 293.411 0.864 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000847516618 612998903 /nfs/dbraw/zinc/99/89/03/612998903.db2.gz XVMOCZABPNSKBC-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000950508753 613009787 /nfs/dbraw/zinc/00/97/87/613009787.db2.gz AGUCEZCKPXXXBV-ZIAGYGMSSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000950508753 613009788 /nfs/dbraw/zinc/00/97/88/613009788.db2.gz AGUCEZCKPXXXBV-ZIAGYGMSSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000962559379 613044285 /nfs/dbraw/zinc/04/42/85/613044285.db2.gz VPGBMHGCWDUWCQ-IGQOVBAYSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962559379 613044286 /nfs/dbraw/zinc/04/42/86/613044286.db2.gz VPGBMHGCWDUWCQ-IGQOVBAYSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962559379 613044287 /nfs/dbraw/zinc/04/42/87/613044287.db2.gz VPGBMHGCWDUWCQ-IGQOVBAYSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000886353936 613074593 /nfs/dbraw/zinc/07/45/93/613074593.db2.gz SPWBPRWQOYTHKW-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969799348 613123969 /nfs/dbraw/zinc/12/39/69/613123969.db2.gz WBJUVJYXXBADAN-DZGCQCFKSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000969799348 613123970 /nfs/dbraw/zinc/12/39/70/613123970.db2.gz WBJUVJYXXBADAN-DZGCQCFKSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](CC)C[C@H]2C)CC1 ZINC000921406331 613135312 /nfs/dbraw/zinc/13/53/12/613135312.db2.gz HDGYSSOMXYZQGT-HIFRSBDPSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000981779627 613141853 /nfs/dbraw/zinc/14/18/53/613141853.db2.gz DRXZNWDCXPKZIR-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981779627 613141855 /nfs/dbraw/zinc/14/18/55/613141855.db2.gz DRXZNWDCXPKZIR-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981779627 613141857 /nfs/dbraw/zinc/14/18/57/613141857.db2.gz DRXZNWDCXPKZIR-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000884204364 613169163 /nfs/dbraw/zinc/16/91/63/613169163.db2.gz UHVXXINEHBJNNS-LSDHHAIUSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000884204364 613169166 /nfs/dbraw/zinc/16/91/66/613169166.db2.gz UHVXXINEHBJNNS-LSDHHAIUSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000884204364 613169167 /nfs/dbraw/zinc/16/91/67/613169167.db2.gz UHVXXINEHBJNNS-LSDHHAIUSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000884204364 613169169 /nfs/dbraw/zinc/16/91/69/613169169.db2.gz UHVXXINEHBJNNS-LSDHHAIUSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000884203342 613169209 /nfs/dbraw/zinc/16/92/09/613169209.db2.gz URXRHTPVLGKNBK-CYBMUJFWSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+](C)C2CC2)C1 ZINC000884203342 613169210 /nfs/dbraw/zinc/16/92/10/613169210.db2.gz URXRHTPVLGKNBK-CYBMUJFWSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)C2CC2)C1 ZINC000884203342 613169213 /nfs/dbraw/zinc/16/92/13/613169213.db2.gz URXRHTPVLGKNBK-CYBMUJFWSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)C2CC2)C1 ZINC000884203342 613169216 /nfs/dbraw/zinc/16/92/16/613169216.db2.gz URXRHTPVLGKNBK-CYBMUJFWSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000884202766 613171497 /nfs/dbraw/zinc/17/14/97/613171497.db2.gz HQVLHEXDMDXIEF-ZIAGYGMSSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000884202766 613171498 /nfs/dbraw/zinc/17/14/98/613171498.db2.gz HQVLHEXDMDXIEF-ZIAGYGMSSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CCC)[NH+](C)C)C1 ZINC000923564654 613172091 /nfs/dbraw/zinc/17/20/91/613172091.db2.gz AYBFGWSINLEKBH-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CCC)[NH+](C)C)C1 ZINC000923564654 613172092 /nfs/dbraw/zinc/17/20/92/613172092.db2.gz AYBFGWSINLEKBH-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](CC)C2CC2)C1 ZINC000923566518 613181824 /nfs/dbraw/zinc/18/18/24/613181824.db2.gz OAOVVHHKBHMHCR-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](CC)C2CC2)C1 ZINC000923566518 613181825 /nfs/dbraw/zinc/18/18/25/613181825.db2.gz OAOVVHHKBHMHCR-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](CC)C2CC2)C1 ZINC000923566518 613181828 /nfs/dbraw/zinc/18/18/28/613181828.db2.gz OAOVVHHKBHMHCR-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](CC)C2CC2)C1 ZINC000923566518 613181831 /nfs/dbraw/zinc/18/18/31/613181831.db2.gz OAOVVHHKBHMHCR-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000889041575 613187241 /nfs/dbraw/zinc/18/72/41/613187241.db2.gz IXFWGOVZMGYOAA-STQMWFEESA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000889041575 613187242 /nfs/dbraw/zinc/18/72/42/613187242.db2.gz IXFWGOVZMGYOAA-STQMWFEESA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000923568704 613189786 /nfs/dbraw/zinc/18/97/86/613189786.db2.gz JIQZXQLOQMJBCL-KBPBESRZSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000923568704 613189788 /nfs/dbraw/zinc/18/97/88/613189788.db2.gz JIQZXQLOQMJBCL-KBPBESRZSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000968954786 613196662 /nfs/dbraw/zinc/19/66/62/613196662.db2.gz QTVZNCGYXODKFW-CABCVRRESA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000968954786 613196663 /nfs/dbraw/zinc/19/66/63/613196663.db2.gz QTVZNCGYXODKFW-CABCVRRESA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948052250 613258356 /nfs/dbraw/zinc/25/83/56/613258356.db2.gz CLNDLNQRRCJENU-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC000962124560 613314002 /nfs/dbraw/zinc/31/40/02/613314002.db2.gz WVRYWHODBYKSBM-FOLVSLTJSA-N 2 1 275.396 0.398 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869778826 613366978 /nfs/dbraw/zinc/36/69/78/613366978.db2.gz PLMRGMSOOOIQAV-LBPRGKRZSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+](C)CCOC ZINC000876744262 613387939 /nfs/dbraw/zinc/38/79/39/613387939.db2.gz AXHZVUHTLOVVJX-SNVBAGLBSA-N 2 1 263.769 0.151 20 30 CCEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969699109 613530489 /nfs/dbraw/zinc/53/04/89/613530489.db2.gz IHRPAHNYSCXESN-UMVBOHGHSA-N 2 1 277.412 0.786 20 30 CCEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000969413381 613536257 /nfs/dbraw/zinc/53/62/57/613536257.db2.gz XZVZQSGEILVXAZ-JSGCOSHPSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972992478 613545429 /nfs/dbraw/zinc/54/54/29/613545429.db2.gz RSTIQSQUUXUBFW-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972992478 613545430 /nfs/dbraw/zinc/54/54/30/613545430.db2.gz RSTIQSQUUXUBFW-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992478 613545431 /nfs/dbraw/zinc/54/54/31/613545431.db2.gz RSTIQSQUUXUBFW-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992478 613545432 /nfs/dbraw/zinc/54/54/32/613545432.db2.gz RSTIQSQUUXUBFW-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980397929 613618061 /nfs/dbraw/zinc/61/80/61/613618061.db2.gz SQSRQHIBQBTRBS-QWHCGFSZSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980397929 613618065 /nfs/dbraw/zinc/61/80/65/613618065.db2.gz SQSRQHIBQBTRBS-QWHCGFSZSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980397929 613618066 /nfs/dbraw/zinc/61/80/66/613618066.db2.gz SQSRQHIBQBTRBS-QWHCGFSZSA-N 2 1 251.374 0.657 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962582222 613635530 /nfs/dbraw/zinc/63/55/30/613635530.db2.gz ZBEPTHKVBXOYKB-NHAGDIPZSA-N 2 1 272.352 0.261 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962582222 613635531 /nfs/dbraw/zinc/63/55/31/613635531.db2.gz ZBEPTHKVBXOYKB-NHAGDIPZSA-N 2 1 272.352 0.261 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900598514 613675681 /nfs/dbraw/zinc/67/56/81/613675681.db2.gz HOZHNUQGLBOMCA-HIFRSBDPSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940649627 613785289 /nfs/dbraw/zinc/78/52/89/613785289.db2.gz PRAJMABHUUFLDW-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940649627 613785291 /nfs/dbraw/zinc/78/52/91/613785291.db2.gz PRAJMABHUUFLDW-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940649627 613785294 /nfs/dbraw/zinc/78/52/94/613785294.db2.gz PRAJMABHUUFLDW-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940649627 613785295 /nfs/dbraw/zinc/78/52/95/613785295.db2.gz PRAJMABHUUFLDW-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970762294 613864722 /nfs/dbraw/zinc/86/47/22/613864722.db2.gz KAMITXARRFMERU-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970762294 613864723 /nfs/dbraw/zinc/86/47/23/613864723.db2.gz KAMITXARRFMERU-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP CC[C@H](C)[N@@H+](C)CCNC(NCCN1CCOCC1)=[NH+]C ZINC000104191546 615668140 /nfs/dbraw/zinc/66/81/40/615668140.db2.gz GUZFRYUHXMQWHU-AWEZNQCLSA-N 2 1 299.463 0.214 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000913523685 615857492 /nfs/dbraw/zinc/85/74/92/615857492.db2.gz IQKXYZZKVMRJDI-UHFFFAOYSA-N 2 1 253.390 0.646 20 30 CCEDMP CN(C)C(=[NH+]CCC[N@H+]1CCCN(C)CC1)N(C)C ZINC000104183192 616185839 /nfs/dbraw/zinc/18/58/39/616185839.db2.gz DGKVIELVJXODFD-UHFFFAOYSA-N 2 1 269.437 0.493 20 30 CCEDMP CN(C)C(=[NH+]CCCN1CCC[N@H+](C)CC1)N(C)C ZINC000104183192 616185840 /nfs/dbraw/zinc/18/58/40/616185840.db2.gz DGKVIELVJXODFD-UHFFFAOYSA-N 2 1 269.437 0.493 20 30 CCEDMP CN(C)C(=[NH+]CCCN1CCC[N@@H+](C)CC1)N(C)C ZINC000104183192 616185841 /nfs/dbraw/zinc/18/58/41/616185841.db2.gz DGKVIELVJXODFD-UHFFFAOYSA-N 2 1 269.437 0.493 20 30 CCEDMP C[N@H+]1CC[C@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@H]21 ZINC000877248494 616434555 /nfs/dbraw/zinc/43/45/55/616434555.db2.gz ACFRLGPUFYIJOF-LSDHHAIUSA-N 2 1 275.396 0.542 20 30 CCEDMP COCCCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104181935 616859345 /nfs/dbraw/zinc/85/93/45/616859345.db2.gz RNDHIXYGNGIKQG-UHFFFAOYSA-N 2 1 286.420 0.430 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001026044022 625324962 /nfs/dbraw/zinc/32/49/62/625324962.db2.gz JWJDCFKSUUINPA-BJJPWKGXSA-N 2 1 263.385 0.417 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026044022 625324964 /nfs/dbraw/zinc/32/49/64/625324964.db2.gz JWJDCFKSUUINPA-BJJPWKGXSA-N 2 1 263.385 0.417 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026044022 625324969 /nfs/dbraw/zinc/32/49/69/625324969.db2.gz JWJDCFKSUUINPA-BJJPWKGXSA-N 2 1 263.385 0.417 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001026043661 625326268 /nfs/dbraw/zinc/32/62/68/625326268.db2.gz ADKDYSBMJOYULQ-ZSAUSMIDSA-N 2 1 277.412 0.807 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026043661 625326269 /nfs/dbraw/zinc/32/62/69/625326269.db2.gz ADKDYSBMJOYULQ-ZSAUSMIDSA-N 2 1 277.412 0.807 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026043661 625326271 /nfs/dbraw/zinc/32/62/71/625326271.db2.gz ADKDYSBMJOYULQ-ZSAUSMIDSA-N 2 1 277.412 0.807 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001023274187 622973613 /nfs/dbraw/zinc/97/36/13/622973613.db2.gz UWVQQWKFLLGDBW-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023451014 623034609 /nfs/dbraw/zinc/03/46/09/623034609.db2.gz LSXPSJGQEYZPAX-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023451014 623034616 /nfs/dbraw/zinc/03/46/16/623034616.db2.gz LSXPSJGQEYZPAX-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451014 623034623 /nfs/dbraw/zinc/03/46/23/623034623.db2.gz LSXPSJGQEYZPAX-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451014 623034626 /nfs/dbraw/zinc/03/46/26/623034626.db2.gz LSXPSJGQEYZPAX-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023749908 623127190 /nfs/dbraw/zinc/12/71/90/623127190.db2.gz CMZPFTDZKDZDAR-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023749908 623127200 /nfs/dbraw/zinc/12/72/00/623127200.db2.gz CMZPFTDZKDZDAR-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023749908 623127205 /nfs/dbraw/zinc/12/72/05/623127205.db2.gz CMZPFTDZKDZDAR-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023756672 623132037 /nfs/dbraw/zinc/13/20/37/623132037.db2.gz ZEXGYSWFDUBPBY-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023756672 623132049 /nfs/dbraw/zinc/13/20/49/623132049.db2.gz ZEXGYSWFDUBPBY-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023756672 623132064 /nfs/dbraw/zinc/13/20/64/623132064.db2.gz ZEXGYSWFDUBPBY-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023756672 623132071 /nfs/dbraw/zinc/13/20/71/623132071.db2.gz ZEXGYSWFDUBPBY-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001022350722 624933152 /nfs/dbraw/zinc/93/31/52/624933152.db2.gz NTHDQBDTUCKSGI-QLFBSQMISA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680344 630849383 /nfs/dbraw/zinc/84/93/83/630849383.db2.gz DBEJZIMNPIZZDY-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680344 630849384 /nfs/dbraw/zinc/84/93/84/630849384.db2.gz DBEJZIMNPIZZDY-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680344 630849386 /nfs/dbraw/zinc/84/93/86/630849386.db2.gz DBEJZIMNPIZZDY-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001027794714 630924338 /nfs/dbraw/zinc/92/43/38/630924338.db2.gz INCXYOMLVKCLER-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027794714 630924343 /nfs/dbraw/zinc/92/43/43/630924343.db2.gz INCXYOMLVKCLER-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027794714 630924345 /nfs/dbraw/zinc/92/43/45/630924345.db2.gz INCXYOMLVKCLER-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCCO1 ZINC000261874138 631665216 /nfs/dbraw/zinc/66/52/16/631665216.db2.gz PNTPMVMUEBDPGJ-YPMHNXCESA-N 2 1 266.389 0.554 20 30 CCEDMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCSCC1 ZINC000262023902 631760793 /nfs/dbraw/zinc/76/07/93/631760793.db2.gz YVRJIBMUQRBMGZ-NSHDSACASA-N 2 1 268.430 0.834 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007352474 650075183 /nfs/dbraw/zinc/07/51/83/650075183.db2.gz ZBGQXCVXTDZOFM-JKSUJKDBSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007352474 650075186 /nfs/dbraw/zinc/07/51/86/650075186.db2.gz ZBGQXCVXTDZOFM-JKSUJKDBSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001007624259 650086831 /nfs/dbraw/zinc/08/68/31/650086831.db2.gz LMFPBQSTTCICBR-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001007624259 650086834 /nfs/dbraw/zinc/08/68/34/650086834.db2.gz LMFPBQSTTCICBR-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001007624259 650086836 /nfs/dbraw/zinc/08/68/36/650086836.db2.gz LMFPBQSTTCICBR-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007624259 650086840 /nfs/dbraw/zinc/08/68/40/650086840.db2.gz LMFPBQSTTCICBR-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007624259 650086843 /nfs/dbraw/zinc/08/68/43/650086843.db2.gz LMFPBQSTTCICBR-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC000987193204 632840720 /nfs/dbraw/zinc/84/07/20/632840720.db2.gz XSYRATPBPYUMHC-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015793368 638115322 /nfs/dbraw/zinc/11/53/22/638115322.db2.gz UEVOBKQGSFVMBT-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996619360 638824867 /nfs/dbraw/zinc/82/48/67/638824867.db2.gz ZTYGMMRWILDDLX-CHWSQXEVSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC000996640751 638826198 /nfs/dbraw/zinc/82/61/98/638826198.db2.gz BRODTBHTFBNJPY-KBPBESRZSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC000996640751 638826199 /nfs/dbraw/zinc/82/61/99/638826199.db2.gz BRODTBHTFBNJPY-KBPBESRZSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014455544 650452953 /nfs/dbraw/zinc/45/29/53/650452953.db2.gz MAHQBLMIQZKXQH-CABCVRRESA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](C)O)CC1 ZINC001003056721 639499433 /nfs/dbraw/zinc/49/94/33/639499433.db2.gz RAINYZDSXFXIPX-HIFRSBDPSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](C)O)CC1 ZINC001003056721 639499437 /nfs/dbraw/zinc/49/94/37/639499437.db2.gz RAINYZDSXFXIPX-HIFRSBDPSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004149934 639697972 /nfs/dbraw/zinc/69/79/72/639697972.db2.gz ODJJPEOLXBBRKR-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000801936852 640678440 /nfs/dbraw/zinc/67/84/40/640678440.db2.gz ZQTDQGSHXMSDJZ-XHSDSOJGSA-N 2 1 294.443 0.873 20 30 CCEDMP C[C@H](C#N)OCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000801936852 640678445 /nfs/dbraw/zinc/67/84/45/640678445.db2.gz ZQTDQGSHXMSDJZ-XHSDSOJGSA-N 2 1 294.443 0.873 20 30 CCEDMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000831971315 642423428 /nfs/dbraw/zinc/42/34/28/642423428.db2.gz VFJAXYZLGSDJAH-RYUDHWBXSA-N 2 1 252.362 0.608 20 30 CCEDMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834493197 642583553 /nfs/dbraw/zinc/58/35/53/642583553.db2.gz BPPDHFDRAKYBDR-NWDGAFQWSA-N 2 1 261.329 0.200 20 30 CCEDMP C[C@@H]1CCC[N@@H+](CCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852858697 644027699 /nfs/dbraw/zinc/02/76/99/644027699.db2.gz GFLHISRMNUWTSN-CQSZACIVSA-N 2 1 277.412 0.838 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000852860295 644028631 /nfs/dbraw/zinc/02/86/31/644028631.db2.gz OXRBTFBSDZJCRG-LSDHHAIUSA-N 2 1 275.396 0.732 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001019274615 650955153 /nfs/dbraw/zinc/95/51/53/650955153.db2.gz IFWNZPGPOYHKGD-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020179056 651046608 /nfs/dbraw/zinc/04/66/08/651046608.db2.gz MLHZKJVZWIRHCD-AJNGGQMLSA-N 2 1 293.411 0.663 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001020214621 651050165 /nfs/dbraw/zinc/05/01/65/651050165.db2.gz ZCVLVXTYTGBANQ-IHRRRGAJSA-N 2 1 263.385 0.731 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001020332910 651059590 /nfs/dbraw/zinc/05/95/90/651059590.db2.gz BOISMUJZROGAEA-XYPYZODXSA-N 2 1 278.356 0.773 20 30 CCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000884202355 647666899 /nfs/dbraw/zinc/66/68/99/647666899.db2.gz WZJVYDHIDQFMEC-WULFKBJJSA-N 2 1 288.395 0.479 20 30 CCEDMP N#Cc1ccc(NCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)nc1 ZINC000925892428 648469164 /nfs/dbraw/zinc/46/91/64/648469164.db2.gz ARXARZAYDNAHPC-UNPMEBSKSA-N 2 1 283.379 0.951 20 30 CCEDMP C#C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000934515319 649178164 /nfs/dbraw/zinc/17/81/64/649178164.db2.gz SHLKFTSQYVDYME-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP C#C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000934515319 649178166 /nfs/dbraw/zinc/17/81/66/649178166.db2.gz SHLKFTSQYVDYME-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000303408243 649819065 /nfs/dbraw/zinc/81/90/65/649819065.db2.gz TUHHXXNHAVDTTI-PWSUYJOCSA-N 2 1 254.378 0.552 20 30 CCEDMP C[C@H](CNC(=[NH2+])N1CCSCC1)CN1CC[NH+](C)CC1 ZINC000303893703 649826423 /nfs/dbraw/zinc/82/64/23/649826423.db2.gz SCLZVRILUFKXPR-CYBMUJFWSA-N 2 1 299.488 0.233 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)C(=O)OC ZINC000303976752 649827636 /nfs/dbraw/zinc/82/76/36/649827636.db2.gz KNVSCUWENXBLDV-MNOVXSKESA-N 2 1 270.377 0.184 20 30 CCEDMP C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@@H+](C)C1CC1 ZINC000303991483 649827925 /nfs/dbraw/zinc/82/79/25/649827925.db2.gz ZLYBXYFGIAGFHJ-CYBMUJFWSA-N 2 1 297.447 0.096 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001266284338 790402723 /nfs/dbraw/zinc/40/27/23/790402723.db2.gz BNGRONXZQBDMKL-VXGBXAGGSA-N 2 1 260.341 0.585 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CC=C)CC1 ZINC001039042238 790450313 /nfs/dbraw/zinc/45/03/13/790450313.db2.gz NTXGGFZRTHODRN-OAHLLOKOSA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC=C)CC1 ZINC001039042238 790450320 /nfs/dbraw/zinc/45/03/20/790450320.db2.gz NTXGGFZRTHODRN-OAHLLOKOSA-N 2 1 275.396 0.708 20 30 CCEDMP C=CC[NH+](CCO)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001098524280 790470856 /nfs/dbraw/zinc/47/08/56/790470856.db2.gz GEOGLWQXNJOJAD-UHFFFAOYSA-N 2 1 297.443 0.800 20 30 CCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001098524280 790470860 /nfs/dbraw/zinc/47/08/60/790470860.db2.gz GEOGLWQXNJOJAD-UHFFFAOYSA-N 2 1 297.443 0.800 20 30 CCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001098524280 790470864 /nfs/dbraw/zinc/47/08/64/790470864.db2.gz GEOGLWQXNJOJAD-UHFFFAOYSA-N 2 1 297.443 0.800 20 30 CCEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001266415176 790660402 /nfs/dbraw/zinc/66/04/02/790660402.db2.gz RNIBWWRVVOMRBE-GJZGRUSLSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CC1 ZINC001267132849 791578178 /nfs/dbraw/zinc/57/81/78/791578178.db2.gz TVKDQFCESKZDDD-HIFRSBDPSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CC1 ZINC001267132849 791578180 /nfs/dbraw/zinc/57/81/80/791578180.db2.gz TVKDQFCESKZDDD-HIFRSBDPSA-N 2 1 277.412 0.978 20 30 CCEDMP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001277822923 806162409 /nfs/dbraw/zinc/16/24/09/806162409.db2.gz HONDSOZQLFNXPO-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP N#Cc1ccnc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234988896 806335794 /nfs/dbraw/zinc/33/57/94/806335794.db2.gz OKKDYKAYAFFXMW-CQSZACIVSA-N 2 1 257.341 0.091 20 30 CCEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](CCCC#N)C2 ZINC001277945158 806422303 /nfs/dbraw/zinc/42/23/03/806422303.db2.gz ONXRZRSTXFOOHW-KGLIPLIRSA-N 2 1 250.390 0.858 20 30 CCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001278105839 806675382 /nfs/dbraw/zinc/67/53/82/806675382.db2.gz PTNHBHXLPABFMU-OLZOCXBDSA-N 2 1 269.389 0.114 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC001121974565 799111200 /nfs/dbraw/zinc/11/12/00/799111200.db2.gz KRANTLSCFDYGEH-ZDUSSCGKSA-N 2 1 269.389 0.509 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001122068362 799135611 /nfs/dbraw/zinc/13/56/11/799135611.db2.gz GMAJKKDXXSDBBU-CYBMUJFWSA-N 2 1 263.385 0.732 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001122068362 799135612 /nfs/dbraw/zinc/13/56/12/799135612.db2.gz GMAJKKDXXSDBBU-CYBMUJFWSA-N 2 1 263.385 0.732 20 30 CCEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001278165159 806737342 /nfs/dbraw/zinc/73/73/42/806737342.db2.gz UIVHQAIPBFCWOO-CABCVRRESA-N 2 1 295.427 0.339 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149848975 800302932 /nfs/dbraw/zinc/30/29/32/800302932.db2.gz QLOZMISAAFEVMP-LSDHHAIUSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001154012409 800703690 /nfs/dbraw/zinc/70/36/90/800703690.db2.gz DXFLCJBZGRSMLV-CHWSQXEVSA-N 2 1 253.390 0.786 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156146157 801116645 /nfs/dbraw/zinc/11/66/45/801116645.db2.gz UXDMWBJKVIMKKW-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156146157 801116651 /nfs/dbraw/zinc/11/66/51/801116651.db2.gz UXDMWBJKVIMKKW-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156145465 801117522 /nfs/dbraw/zinc/11/75/22/801117522.db2.gz LDFOOUJPLJYAQA-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156145465 801117523 /nfs/dbraw/zinc/11/75/23/801117523.db2.gz LDFOOUJPLJYAQA-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156383464 801159093 /nfs/dbraw/zinc/15/90/93/801159093.db2.gz LBULIAFJWDGUID-CYBMUJFWSA-N 2 1 271.405 0.577 20 30 CCEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC#CCOC)CC[N@H+]1C ZINC001158403312 801637295 /nfs/dbraw/zinc/63/72/95/801637295.db2.gz DQYQTDJELUVSSO-LSDHHAIUSA-N 2 1 295.427 0.462 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001159917585 801889479 /nfs/dbraw/zinc/88/94/79/801889479.db2.gz ZZYSVFCFLLXQJV-CYBMUJFWSA-N 2 1 274.368 0.880 20 30 CCEDMP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161419984 802153125 /nfs/dbraw/zinc/15/31/25/802153125.db2.gz BIOKUCKQIOZREF-GJZGRUSLSA-N 2 1 284.363 0.345 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001165764091 802863880 /nfs/dbraw/zinc/86/38/80/802863880.db2.gz LSGABIOIJSRYQG-CQSZACIVSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001166699033 802941921 /nfs/dbraw/zinc/94/19/21/802941921.db2.gz IBKRCWJLMIGGMO-CYBMUJFWSA-N 2 1 274.368 0.483 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166764652 802958298 /nfs/dbraw/zinc/95/82/98/802958298.db2.gz JLRAKMGIQQALCP-UHFFFAOYSA-N 2 1 265.401 0.838 20 30 CCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001206940506 803315111 /nfs/dbraw/zinc/31/51/11/803315111.db2.gz XHDYWRFFCFVXNX-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206940506 803315121 /nfs/dbraw/zinc/31/51/21/803315121.db2.gz XHDYWRFFCFVXNX-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001088578149 814951346 /nfs/dbraw/zinc/95/13/46/814951346.db2.gz JGMWGDDOWNSGIX-TUVASFSCSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001088578149 814951351 /nfs/dbraw/zinc/95/13/51/814951351.db2.gz JGMWGDDOWNSGIX-TUVASFSCSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001088578149 814951355 /nfs/dbraw/zinc/95/13/55/814951355.db2.gz JGMWGDDOWNSGIX-TUVASFSCSA-N 2 1 277.412 0.929 20 30 CCEDMP Cn1cnc(C#N)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263073 803643705 /nfs/dbraw/zinc/64/37/05/803643705.db2.gz QKQVUFVVQMOPKU-UHFFFAOYSA-N 2 1 283.339 0.840 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211269313 803674696 /nfs/dbraw/zinc/67/46/96/803674696.db2.gz PPBKMNJXLSBODA-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213458212 803695513 /nfs/dbraw/zinc/69/55/13/803695513.db2.gz OUZJAQTXWQOIII-HZSPNIEDSA-N 2 1 281.400 0.165 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213757462 803703517 /nfs/dbraw/zinc/70/35/17/803703517.db2.gz KOYNBQPLIXVCRI-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213757462 803703519 /nfs/dbraw/zinc/70/35/19/803703519.db2.gz KOYNBQPLIXVCRI-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213757462 803703523 /nfs/dbraw/zinc/70/35/23/803703523.db2.gz KOYNBQPLIXVCRI-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213757462 803703526 /nfs/dbraw/zinc/70/35/26/803703526.db2.gz KOYNBQPLIXVCRI-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938657 803829315 /nfs/dbraw/zinc/82/93/15/803829315.db2.gz IPEHDHMIEVOHSM-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219028071 804184299 /nfs/dbraw/zinc/18/42/99/804184299.db2.gz OEYMXOUEHPYZTH-AWEZNQCLSA-N 2 1 259.309 0.458 20 30 CCEDMP C=CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083456350 815014979 /nfs/dbraw/zinc/01/49/79/815014979.db2.gz QUDXZENZZFCBMK-MCIONIFRSA-N 2 1 281.400 0.207 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220275000 804558726 /nfs/dbraw/zinc/55/87/26/804558726.db2.gz LCEGSAVDUXSYQE-MCIONIFRSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220379610 804587273 /nfs/dbraw/zinc/58/72/73/804587273.db2.gz BNBXRCJOLRSBSS-RDBSUJKOSA-N 2 1 283.416 0.454 20 30 CCEDMP C#CCC[NH+](C)CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001272178595 815037763 /nfs/dbraw/zinc/03/77/63/815037763.db2.gz MGUXMVLNOWWNCC-UHFFFAOYSA-N 2 1 253.390 0.740 20 30 CCEDMP C#CCC[N@@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001272178595 815037767 /nfs/dbraw/zinc/03/77/67/815037767.db2.gz MGUXMVLNOWWNCC-UHFFFAOYSA-N 2 1 253.390 0.740 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001272178595 815037772 /nfs/dbraw/zinc/03/77/72/815037772.db2.gz MGUXMVLNOWWNCC-UHFFFAOYSA-N 2 1 253.390 0.740 20 30 CCEDMP N#Cc1cncc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222502381 804908150 /nfs/dbraw/zinc/90/81/50/804908150.db2.gz KMPUQPCBFOJBFA-GJZGRUSLSA-N 2 1 271.368 0.479 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001276910344 804985144 /nfs/dbraw/zinc/98/51/44/804985144.db2.gz YLJWNILJUGCUGO-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001276910344 804985147 /nfs/dbraw/zinc/98/51/47/804985147.db2.gz YLJWNILJUGCUGO-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C[N@H+]1[C@@H]2C[C@@H](OCC3CC[NH+](C)CC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224451709 805038928 /nfs/dbraw/zinc/03/89/28/805038928.db2.gz ADRQIABKEUHOPX-ABWMFPBJSA-N 2 1 266.385 0.957 20 30 CCEDMP C[N@@H+]1[C@@H]2C[C@@H](OCC3CC[NH+](C)CC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224451709 805038937 /nfs/dbraw/zinc/03/89/37/805038937.db2.gz ADRQIABKEUHOPX-ABWMFPBJSA-N 2 1 266.385 0.957 20 30 CCEDMP C=CC[NH+]1CCC(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001224856069 805086459 /nfs/dbraw/zinc/08/64/59/805086459.db2.gz ZTIXAPYLNBYCIK-UHFFFAOYSA-N 2 1 295.427 0.723 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229503871 805539092 /nfs/dbraw/zinc/53/90/92/805539092.db2.gz NZPCBBLGABIPTI-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246020399 807120022 /nfs/dbraw/zinc/12/00/22/807120022.db2.gz LBCKIMOGVSLWBG-CHWSQXEVSA-N 2 1 258.337 0.150 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001278434138 807174671 /nfs/dbraw/zinc/17/46/71/807174671.db2.gz OOSMJXAOAQOTRY-INIZCTEOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001278434138 807174675 /nfs/dbraw/zinc/17/46/75/807174675.db2.gz OOSMJXAOAQOTRY-INIZCTEOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246305379 807216621 /nfs/dbraw/zinc/21/66/21/807216621.db2.gz QRFPSJZRSCDKPU-IHRRRGAJSA-N 3 1 283.416 0.943 20 30 CCEDMP C#CCOC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001251885083 807733982 /nfs/dbraw/zinc/73/39/82/807733982.db2.gz NISSUUVMXAWRKN-ZIAGYGMSSA-N 2 1 254.374 0.319 20 30 CCEDMP C=CCOC[C@@H](O)C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001252462080 807874448 /nfs/dbraw/zinc/87/44/48/807874448.db2.gz CHRZCENBFSCVCV-ZDUSSCGKSA-N 2 1 297.399 0.680 20 30 CCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278821391 808293785 /nfs/dbraw/zinc/29/37/85/808293785.db2.gz JRVBZNHAOLQWAU-HOCLYGCPSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242754 815266815 /nfs/dbraw/zinc/26/68/15/815266815.db2.gz QJBBUOFNEUJVJC-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242754 815266818 /nfs/dbraw/zinc/26/68/18/815266818.db2.gz QJBBUOFNEUJVJC-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242754 815266822 /nfs/dbraw/zinc/26/68/22/815266822.db2.gz QJBBUOFNEUJVJC-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467561 815301553 /nfs/dbraw/zinc/30/15/53/815301553.db2.gz MXEVFEYGNMSDSA-LSDHHAIUSA-N 2 1 287.407 0.638 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001263879014 809597223 /nfs/dbraw/zinc/59/72/23/809597223.db2.gz LTYFZRZAWRECKE-JOCQHMNTSA-N 2 1 262.357 0.862 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001264157687 809634557 /nfs/dbraw/zinc/63/45/57/809634557.db2.gz OUERBVHMTPBVLL-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076572675 815310607 /nfs/dbraw/zinc/31/06/07/815310607.db2.gz DQPMCVNZAROHNU-UONOGXRCSA-N 2 1 263.385 0.801 20 30 CCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001265259922 809734217 /nfs/dbraw/zinc/73/42/17/809734217.db2.gz QCXCBYTXLNHVID-HNNXBMFYSA-N 2 1 294.443 0.391 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265289802 809748628 /nfs/dbraw/zinc/74/86/28/809748628.db2.gz CWVBHMNUJAUTMO-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265289802 809748636 /nfs/dbraw/zinc/74/86/36/809748636.db2.gz CWVBHMNUJAUTMO-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001265289802 809748642 /nfs/dbraw/zinc/74/86/42/809748642.db2.gz CWVBHMNUJAUTMO-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001265289802 809748647 /nfs/dbraw/zinc/74/86/47/809748647.db2.gz CWVBHMNUJAUTMO-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001265939894 809900340 /nfs/dbraw/zinc/90/03/40/809900340.db2.gz BLZNAMNQATZSMV-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH+](C)CCCNC(=O)C[N@H+](C)C(C)C ZINC001265978588 809910857 /nfs/dbraw/zinc/91/08/57/809910857.db2.gz RJCUFEPWSZNBLH-UHFFFAOYSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CCC[N@@H+](C)CCCNC(=O)C[NH+](C)C(C)C ZINC001265978588 809910863 /nfs/dbraw/zinc/91/08/63/809910863.db2.gz RJCUFEPWSZNBLH-UHFFFAOYSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CCC[N@H+](C)CCCNC(=O)C[NH+](C)C(C)C ZINC001265978588 809910867 /nfs/dbraw/zinc/91/08/67/809910867.db2.gz RJCUFEPWSZNBLH-UHFFFAOYSA-N 2 1 253.390 0.788 20 30 CCEDMP CC#CC[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001279256318 809973646 /nfs/dbraw/zinc/97/36/46/809973646.db2.gz PXCMFLXMOOSMDZ-UHFFFAOYSA-N 2 1 274.368 0.794 20 30 CCEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001279453066 809979576 /nfs/dbraw/zinc/97/95/76/809979576.db2.gz CNDMQTUPLJTZBV-AWEZNQCLSA-N 2 1 294.443 0.294 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001279520508 809985354 /nfs/dbraw/zinc/98/53/54/809985354.db2.gz XYXWISNCNMLVSZ-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001279520508 809985356 /nfs/dbraw/zinc/98/53/56/809985356.db2.gz XYXWISNCNMLVSZ-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001279520508 809985359 /nfs/dbraw/zinc/98/53/59/809985359.db2.gz XYXWISNCNMLVSZ-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001267380249 811248237 /nfs/dbraw/zinc/24/82/37/811248237.db2.gz SPEROTHQWNWOHD-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001100676345 811342364 /nfs/dbraw/zinc/34/23/64/811342364.db2.gz LRLUDMCXKRJNOU-NFOMZHRRSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001279746276 811633355 /nfs/dbraw/zinc/63/33/55/811633355.db2.gz KBSZWGFLIMDLMX-LSDHHAIUSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168368563 815471259 /nfs/dbraw/zinc/47/12/59/815471259.db2.gz CIGNZLGQCNPRJW-UHFFFAOYSA-N 2 1 262.357 0.701 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001268007575 811946693 /nfs/dbraw/zinc/94/66/93/811946693.db2.gz XXFFHXUHKIQALQ-CQSZACIVSA-N 2 1 281.400 0.074 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000092493509 812048743 /nfs/dbraw/zinc/04/87/43/812048743.db2.gz HHXUHFKGPBFMTI-INIZCTEOSA-N 2 1 285.391 0.990 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000092493509 812048752 /nfs/dbraw/zinc/04/87/52/812048752.db2.gz HHXUHFKGPBFMTI-INIZCTEOSA-N 2 1 285.391 0.990 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000092493508 812048850 /nfs/dbraw/zinc/04/88/50/812048850.db2.gz HHXUHFKGPBFMTI-MRXNPFEDSA-N 2 1 285.391 0.990 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000092493508 812048859 /nfs/dbraw/zinc/04/88/59/812048859.db2.gz HHXUHFKGPBFMTI-MRXNPFEDSA-N 2 1 285.391 0.990 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980379 812056742 /nfs/dbraw/zinc/05/67/42/812056742.db2.gz QBTOUDUQUPAXFT-FOLVSLTJSA-N 2 1 293.411 0.331 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980379 812056748 /nfs/dbraw/zinc/05/67/48/812056748.db2.gz QBTOUDUQUPAXFT-FOLVSLTJSA-N 2 1 293.411 0.331 20 30 CCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028312035 812611323 /nfs/dbraw/zinc/61/13/23/812611323.db2.gz AQLLWOYAZGZAHP-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028312035 812611327 /nfs/dbraw/zinc/61/13/27/812611327.db2.gz AQLLWOYAZGZAHP-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028312035 812611331 /nfs/dbraw/zinc/61/13/31/812611331.db2.gz AQLLWOYAZGZAHP-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028545897 812835547 /nfs/dbraw/zinc/83/55/47/812835547.db2.gz UQYRWTCRKBRFHW-ZFWWWQNUSA-N 2 1 277.412 0.952 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001028601178 812955639 /nfs/dbraw/zinc/95/56/39/812955639.db2.gz KQPBSMIFLFCKLD-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001028601178 812955643 /nfs/dbraw/zinc/95/56/43/812955643.db2.gz KQPBSMIFLFCKLD-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CC2)C1 ZINC001028601178 812955647 /nfs/dbraw/zinc/95/56/47/812955647.db2.gz KQPBSMIFLFCKLD-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CC2)C1 ZINC001028601178 812955653 /nfs/dbraw/zinc/95/56/53/812955653.db2.gz KQPBSMIFLFCKLD-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H](F)CC ZINC001268648700 812973896 /nfs/dbraw/zinc/97/38/96/812973896.db2.gz SREIETRWLVSQNZ-MCIONIFRSA-N 2 1 283.391 0.926 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H](F)CC ZINC001268648700 812973902 /nfs/dbraw/zinc/97/39/02/812973902.db2.gz SREIETRWLVSQNZ-MCIONIFRSA-N 2 1 283.391 0.926 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC=C ZINC001268690910 813013609 /nfs/dbraw/zinc/01/36/09/813013609.db2.gz VGAWLEFCDCHUJY-KBPBESRZSA-N 2 1 263.385 0.754 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC=C ZINC001268690910 813013617 /nfs/dbraw/zinc/01/36/17/813013617.db2.gz VGAWLEFCDCHUJY-KBPBESRZSA-N 2 1 263.385 0.754 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001268756377 813068697 /nfs/dbraw/zinc/06/86/97/813068697.db2.gz JMYXHZNNHYXIFX-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268756377 813068706 /nfs/dbraw/zinc/06/87/06/813068706.db2.gz JMYXHZNNHYXIFX-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268756377 813068713 /nfs/dbraw/zinc/06/87/13/813068713.db2.gz JMYXHZNNHYXIFX-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001270067193 813610781 /nfs/dbraw/zinc/61/07/81/813610781.db2.gz RSSMLSOIUOUMHH-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088200982 814446141 /nfs/dbraw/zinc/44/61/41/814446141.db2.gz FBIFEEDJQWTRID-CABCVRRESA-N 2 1 275.396 0.496 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127065604 815620631 /nfs/dbraw/zinc/62/06/31/815620631.db2.gz BVLIDNYLEZLQEB-AWEZNQCLSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001271929864 814632925 /nfs/dbraw/zinc/63/29/25/814632925.db2.gz FADRJHLYUNXHLX-STQMWFEESA-N 2 1 253.390 0.855 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001121938912 816489729 /nfs/dbraw/zinc/48/97/29/816489729.db2.gz YRVFJAXAGKMBQP-OLZOCXBDSA-N 2 1 291.399 0.577 20 30 CCEDMP C=CCCN1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030964312 816510846 /nfs/dbraw/zinc/51/08/46/816510846.db2.gz ULHPECPBGJFZGZ-WCQYABFASA-N 2 1 251.374 0.561 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030964312 816510850 /nfs/dbraw/zinc/51/08/50/816510850.db2.gz ULHPECPBGJFZGZ-WCQYABFASA-N 2 1 251.374 0.561 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030964312 816510851 /nfs/dbraw/zinc/51/08/51/816510851.db2.gz ULHPECPBGJFZGZ-WCQYABFASA-N 2 1 251.374 0.561 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106663109 816842563 /nfs/dbraw/zinc/84/25/63/816842563.db2.gz RQCAQCJWGWYWQB-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031665822 817229649 /nfs/dbraw/zinc/22/96/49/817229649.db2.gz IOJJDGYLZYADHT-OAHLLOKOSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665822 817229656 /nfs/dbraw/zinc/22/96/56/817229656.db2.gz IOJJDGYLZYADHT-OAHLLOKOSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1cnc[nH]1 ZINC001089868509 817574125 /nfs/dbraw/zinc/57/41/25/817574125.db2.gz CTDRAHGIVTXEHG-HNKHHVNMSA-N 2 1 298.390 0.754 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033666354 818874813 /nfs/dbraw/zinc/87/48/13/818874813.db2.gz VZKJJCWDZNUMEN-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033666354 818874820 /nfs/dbraw/zinc/87/48/20/818874820.db2.gz VZKJJCWDZNUMEN-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033660592 818882679 /nfs/dbraw/zinc/88/26/79/818882679.db2.gz IVHARCJWWDSDTA-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033660592 818882681 /nfs/dbraw/zinc/88/26/81/818882681.db2.gz IVHARCJWWDSDTA-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033660592 818882687 /nfs/dbraw/zinc/88/26/87/818882687.db2.gz IVHARCJWWDSDTA-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034207688 819124695 /nfs/dbraw/zinc/12/46/95/819124695.db2.gz NOWQYNCKQMFXJP-JKSUJKDBSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001036292792 819719822 /nfs/dbraw/zinc/71/98/22/819719822.db2.gz FUAVKLTYZGEEFF-OCCSQVGLSA-N 2 1 274.368 0.651 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079726094 820459981 /nfs/dbraw/zinc/45/99/81/820459981.db2.gz BAIFLPJYOQDJFB-AAVRWANBSA-N 2 1 265.401 0.949 20 30 CCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001080976928 820661790 /nfs/dbraw/zinc/66/17/90/820661790.db2.gz OYYWVRMGGZKIIB-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001080976928 820661796 /nfs/dbraw/zinc/66/17/96/820661796.db2.gz OYYWVRMGGZKIIB-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001080976928 820661801 /nfs/dbraw/zinc/66/18/01/820661801.db2.gz OYYWVRMGGZKIIB-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001080976928 820661806 /nfs/dbraw/zinc/66/18/06/820661806.db2.gz OYYWVRMGGZKIIB-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP CC#CCN1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082134075 820906595 /nfs/dbraw/zinc/90/65/95/820906595.db2.gz ZILGMJKPGOQNKE-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CCN1C[C@@H](NC(=O)CN2CCC[C@H]2C)[C@H](OC)C1 ZINC001082134075 820906600 /nfs/dbraw/zinc/90/66/00/820906600.db2.gz ZILGMJKPGOQNKE-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082202129 820916908 /nfs/dbraw/zinc/91/69/08/820916908.db2.gz HXOKYHOASNCNDF-HUUCEWRRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082202129 820916917 /nfs/dbraw/zinc/91/69/17/820916917.db2.gz HXOKYHOASNCNDF-HUUCEWRRSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001082558956 820999664 /nfs/dbraw/zinc/99/96/64/820999664.db2.gz NIURFFSHBONAIQ-MCIONIFRSA-N 2 1 286.379 0.830 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001082558957 820999894 /nfs/dbraw/zinc/99/98/94/820999894.db2.gz NIURFFSHBONAIQ-MGPQQGTHSA-N 2 1 286.379 0.830 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393969 821094254 /nfs/dbraw/zinc/09/42/54/821094254.db2.gz SAQPKYOLOLIINC-ZIAGYGMSSA-N 2 1 293.411 0.352 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084252334 821241607 /nfs/dbraw/zinc/24/16/07/821241607.db2.gz URSJQYGVLYCFRQ-RBSFLKMASA-N 2 1 293.411 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084252334 821241616 /nfs/dbraw/zinc/24/16/16/821241616.db2.gz URSJQYGVLYCFRQ-RBSFLKMASA-N 2 1 293.411 0.426 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084252334 821241623 /nfs/dbraw/zinc/24/16/23/821241623.db2.gz URSJQYGVLYCFRQ-RBSFLKMASA-N 2 1 293.411 0.426 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084252334 821241632 /nfs/dbraw/zinc/24/16/32/821241632.db2.gz URSJQYGVLYCFRQ-RBSFLKMASA-N 2 1 293.411 0.426 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084775394 821387173 /nfs/dbraw/zinc/38/71/73/821387173.db2.gz FBEMEGLQDJVNNB-BZUAXINKSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084775394 821387184 /nfs/dbraw/zinc/38/71/84/821387184.db2.gz FBEMEGLQDJVNNB-BZUAXINKSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084775394 821387194 /nfs/dbraw/zinc/38/71/94/821387194.db2.gz FBEMEGLQDJVNNB-BZUAXINKSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085242384 821636666 /nfs/dbraw/zinc/63/66/66/821636666.db2.gz PEFDWFYPJQBHFY-KBUPBQIOSA-N 2 1 293.411 0.356 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085242384 821636669 /nfs/dbraw/zinc/63/66/69/821636669.db2.gz PEFDWFYPJQBHFY-KBUPBQIOSA-N 2 1 293.411 0.356 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598984 821842739 /nfs/dbraw/zinc/84/27/39/821842739.db2.gz FMKVSSVGBWNJBI-HUUCEWRRSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598984 821842744 /nfs/dbraw/zinc/84/27/44/821842744.db2.gz FMKVSSVGBWNJBI-HUUCEWRRSA-N 2 1 275.396 0.494 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968240 822043360 /nfs/dbraw/zinc/04/33/60/822043360.db2.gz FOQLTSADTOYWHI-CHWSQXEVSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968240 822043369 /nfs/dbraw/zinc/04/33/69/822043369.db2.gz FOQLTSADTOYWHI-CHWSQXEVSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085968240 822043378 /nfs/dbraw/zinc/04/33/78/822043378.db2.gz FOQLTSADTOYWHI-CHWSQXEVSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085968240 822043385 /nfs/dbraw/zinc/04/33/85/822043385.db2.gz FOQLTSADTOYWHI-CHWSQXEVSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100079038 822245983 /nfs/dbraw/zinc/24/59/83/822245983.db2.gz SLDLGXJTEKVFHJ-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100079038 822245993 /nfs/dbraw/zinc/24/59/93/822245993.db2.gz SLDLGXJTEKVFHJ-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100079038 822246000 /nfs/dbraw/zinc/24/60/00/822246000.db2.gz SLDLGXJTEKVFHJ-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCOCC ZINC001129771216 837558605 /nfs/dbraw/zinc/55/86/05/837558605.db2.gz UCLFFJKVRPBWAV-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCOCC ZINC001129771216 837558612 /nfs/dbraw/zinc/55/86/12/837558612.db2.gz UCLFFJKVRPBWAV-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCC(C)C ZINC001129770856 837559438 /nfs/dbraw/zinc/55/94/38/837559438.db2.gz LXEAVMVNOPUKCC-HNNXBMFYSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCC(C)C ZINC001129770856 837559448 /nfs/dbraw/zinc/55/94/48/837559448.db2.gz LXEAVMVNOPUKCC-HNNXBMFYSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108792620 836527781 /nfs/dbraw/zinc/52/77/81/836527781.db2.gz XCHXWWAKUGQJDU-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364537 836528469 /nfs/dbraw/zinc/52/84/69/836528469.db2.gz WNLLVINLRNSUOE-OAHLLOKOSA-N 2 1 295.427 0.912 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132277 836728032 /nfs/dbraw/zinc/72/80/32/836728032.db2.gz RFYJXFLTWAIAPP-HUUCEWRRSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132277 836728039 /nfs/dbraw/zinc/72/80/39/836728039.db2.gz RFYJXFLTWAIAPP-HUUCEWRRSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132277 836728044 /nfs/dbraw/zinc/72/80/44/836728044.db2.gz RFYJXFLTWAIAPP-HUUCEWRRSA-N 2 1 297.443 0.844 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184299960 844198036 /nfs/dbraw/zinc/19/80/36/844198036.db2.gz CTJDNBXEJXNBAG-CQSZACIVSA-N 2 1 290.367 0.032 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681438 838172856 /nfs/dbraw/zinc/17/28/56/838172856.db2.gz BPTLJQXLKSCWHK-GOEBONIOSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681440 838173174 /nfs/dbraw/zinc/17/31/74/838173174.db2.gz BPTLJQXLKSCWHK-ZBFHGGJFSA-N 2 1 293.411 0.263 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848329 838505838 /nfs/dbraw/zinc/50/58/38/838505838.db2.gz FBSOGBYYOGPOLV-CQSZACIVSA-N 2 1 299.415 0.004 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134763299 839065134 /nfs/dbraw/zinc/06/51/34/839065134.db2.gz UFWPZPZVZCKGTK-OAHLLOKOSA-N 2 1 295.427 0.605 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134766391 839066640 /nfs/dbraw/zinc/06/66/40/839066640.db2.gz GYTWEJGRLVPUMH-CQSZACIVSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001086734392 839256581 /nfs/dbraw/zinc/25/65/81/839256581.db2.gz FWPOQDIYVZTQLB-RRFJBIMHSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135676023 839352510 /nfs/dbraw/zinc/35/25/10/839352510.db2.gz ORYMANUEBXXMFL-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP C=C(CO)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC001136542162 839653847 /nfs/dbraw/zinc/65/38/47/839653847.db2.gz YYFJMYYHMBDULA-AWEZNQCLSA-N 2 1 283.416 0.409 20 30 CCEDMP C=CCOC1CCC([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246304937 839779814 /nfs/dbraw/zinc/77/98/14/839779814.db2.gz IWJZNBMFHRYRIK-RYSNWHEDSA-N 2 1 254.374 0.670 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090817911 839832053 /nfs/dbraw/zinc/83/20/53/839832053.db2.gz UBIJGWYTTNGXMI-UONOGXRCSA-N 2 1 281.400 0.210 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]C(C)C)C1 ZINC001091075869 840035572 /nfs/dbraw/zinc/03/55/72/840035572.db2.gz DTVRKNSDFNFBOK-NRXISQOPSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]C(C)C)C1 ZINC001091075869 840035584 /nfs/dbraw/zinc/03/55/84/840035584.db2.gz DTVRKNSDFNFBOK-NRXISQOPSA-N 2 1 277.412 0.977 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001186363101 844542108 /nfs/dbraw/zinc/54/21/08/844542108.db2.gz ULEJMEGFMGXXKY-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001148651943 840865731 /nfs/dbraw/zinc/86/57/31/840865731.db2.gz RZZZVWJCOFJODR-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148651943 840865735 /nfs/dbraw/zinc/86/57/35/840865735.db2.gz RZZZVWJCOFJODR-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148651943 840865745 /nfs/dbraw/zinc/86/57/45/840865745.db2.gz RZZZVWJCOFJODR-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC)C[C@@]2(C)C1 ZINC001091749208 840891664 /nfs/dbraw/zinc/89/16/64/840891664.db2.gz FCKFQINWGSNMHD-VYDXJSESSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC)C[C@@]2(C)C1 ZINC001091749208 840891673 /nfs/dbraw/zinc/89/16/73/840891673.db2.gz FCKFQINWGSNMHD-VYDXJSESSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC)C[C@@]2(C)C1 ZINC001091749208 840891684 /nfs/dbraw/zinc/89/16/84/840891684.db2.gz FCKFQINWGSNMHD-VYDXJSESSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC)C[C@@]2(C)C1 ZINC001091749208 840891692 /nfs/dbraw/zinc/89/16/92/840891692.db2.gz FCKFQINWGSNMHD-VYDXJSESSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092012002 840987082 /nfs/dbraw/zinc/98/70/82/840987082.db2.gz LJAFXEPMFZCLQF-INMHGKMJSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092012002 840987092 /nfs/dbraw/zinc/98/70/92/840987092.db2.gz LJAFXEPMFZCLQF-INMHGKMJSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092012002 840987099 /nfs/dbraw/zinc/98/70/99/840987099.db2.gz LJAFXEPMFZCLQF-INMHGKMJSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523661 841033604 /nfs/dbraw/zinc/03/36/04/841033604.db2.gz LSVXWWOQPFLEJF-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523661 841033610 /nfs/dbraw/zinc/03/36/10/841033610.db2.gz LSVXWWOQPFLEJF-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523661 841033615 /nfs/dbraw/zinc/03/36/15/841033615.db2.gz LSVXWWOQPFLEJF-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523661 841033622 /nfs/dbraw/zinc/03/36/22/841033622.db2.gz LSVXWWOQPFLEJF-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186824865 844606149 /nfs/dbraw/zinc/60/61/49/844606149.db2.gz OYAFQVFPZUCDDV-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203337834 841793499 /nfs/dbraw/zinc/79/34/99/841793499.db2.gz WJCCBFGHCLKKQF-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001150333770 842171504 /nfs/dbraw/zinc/17/15/04/842171504.db2.gz PGUNLLOPVMUEGO-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001150333770 842171507 /nfs/dbraw/zinc/17/15/07/842171507.db2.gz PGUNLLOPVMUEGO-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150333770 842171513 /nfs/dbraw/zinc/17/15/13/842171513.db2.gz PGUNLLOPVMUEGO-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150333770 842171517 /nfs/dbraw/zinc/17/15/17/842171517.db2.gz PGUNLLOPVMUEGO-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072176 842307511 /nfs/dbraw/zinc/30/75/11/842307511.db2.gz MOWFLOKQJJDHAY-LLVKDONJSA-N 2 1 259.781 0.787 20 30 CCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176636210 842394306 /nfs/dbraw/zinc/39/43/06/842394306.db2.gz LXABRNCZHKYJJI-LBPRGKRZSA-N 2 1 289.807 0.556 20 30 CCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176636210 842394318 /nfs/dbraw/zinc/39/43/18/842394318.db2.gz LXABRNCZHKYJJI-LBPRGKRZSA-N 2 1 289.807 0.556 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982533 842954796 /nfs/dbraw/zinc/95/47/96/842954796.db2.gz ODDVHPDHSZASBR-CBBWQLFWSA-N 2 1 293.411 0.308 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982533 842954799 /nfs/dbraw/zinc/95/47/99/842954799.db2.gz ODDVHPDHSZASBR-CBBWQLFWSA-N 2 1 293.411 0.308 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189400931 845131039 /nfs/dbraw/zinc/13/10/39/845131039.db2.gz QONNSNJGQRZZCM-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189400931 845131045 /nfs/dbraw/zinc/13/10/45/845131045.db2.gz QONNSNJGQRZZCM-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189400931 845131049 /nfs/dbraw/zinc/13/10/49/845131049.db2.gz QONNSNJGQRZZCM-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001189907017 845263487 /nfs/dbraw/zinc/26/34/87/845263487.db2.gz POHYVLFOFBKLEP-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189907017 845263499 /nfs/dbraw/zinc/26/34/99/845263499.db2.gz POHYVLFOFBKLEP-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189907017 845263509 /nfs/dbraw/zinc/26/35/09/845263509.db2.gz POHYVLFOFBKLEP-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190444263 845400143 /nfs/dbraw/zinc/40/01/43/845400143.db2.gz QARLMQVSRSFJCV-KBPBESRZSA-N 2 1 283.391 0.832 20 30 CCEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001195267146 846486845 /nfs/dbraw/zinc/48/68/45/846486845.db2.gz FFNGGPCRQCMIHC-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001195267146 846486847 /nfs/dbraw/zinc/48/68/47/846486847.db2.gz FFNGGPCRQCMIHC-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195973253 846656745 /nfs/dbraw/zinc/65/67/45/846656745.db2.gz SLVHGIPFBHGEGU-MGPQQGTHSA-N 2 1 283.416 0.310 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198038058 847036412 /nfs/dbraw/zinc/03/64/12/847036412.db2.gz INTVOQYQENSQAB-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198038058 847036418 /nfs/dbraw/zinc/03/64/18/847036418.db2.gz INTVOQYQENSQAB-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001198038058 847036405 /nfs/dbraw/zinc/03/64/05/847036405.db2.gz INTVOQYQENSQAB-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198673009 847150937 /nfs/dbraw/zinc/15/09/37/847150937.db2.gz WNAGHEFSGXMMSD-ZIAGYGMSSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198673009 847150940 /nfs/dbraw/zinc/15/09/40/847150940.db2.gz WNAGHEFSGXMMSD-ZIAGYGMSSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056815 847851547 /nfs/dbraw/zinc/85/15/47/847851547.db2.gz BWEOZOIFBQMAPK-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056812 847851840 /nfs/dbraw/zinc/85/18/40/847851840.db2.gz BWEOZOIFBQMAPK-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001275405941 848711067 /nfs/dbraw/zinc/71/10/67/848711067.db2.gz ILBJSAOSZGDCLS-STQMWFEESA-N 2 1 253.390 0.999 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038264013 849834768 /nfs/dbraw/zinc/83/47/68/849834768.db2.gz UFGJHBIIJYPZHL-HUUCEWRRSA-N 2 1 275.396 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038264013 849834773 /nfs/dbraw/zinc/83/47/73/849834773.db2.gz UFGJHBIIJYPZHL-HUUCEWRRSA-N 2 1 275.396 0.542 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038921106 850085117 /nfs/dbraw/zinc/08/51/17/850085117.db2.gz QDQRDTAZHMAVQX-CYBMUJFWSA-N 2 1 263.385 0.849 20 30 CCEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041832425 850509608 /nfs/dbraw/zinc/50/96/08/850509608.db2.gz YHEFALGQGPCYSD-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041832425 850509612 /nfs/dbraw/zinc/50/96/12/850509612.db2.gz YHEFALGQGPCYSD-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041832425 850509616 /nfs/dbraw/zinc/50/96/16/850509616.db2.gz YHEFALGQGPCYSD-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044290215 851061968 /nfs/dbraw/zinc/06/19/68/851061968.db2.gz MTJQABYZMWXOGA-GFCCVEGCSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044290215 851061971 /nfs/dbraw/zinc/06/19/71/851061971.db2.gz MTJQABYZMWXOGA-GFCCVEGCSA-N 2 1 251.374 0.657 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001044782746 851156755 /nfs/dbraw/zinc/15/67/55/851156755.db2.gz ZXKBDBCFPVKTTQ-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587181 851557402 /nfs/dbraw/zinc/55/74/02/851557402.db2.gz AZYAYJHPOSYGSN-INIZCTEOSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046833257 851625981 /nfs/dbraw/zinc/62/59/81/851625981.db2.gz DXNMQWPHXQZFJV-TZMCWYRMSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046833257 851625988 /nfs/dbraw/zinc/62/59/88/851625988.db2.gz DXNMQWPHXQZFJV-TZMCWYRMSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046833257 851625997 /nfs/dbraw/zinc/62/59/97/851625997.db2.gz DXNMQWPHXQZFJV-TZMCWYRMSA-N 2 1 251.374 0.705 20 30 CCEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001096539956 852294223 /nfs/dbraw/zinc/29/42/23/852294223.db2.gz DDHQVGRSSXDZHY-KBXIAJHMSA-N 2 1 275.396 0.683 20 30 CCEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001096539956 852294231 /nfs/dbraw/zinc/29/42/31/852294231.db2.gz DDHQVGRSSXDZHY-KBXIAJHMSA-N 2 1 275.396 0.683 20 30 CCEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096539956 852294238 /nfs/dbraw/zinc/29/42/38/852294238.db2.gz DDHQVGRSSXDZHY-KBXIAJHMSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC)CCCO1 ZINC001073640133 854623006 /nfs/dbraw/zinc/62/30/06/854623006.db2.gz WXMFEWSFVBUZTQ-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC)CCCO1 ZINC001073640133 854623015 /nfs/dbraw/zinc/62/30/15/854623015.db2.gz WXMFEWSFVBUZTQ-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC)CCCO1 ZINC001073640133 854623026 /nfs/dbraw/zinc/62/30/26/854623026.db2.gz WXMFEWSFVBUZTQ-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC)CCCO1 ZINC001073640133 854623036 /nfs/dbraw/zinc/62/30/36/854623036.db2.gz WXMFEWSFVBUZTQ-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001074829791 854790424 /nfs/dbraw/zinc/79/04/24/854790424.db2.gz PPZRMACOYPMSNW-KKUMJFAQSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001074829791 854790426 /nfs/dbraw/zinc/79/04/26/854790426.db2.gz PPZRMACOYPMSNW-KKUMJFAQSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100083341 855097363 /nfs/dbraw/zinc/09/73/63/855097363.db2.gz QKSSXFLEBUATNL-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100083341 855097367 /nfs/dbraw/zinc/09/73/67/855097367.db2.gz QKSSXFLEBUATNL-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100083341 855097373 /nfs/dbraw/zinc/09/73/73/855097373.db2.gz QKSSXFLEBUATNL-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001101008670 855253607 /nfs/dbraw/zinc/25/36/07/855253607.db2.gz PFVRUEICJDSHSX-YMAMQOFZSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001101008670 855253613 /nfs/dbraw/zinc/25/36/13/855253613.db2.gz PFVRUEICJDSHSX-YMAMQOFZSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514515 855443012 /nfs/dbraw/zinc/44/30/12/855443012.db2.gz ZVRBTPPBBVTEKS-QLFBSQMISA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514515 855443015 /nfs/dbraw/zinc/44/30/15/855443015.db2.gz ZVRBTPPBBVTEKS-QLFBSQMISA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514515 855443016 /nfs/dbraw/zinc/44/30/16/855443016.db2.gz ZVRBTPPBBVTEKS-QLFBSQMISA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103718853 855527169 /nfs/dbraw/zinc/52/71/69/855527169.db2.gz HOZLJVAUHQCYIE-KFWWJZLASA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103718853 855527171 /nfs/dbraw/zinc/52/71/71/855527171.db2.gz HOZLJVAUHQCYIE-KFWWJZLASA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103718853 855527175 /nfs/dbraw/zinc/52/71/75/855527175.db2.gz HOZLJVAUHQCYIE-KFWWJZLASA-N 2 1 277.412 0.646 20 30 CCEDMP C=CCO[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001119309399 856625847 /nfs/dbraw/zinc/62/58/47/856625847.db2.gz WPBCBNZVIAJXLP-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCO[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001119309399 856625850 /nfs/dbraw/zinc/62/58/50/856625850.db2.gz WPBCBNZVIAJXLP-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001323339188 912280352 /nfs/dbraw/zinc/28/03/52/912280352.db2.gz FGJVRUGYSSMUDC-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001323339188 912280366 /nfs/dbraw/zinc/28/03/66/912280366.db2.gz FGJVRUGYSSMUDC-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001323339188 912280386 /nfs/dbraw/zinc/28/03/86/912280386.db2.gz FGJVRUGYSSMUDC-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001323339188 912280403 /nfs/dbraw/zinc/28/04/03/912280403.db2.gz FGJVRUGYSSMUDC-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001323410755 912327754 /nfs/dbraw/zinc/32/77/54/912327754.db2.gz BORGZOOOJZIKSC-LBPRGKRZSA-N 2 1 267.373 0.132 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001323410755 912327772 /nfs/dbraw/zinc/32/77/72/912327772.db2.gz BORGZOOOJZIKSC-LBPRGKRZSA-N 2 1 267.373 0.132 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001324262285 912747839 /nfs/dbraw/zinc/74/78/39/912747839.db2.gz WSZSDIQYIYNCBZ-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001325101507 913212870 /nfs/dbraw/zinc/21/28/70/913212870.db2.gz HAFZBQIZROZGBJ-AWEZNQCLSA-N 2 1 278.356 0.081 20 30 CCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)CCc2cnc[nH]2)C1 ZINC001325101507 913212888 /nfs/dbraw/zinc/21/28/88/913212888.db2.gz HAFZBQIZROZGBJ-AWEZNQCLSA-N 2 1 278.356 0.081 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001325123486 913228812 /nfs/dbraw/zinc/22/88/12/913228812.db2.gz OZXGIBRHMQFVGG-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C=CCO[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC001325226983 913290794 /nfs/dbraw/zinc/29/07/94/913290794.db2.gz BEYPFKUQZBDJPS-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCO[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC001325226983 913290804 /nfs/dbraw/zinc/29/08/04/913290804.db2.gz BEYPFKUQZBDJPS-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480865434 891430348 /nfs/dbraw/zinc/43/03/48/891430348.db2.gz GUWRJASRSPHFKA-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480865434 891430355 /nfs/dbraw/zinc/43/03/55/891430355.db2.gz GUWRJASRSPHFKA-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480865434 891430363 /nfs/dbraw/zinc/43/03/63/891430363.db2.gz GUWRJASRSPHFKA-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001419173994 891931529 /nfs/dbraw/zinc/93/15/29/891931529.db2.gz HDZDEBFKKLAZSM-VXGBXAGGSA-N 2 1 289.807 0.554 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001419173994 891931541 /nfs/dbraw/zinc/93/15/41/891931541.db2.gz HDZDEBFKKLAZSM-VXGBXAGGSA-N 2 1 289.807 0.554 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001325865137 913615579 /nfs/dbraw/zinc/61/55/79/913615579.db2.gz MAIWPLBWLNZUBP-GOEBONIOSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001496232294 892022508 /nfs/dbraw/zinc/02/25/08/892022508.db2.gz HJEYWTYKKDGUQO-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001496232294 892022522 /nfs/dbraw/zinc/02/25/22/892022522.db2.gz HJEYWTYKKDGUQO-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCC[N@@H+](CC)CCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001481019456 892062363 /nfs/dbraw/zinc/06/23/63/892062363.db2.gz SSYUHOBCIPFPOP-UHFFFAOYSA-N 2 1 289.423 0.793 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001481048865 892114308 /nfs/dbraw/zinc/11/43/08/892114308.db2.gz GCINRNLAYZNWSY-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001481048865 892114321 /nfs/dbraw/zinc/11/43/21/892114321.db2.gz GCINRNLAYZNWSY-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001481143777 892222525 /nfs/dbraw/zinc/22/25/25/892222525.db2.gz LQXUMZUNJLUCBO-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001481143777 892222506 /nfs/dbraw/zinc/22/25/06/892222506.db2.gz LQXUMZUNJLUCBO-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001481143777 892222489 /nfs/dbraw/zinc/22/24/89/892222489.db2.gz LQXUMZUNJLUCBO-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C[NH+](C)CC#CCNC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001353299898 892348280 /nfs/dbraw/zinc/34/82/80/892348280.db2.gz JHLGCJGQSZKZBC-QGZVFWFLSA-N 2 1 289.423 0.634 20 30 CCEDMP CN(Cc1ccccc1)C[C@H](O)C[NH2+]CC#CC[NH+](C)C ZINC001353299898 892348301 /nfs/dbraw/zinc/34/83/01/892348301.db2.gz JHLGCJGQSZKZBC-QGZVFWFLSA-N 2 1 289.423 0.634 20 30 CCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001326044541 913717626 /nfs/dbraw/zinc/71/76/26/913717626.db2.gz FTSYUHYWRHKSPJ-AWEZNQCLSA-N 2 1 283.416 0.457 20 30 CCEDMP C=C(C)CN1CC(CNC(=O)Cc2cncn2C)C1 ZINC001481655303 892972582 /nfs/dbraw/zinc/97/25/82/892972582.db2.gz WIDDQYKFRCPHKB-UHFFFAOYSA-N 2 1 262.357 0.587 20 30 CCEDMP C#CC[N@@H+](CCC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317546346 893481032 /nfs/dbraw/zinc/48/10/32/893481032.db2.gz CTQHQWRZBGHCNH-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317546346 893481046 /nfs/dbraw/zinc/48/10/46/893481046.db2.gz CTQHQWRZBGHCNH-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317546346 893481061 /nfs/dbraw/zinc/48/10/61/893481061.db2.gz CTQHQWRZBGHCNH-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC1 ZINC001268799307 893499083 /nfs/dbraw/zinc/49/90/83/893499083.db2.gz XLBYUWJFXOKZNC-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC1 ZINC001268799307 893499092 /nfs/dbraw/zinc/49/90/92/893499092.db2.gz XLBYUWJFXOKZNC-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001500358560 893785135 /nfs/dbraw/zinc/78/51/35/893785135.db2.gz UKWGZVSTYBDMNA-HOCLYGCPSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001482433539 893978916 /nfs/dbraw/zinc/97/89/16/893978916.db2.gz KUJZZQRWHYZPLH-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001482737396 894555968 /nfs/dbraw/zinc/55/59/68/894555968.db2.gz LTKINIRPKMRWMT-HUUCEWRRSA-N 2 1 293.411 0.093 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)CCc1cnc[nH]1 ZINC001483135322 895009475 /nfs/dbraw/zinc/00/94/75/895009475.db2.gz YWNYRJJOVLTKBD-GFCCVEGCSA-N 2 1 278.356 0.086 20 30 CCEDMP CC#CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483597907 895672870 /nfs/dbraw/zinc/67/28/70/895672870.db2.gz DLJRPMRBIMDGAG-UKRRQHHQSA-N 2 1 277.412 0.836 20 30 CCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001484246267 896276851 /nfs/dbraw/zinc/27/68/51/896276851.db2.gz HTNKYSHEQNXUOL-UKRRQHHQSA-N 2 1 281.400 0.067 20 30 CCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484437687 896407886 /nfs/dbraw/zinc/40/78/86/896407886.db2.gz IJNHOAOUNXWBDQ-MRXNPFEDSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001484437687 896407892 /nfs/dbraw/zinc/40/78/92/896407892.db2.gz IJNHOAOUNXWBDQ-MRXNPFEDSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001484437687 896407898 /nfs/dbraw/zinc/40/78/98/896407898.db2.gz IJNHOAOUNXWBDQ-MRXNPFEDSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001484437687 896407902 /nfs/dbraw/zinc/40/79/02/896407902.db2.gz IJNHOAOUNXWBDQ-MRXNPFEDSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001493569430 896768617 /nfs/dbraw/zinc/76/86/17/896768617.db2.gz JRESTVCUYPTWRL-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001485619135 897145507 /nfs/dbraw/zinc/14/55/07/897145507.db2.gz MMJHOXHZXWJMDK-FPCVCCKLSA-N 2 1 289.423 0.646 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001485619135 897145511 /nfs/dbraw/zinc/14/55/11/897145511.db2.gz MMJHOXHZXWJMDK-FPCVCCKLSA-N 2 1 289.423 0.646 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001485619135 897145518 /nfs/dbraw/zinc/14/55/18/897145518.db2.gz MMJHOXHZXWJMDK-FPCVCCKLSA-N 2 1 289.423 0.646 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC ZINC001032453428 897588660 /nfs/dbraw/zinc/58/86/60/897588660.db2.gz ABSCYSHOMXZHLD-KKUMJFAQSA-N 2 1 291.395 0.016 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC ZINC001032453428 897588666 /nfs/dbraw/zinc/58/86/66/897588666.db2.gz ABSCYSHOMXZHLD-KKUMJFAQSA-N 2 1 291.395 0.016 20 30 CCEDMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485834549 898056282 /nfs/dbraw/zinc/05/62/82/898056282.db2.gz QBSPNKQVKPXYBZ-KBPBESRZSA-N 2 1 265.401 0.951 20 30 CCEDMP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001485854795 898462631 /nfs/dbraw/zinc/46/26/31/898462631.db2.gz GYNVHLYXHIKCMY-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CC[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001486035310 898622599 /nfs/dbraw/zinc/62/25/99/898622599.db2.gz ZRCGFSJJNUWEQX-GFCCVEGCSA-N 2 1 271.405 0.217 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486316546 898777170 /nfs/dbraw/zinc/77/71/70/898777170.db2.gz DCXWTZYJDIAADI-NEPJUHHUSA-N 2 1 289.807 0.100 20 30 CCEDMP C#CCC[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001486484438 898897127 /nfs/dbraw/zinc/89/71/27/898897127.db2.gz WSYROXCEPWVBED-UHFFFAOYSA-N 2 1 274.368 0.794 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N(C)C1CC([NH2+]CC#CCOC)C1 ZINC001486480164 898897701 /nfs/dbraw/zinc/89/77/01/898897701.db2.gz OVBWMAFKAOGNIM-UHFFFAOYSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176565676 899976443 /nfs/dbraw/zinc/97/64/43/899976443.db2.gz WWWJDKAQSOADSW-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCN1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001197000340 900059461 /nfs/dbraw/zinc/05/94/61/900059461.db2.gz DWSXPSZVPYAJPW-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001197000340 900059471 /nfs/dbraw/zinc/05/94/71/900059471.db2.gz DWSXPSZVPYAJPW-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001197000340 900059481 /nfs/dbraw/zinc/05/94/81/900059481.db2.gz DWSXPSZVPYAJPW-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197000340 900059502 /nfs/dbraw/zinc/05/95/02/900059502.db2.gz DWSXPSZVPYAJPW-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001488790681 900391251 /nfs/dbraw/zinc/39/12/51/900391251.db2.gz YHGMUUKIZBVZCY-MCIONIFRSA-N 2 1 265.401 0.999 20 30 CCEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001489169283 900434948 /nfs/dbraw/zinc/43/49/48/900434948.db2.gz RDYWBQPVYOSGHQ-HNNXBMFYSA-N 2 1 295.427 0.247 20 30 CCEDMP C#CC[NH2+]CC1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001275305741 901020854 /nfs/dbraw/zinc/02/08/54/901020854.db2.gz YBMGMWZTEKCEIM-UHFFFAOYSA-N 2 1 251.374 0.446 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064255 903832652 /nfs/dbraw/zinc/83/26/52/903832652.db2.gz LOQMGGJDCPOPIG-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001316617500 904420099 /nfs/dbraw/zinc/42/00/99/904420099.db2.gz JMSLOEMXBYKWPV-ZNMIVQPWSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH2+]CCOCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001284876247 905452832 /nfs/dbraw/zinc/45/28/32/905452832.db2.gz QXGOBGOPYNQFNZ-CQSZACIVSA-N 2 1 281.400 0.026 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001382392791 907720093 /nfs/dbraw/zinc/72/00/93/907720093.db2.gz VTLSXVNQWXJPCT-NEPJUHHUSA-N 2 1 289.807 0.242 20 30 CCEDMP C#CCC[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317478058 908465119 /nfs/dbraw/zinc/46/51/19/908465119.db2.gz APEVEFLQKWOXBT-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317478058 908465125 /nfs/dbraw/zinc/46/51/25/908465125.db2.gz APEVEFLQKWOXBT-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317478058 908465130 /nfs/dbraw/zinc/46/51/30/908465130.db2.gz APEVEFLQKWOXBT-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001316802890 908776975 /nfs/dbraw/zinc/77/69/75/908776975.db2.gz HAPFKNHJXJCKMO-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+](CC)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001316890502 908822924 /nfs/dbraw/zinc/82/29/24/908822924.db2.gz ZUDMHQXKBUCUIY-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[N@@H+](CC)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001316890502 908822941 /nfs/dbraw/zinc/82/29/41/908822941.db2.gz ZUDMHQXKBUCUIY-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[NH+](CC)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001316890502 908822955 /nfs/dbraw/zinc/82/29/55/908822955.db2.gz ZUDMHQXKBUCUIY-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[NH+](CC)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001316890502 908822977 /nfs/dbraw/zinc/82/29/77/908822977.db2.gz ZUDMHQXKBUCUIY-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001316992973 908908876 /nfs/dbraw/zinc/90/88/76/908908876.db2.gz WFURCIAOGQGYND-CQSZACIVSA-N 2 1 293.411 0.475 20 30 CCEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001317033516 908931528 /nfs/dbraw/zinc/93/15/28/908931528.db2.gz HWJXTBWLVLYYSE-KGLIPLIRSA-N 2 1 263.385 0.446 20 30 CCEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001317033515 908931811 /nfs/dbraw/zinc/93/18/11/908931811.db2.gz HWJXTBWLVLYYSE-KBPBESRZSA-N 2 1 263.385 0.446 20 30 CCEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001317179081 909031271 /nfs/dbraw/zinc/03/12/71/909031271.db2.gz QAMAZSCERDEIOX-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001317179081 909031289 /nfs/dbraw/zinc/03/12/89/909031289.db2.gz QAMAZSCERDEIOX-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001317335681 909148833 /nfs/dbraw/zinc/14/88/33/909148833.db2.gz FKYJXNKZTHVYBM-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001317801453 909502990 /nfs/dbraw/zinc/50/29/90/909502990.db2.gz PGSQRQKFGKRUAH-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001318318805 909699024 /nfs/dbraw/zinc/69/90/24/909699024.db2.gz BAGPSPGHEVTLKR-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001318318805 909699031 /nfs/dbraw/zinc/69/90/31/909699031.db2.gz BAGPSPGHEVTLKR-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001318318805 909699042 /nfs/dbraw/zinc/69/90/42/909699042.db2.gz BAGPSPGHEVTLKR-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH2+][C@H](CC)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001318594678 909832882 /nfs/dbraw/zinc/83/28/82/909832882.db2.gz JOEXFZKOFQCWCT-CHWSQXEVSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001319198383 910032322 /nfs/dbraw/zinc/03/23/22/910032322.db2.gz VAJHJJOJUILBJC-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH+](C)CCN(C)C(=O)CC[N@H+](C)CCC ZINC001320072480 910449631 /nfs/dbraw/zinc/44/96/31/910449631.db2.gz JJNFJENBKZMSEN-UHFFFAOYSA-N 2 1 253.390 0.742 20 30 CCEDMP C#CC[N@@H+](C)CCN(C)C(=O)CC[NH+](C)CCC ZINC001320072480 910449639 /nfs/dbraw/zinc/44/96/39/910449639.db2.gz JJNFJENBKZMSEN-UHFFFAOYSA-N 2 1 253.390 0.742 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)CC[NH+](C)CCC ZINC001320072480 910449649 /nfs/dbraw/zinc/44/96/49/910449649.db2.gz JJNFJENBKZMSEN-UHFFFAOYSA-N 2 1 253.390 0.742 20 30 CCEDMP C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001321057793 911055429 /nfs/dbraw/zinc/05/54/29/911055429.db2.gz SLSQNCGTDBNSRN-GXMNPTEKSA-N 2 1 263.385 0.754 20 30 CCEDMP C#CCC[NH2+]C/C=C\CNC(=O)C[N@H+](C)C1CCC1 ZINC001321096454 911082253 /nfs/dbraw/zinc/08/22/53/911082253.db2.gz PJXDKGHLCUODEH-WAYWQWQTSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001321418920 911293935 /nfs/dbraw/zinc/29/39/35/911293935.db2.gz LZMGUEPLNAXDEX-UZYOAWRESA-N 2 1 263.385 0.756 20 30 CCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC#CCOC ZINC001321532354 911353205 /nfs/dbraw/zinc/35/32/05/911353205.db2.gz DLTGPJCMPJPVTP-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001321926136 911569377 /nfs/dbraw/zinc/56/93/77/911569377.db2.gz GGAJSPFENZDIMR-NSHDSACASA-N 2 1 250.346 0.862 20 30 CCEDMP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001322530266 911847634 /nfs/dbraw/zinc/84/76/34/911847634.db2.gz GCYVIEJLEOQIQS-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001329148732 915704291 /nfs/dbraw/zinc/70/42/91/915704291.db2.gz QWGDFKGKKWIPQU-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CCO[C@@H]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC001329945389 916302120 /nfs/dbraw/zinc/30/21/20/916302120.db2.gz NCBUAKUUKKDNCL-UONOGXRCSA-N 2 1 254.374 0.718 20 30 CCEDMP C=CCO[C@@H]1CC[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC001329945389 916302138 /nfs/dbraw/zinc/30/21/38/916302138.db2.gz NCBUAKUUKKDNCL-UONOGXRCSA-N 2 1 254.374 0.718 20 30 CCEDMP C=CCO[C@@H]1CC[N@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC001329945389 916302159 /nfs/dbraw/zinc/30/21/59/916302159.db2.gz NCBUAKUUKKDNCL-UONOGXRCSA-N 2 1 254.374 0.718 20 30 CCEDMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]2C1 ZINC001342816217 923098335 /nfs/dbraw/zinc/09/83/35/923098335.db2.gz MIOYVUHURLIYPO-LOWDOPEQSA-N 2 1 264.373 0.464 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001479963891 924960907 /nfs/dbraw/zinc/96/09/07/924960907.db2.gz YORFFYAJNAUTMC-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001479963891 924960911 /nfs/dbraw/zinc/96/09/11/924960911.db2.gz YORFFYAJNAUTMC-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP CNC(=[NH2+])NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000066245652 348738673 /nfs/dbraw/zinc/73/86/73/348738673.db2.gz RFOPBUIEJNJFTA-UHFFFAOYSA-N 2 1 299.419 0.463 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000592135872 359762401 /nfs/dbraw/zinc/76/24/01/359762401.db2.gz JDDSARFDPOKKBJ-STQMWFEESA-N 2 1 264.373 0.608 20 30 CCEDMP C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439624 360308357 /nfs/dbraw/zinc/30/83/57/360308357.db2.gz SQUODGMOPFHRRE-LBPRGKRZSA-N 2 1 252.362 0.562 20 30 CCEDMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594440991 360309878 /nfs/dbraw/zinc/30/98/78/360309878.db2.gz KLVSOBADVASJLB-VXGBXAGGSA-N 2 1 252.362 0.608 20 30 CCEDMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594444585 360311289 /nfs/dbraw/zinc/31/12/89/360311289.db2.gz UZFJSFPXEXHUIE-DGCLKSJQSA-N 2 1 270.352 0.558 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595904233 360698494 /nfs/dbraw/zinc/69/84/94/360698494.db2.gz BHNLIKDNHHQEIB-CHWSQXEVSA-N 2 1 296.415 0.838 20 30 CCEDMP C[NH+](C)CCC[N@H+](C)CCNc1ccncc1C#N ZINC000596424786 360890137 /nfs/dbraw/zinc/89/01/37/360890137.db2.gz LLIMGIXXPOPQFB-UHFFFAOYSA-N 2 1 261.373 0.671 20 30 CCEDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccncc1C#N ZINC000596424786 360890139 /nfs/dbraw/zinc/89/01/39/360890139.db2.gz LLIMGIXXPOPQFB-UHFFFAOYSA-N 2 1 261.373 0.671 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598719692 361495411 /nfs/dbraw/zinc/49/54/11/361495411.db2.gz JPASSQZAUGPJKA-ZDUSSCGKSA-N 2 1 296.415 0.041 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnn1C ZINC000104171996 389079633 /nfs/dbraw/zinc/07/96/33/389079633.db2.gz MVNJGUMCALLVKC-GFCCVEGCSA-N 2 1 264.377 0.309 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123808354 389158079 /nfs/dbraw/zinc/15/80/79/389158079.db2.gz QKTUTEQMKWWGQA-CYBMUJFWSA-N 2 1 276.384 0.977 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123808354 389158082 /nfs/dbraw/zinc/15/80/82/389158082.db2.gz QKTUTEQMKWWGQA-CYBMUJFWSA-N 2 1 276.384 0.977 20 30 CCEDMP C[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1n1ccnc1 ZINC000156438222 389326248 /nfs/dbraw/zinc/32/62/48/389326248.db2.gz XWYKBOUALBCSIM-RYUDHWBXSA-N 2 1 261.329 0.406 20 30 CCEDMP C[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1n1ccnc1 ZINC000156438222 389326249 /nfs/dbraw/zinc/32/62/49/389326249.db2.gz XWYKBOUALBCSIM-RYUDHWBXSA-N 2 1 261.329 0.406 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261577786 389272042 /nfs/dbraw/zinc/27/20/42/389272042.db2.gz OQKFHDBDURILPQ-AWEZNQCLSA-N 2 1 251.374 0.858 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261577786 389272046 /nfs/dbraw/zinc/27/20/46/389272046.db2.gz OQKFHDBDURILPQ-AWEZNQCLSA-N 2 1 251.374 0.858 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345697 389987395 /nfs/dbraw/zinc/98/73/95/389987395.db2.gz WKTWWGILBLOONT-OLZOCXBDSA-N 2 1 294.399 0.320 20 30 CCEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000570794512 390719178 /nfs/dbraw/zinc/71/91/78/390719178.db2.gz VVMOHBVYQAAOCG-HIFRSBDPSA-N 2 1 293.415 0.624 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CCC[NH2+]1 ZINC000662710553 414745125 /nfs/dbraw/zinc/74/51/25/414745125.db2.gz HADHSWQANXKHNL-GDBMZVCRSA-N 2 1 295.427 0.912 20 30 CCEDMP CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329422558 545022579 /nfs/dbraw/zinc/02/25/79/545022579.db2.gz FTWIAGLRQODSPF-AWEZNQCLSA-N 2 1 297.447 0.220 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@H+]2CCCC23CCC3)CC1 ZINC000491287355 261399109 /nfs/dbraw/zinc/39/91/09/261399109.db2.gz LXIGXNPARUEXRE-UHFFFAOYSA-N 2 1 275.396 0.782 20 30 CCEDMP CC(C)[N@@H+](C)C[C@@H](C)NC[C@H](O)CN(C)CCC#N ZINC000575251815 335088858 /nfs/dbraw/zinc/08/88/58/335088858.db2.gz GUHUACNXRWYOST-KGLIPLIRSA-N 2 1 270.421 0.511 20 30 CCEDMP CC(C)N(C)C[C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000575251815 335088859 /nfs/dbraw/zinc/08/88/59/335088859.db2.gz GUHUACNXRWYOST-KGLIPLIRSA-N 2 1 270.421 0.511 20 30 CCEDMP N#CCC[C@@H](C#N)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000582780384 329183783 /nfs/dbraw/zinc/18/37/83/329183783.db2.gz MPXKZRGYZHCJOJ-UONOGXRCSA-N 2 1 291.399 0.607 20 30 CCEDMP C[C@H]1CN(C(=[NH2+])NCC2=CC[N@@H+](C)CC2)CCO1 ZINC000262306779 330005384 /nfs/dbraw/zinc/00/53/84/330005384.db2.gz ASHJMUAPFDGLSX-NSHDSACASA-N 2 1 252.362 0.284 20 30 CCEDMP C#CCNC(NCC[N@H+]1CCC[C@H](C)C1)=[NH+]CC ZINC000262601401 330022687 /nfs/dbraw/zinc/02/26/87/330022687.db2.gz CYQQKNVSWHGNIL-ZDUSSCGKSA-N 2 1 250.390 0.907 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424146909 330293876 /nfs/dbraw/zinc/29/38/76/330293876.db2.gz QKEHJCIXNPBPAE-QWHCGFSZSA-N 2 1 266.389 0.950 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000491067896 332144644 /nfs/dbraw/zinc/14/46/44/332144644.db2.gz LCIWYTXFJWLMKZ-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000491067896 332144646 /nfs/dbraw/zinc/14/46/46/332144646.db2.gz LCIWYTXFJWLMKZ-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000491067896 332144647 /nfs/dbraw/zinc/14/46/47/332144647.db2.gz LCIWYTXFJWLMKZ-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491069783 332145526 /nfs/dbraw/zinc/14/55/26/332145526.db2.gz YASBMNAPZDYCGK-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000491069783 332145528 /nfs/dbraw/zinc/14/55/28/332145528.db2.gz YASBMNAPZDYCGK-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCNC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000491069783 332145529 /nfs/dbraw/zinc/14/55/29/332145529.db2.gz YASBMNAPZDYCGK-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000491069783 332145531 /nfs/dbraw/zinc/14/55/31/332145531.db2.gz YASBMNAPZDYCGK-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000491631330 332253913 /nfs/dbraw/zinc/25/39/13/332253913.db2.gz NYOGILAVBAUSMX-ZFWWWQNUSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000491631330 332253914 /nfs/dbraw/zinc/25/39/14/332253914.db2.gz NYOGILAVBAUSMX-ZFWWWQNUSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000491631330 332253916 /nfs/dbraw/zinc/25/39/16/332253916.db2.gz NYOGILAVBAUSMX-ZFWWWQNUSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000491709792 332301739 /nfs/dbraw/zinc/30/17/39/332301739.db2.gz PVQIZLJMXUDEQZ-HNNXBMFYSA-N 2 1 288.395 0.941 20 30 CCEDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000577055529 335292022 /nfs/dbraw/zinc/29/20/22/335292022.db2.gz RCJFDVAAZAIDDI-CABCVRRESA-N 2 1 282.432 0.514 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H](C)COC)CC1 ZINC000581483891 336087224 /nfs/dbraw/zinc/08/72/24/336087224.db2.gz LPWPAOJFEVRNGZ-UKRRQHHQSA-N 2 1 286.416 0.639 20 30 CCEDMP C=C[C@H](O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000667812139 545156594 /nfs/dbraw/zinc/15/65/94/545156594.db2.gz FFJKTYRDYJAWAL-KBPBESRZSA-N 2 1 283.416 0.408 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754464613 581593206 /nfs/dbraw/zinc/59/32/06/581593206.db2.gz RGBPRBDGGZVXHY-ZIAGYGMSSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464613 581593209 /nfs/dbraw/zinc/59/32/09/581593209.db2.gz RGBPRBDGGZVXHY-ZIAGYGMSSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000730281698 581690986 /nfs/dbraw/zinc/69/09/86/581690986.db2.gz SOATZUNWFOAFEW-ZNMIVQPWSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000730281698 581690989 /nfs/dbraw/zinc/69/09/89/581690989.db2.gz SOATZUNWFOAFEW-ZNMIVQPWSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000730281698 581690999 /nfs/dbraw/zinc/69/09/99/581690999.db2.gz SOATZUNWFOAFEW-ZNMIVQPWSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000730281698 581691004 /nfs/dbraw/zinc/69/10/04/581691004.db2.gz SOATZUNWFOAFEW-ZNMIVQPWSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)C1CC1 ZINC000730282495 581691544 /nfs/dbraw/zinc/69/15/44/581691544.db2.gz MWIMEGZSPWQUEV-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)C1CC1 ZINC000730282495 581691547 /nfs/dbraw/zinc/69/15/47/581691547.db2.gz MWIMEGZSPWQUEV-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C1CC1 ZINC000730282495 581691550 /nfs/dbraw/zinc/69/15/50/581691550.db2.gz MWIMEGZSPWQUEV-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C1CC1 ZINC000730282495 581691553 /nfs/dbraw/zinc/69/15/53/581691553.db2.gz MWIMEGZSPWQUEV-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000771573051 581809244 /nfs/dbraw/zinc/80/92/44/581809244.db2.gz XUYRJZHJPUMELJ-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000771573051 581809245 /nfs/dbraw/zinc/80/92/45/581809245.db2.gz XUYRJZHJPUMELJ-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C1CC1 ZINC000771573051 581809247 /nfs/dbraw/zinc/80/92/47/581809247.db2.gz XUYRJZHJPUMELJ-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C1CC1 ZINC000771573051 581809250 /nfs/dbraw/zinc/80/92/50/581809250.db2.gz XUYRJZHJPUMELJ-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC000743493251 581814142 /nfs/dbraw/zinc/81/41/42/581814142.db2.gz KVGGWZQWCQCLFI-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891921055 613074849 /nfs/dbraw/zinc/07/48/49/613074849.db2.gz IRDWJTQRXZTJPG-NWDGAFQWSA-N 2 1 252.362 0.073 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[C@H](C)[NH+](C)C ZINC000854094321 613075031 /nfs/dbraw/zinc/07/50/31/613075031.db2.gz MDWOBDXRUNJBDA-ZDUSSCGKSA-N 2 1 268.405 0.581 20 30 CCEDMP C#CC1(O)CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000931142720 612952139 /nfs/dbraw/zinc/95/21/39/612952139.db2.gz CWCZZFCOPQQLGX-UHFFFAOYSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000969962374 612963750 /nfs/dbraw/zinc/96/37/50/612963750.db2.gz LUYGJNFJXIDIAM-UONOGXRCSA-N 2 1 286.379 0.578 20 30 CCEDMP C#CCOCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000852208899 612983962 /nfs/dbraw/zinc/98/39/62/612983962.db2.gz WNAYDDGPWOTVGS-UHFFFAOYSA-N 2 1 252.358 0.433 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000950336819 612990762 /nfs/dbraw/zinc/99/07/62/612990762.db2.gz YRHKIRSRCULXQN-MRXNPFEDSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970875484 612994176 /nfs/dbraw/zinc/99/41/76/612994176.db2.gz PLRJISOLVDDHCW-CHWSQXEVSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861633957 613076644 /nfs/dbraw/zinc/07/66/44/613076644.db2.gz ALTUWLXUIFOMGI-OLZOCXBDSA-N 2 1 266.389 0.381 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972333114 613080678 /nfs/dbraw/zinc/08/06/78/613080678.db2.gz UAVANYSFVIDPKX-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000972333114 613080679 /nfs/dbraw/zinc/08/06/79/613080679.db2.gz UAVANYSFVIDPKX-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000972333114 613080681 /nfs/dbraw/zinc/08/06/81/613080681.db2.gz UAVANYSFVIDPKX-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972266175 613082432 /nfs/dbraw/zinc/08/24/32/613082432.db2.gz QAABKRWEEXLXAU-ZIAGYGMSSA-N 2 1 265.401 0.739 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971793693 613082924 /nfs/dbraw/zinc/08/29/24/613082924.db2.gz FOKODKOOYFNMKI-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000971793693 613082926 /nfs/dbraw/zinc/08/29/26/613082926.db2.gz FOKODKOOYFNMKI-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000971793693 613082928 /nfs/dbraw/zinc/08/29/28/613082928.db2.gz FOKODKOOYFNMKI-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000972171170 613083726 /nfs/dbraw/zinc/08/37/26/613083726.db2.gz GPTRQKJBTAJKGX-HUUCEWRRSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000972171170 613083727 /nfs/dbraw/zinc/08/37/27/613083727.db2.gz GPTRQKJBTAJKGX-HUUCEWRRSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972171170 613083728 /nfs/dbraw/zinc/08/37/28/613083728.db2.gz GPTRQKJBTAJKGX-HUUCEWRRSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972171170 613083729 /nfs/dbraw/zinc/08/37/29/613083729.db2.gz GPTRQKJBTAJKGX-HUUCEWRRSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969691199 613123692 /nfs/dbraw/zinc/12/36/92/613123692.db2.gz RVPJIYLIRPNQDD-AEGPPILISA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000969691199 613123694 /nfs/dbraw/zinc/12/36/94/613123694.db2.gz RVPJIYLIRPNQDD-AEGPPILISA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCF)C2)CC1 ZINC000980477676 613128989 /nfs/dbraw/zinc/12/89/89/613128989.db2.gz IRXPLFPUHIVWBM-OAHLLOKOSA-N 2 1 295.402 0.834 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC000928649697 613132779 /nfs/dbraw/zinc/13/27/79/613132779.db2.gz QCMCSFFXEBDUJM-UHFFFAOYSA-N 2 1 263.385 0.685 20 30 CCEDMP C#C[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000839565192 613150608 /nfs/dbraw/zinc/15/06/08/613150608.db2.gz VJZHBAUOTBUECP-LSDHHAIUSA-N 2 1 293.411 0.357 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CC=CCC2)C1 ZINC000890364955 613169414 /nfs/dbraw/zinc/16/94/14/613169414.db2.gz MFBVFDAIQDXJFW-OAHLLOKOSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC000890364955 613169415 /nfs/dbraw/zinc/16/94/15/613169415.db2.gz MFBVFDAIQDXJFW-OAHLLOKOSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CC=CCC2)C1 ZINC000890364955 613169416 /nfs/dbraw/zinc/16/94/16/613169416.db2.gz MFBVFDAIQDXJFW-OAHLLOKOSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CC=CCC2)C1 ZINC000890364955 613169417 /nfs/dbraw/zinc/16/94/17/613169417.db2.gz MFBVFDAIQDXJFW-OAHLLOKOSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000890366963 613183628 /nfs/dbraw/zinc/18/36/28/613183628.db2.gz GFODOYUSPWOLJZ-GJZGRUSLSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000890366963 613183630 /nfs/dbraw/zinc/18/36/30/613183630.db2.gz GFODOYUSPWOLJZ-GJZGRUSLSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000896491167 613184155 /nfs/dbraw/zinc/18/41/55/613184155.db2.gz ZZKLJKOBJQESMG-SOUVJXGZSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000896491167 613184156 /nfs/dbraw/zinc/18/41/56/613184156.db2.gz ZZKLJKOBJQESMG-SOUVJXGZSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000896491167 613184158 /nfs/dbraw/zinc/18/41/58/613184158.db2.gz ZZKLJKOBJQESMG-SOUVJXGZSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)C1 ZINC000896491167 613184159 /nfs/dbraw/zinc/18/41/59/613184159.db2.gz ZZKLJKOBJQESMG-SOUVJXGZSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000884200686 613188101 /nfs/dbraw/zinc/18/81/01/613188101.db2.gz ISWYLDZZZBECGD-KBPBESRZSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000884200686 613188102 /nfs/dbraw/zinc/18/81/02/613188102.db2.gz ISWYLDZZZBECGD-KBPBESRZSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000884200686 613188103 /nfs/dbraw/zinc/18/81/03/613188103.db2.gz ISWYLDZZZBECGD-KBPBESRZSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000884200686 613188104 /nfs/dbraw/zinc/18/81/04/613188104.db2.gz ISWYLDZZZBECGD-KBPBESRZSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]C(C)C)C1 ZINC000961941658 613198038 /nfs/dbraw/zinc/19/80/38/613198038.db2.gz YUVSIVKQPRWWTB-NRXISQOPSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]C(C)C)C1 ZINC000961941658 613198040 /nfs/dbraw/zinc/19/80/40/613198040.db2.gz YUVSIVKQPRWWTB-NRXISQOPSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944965657 613262068 /nfs/dbraw/zinc/26/20/68/613262068.db2.gz TWTWOXUCOBKXBO-OCCSQVGLSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944965657 613262070 /nfs/dbraw/zinc/26/20/70/613262070.db2.gz TWTWOXUCOBKXBO-OCCSQVGLSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC000978235356 613308654 /nfs/dbraw/zinc/30/86/54/613308654.db2.gz VAYXGFFTKROCHD-LVQVYYBASA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978235356 613308655 /nfs/dbraw/zinc/30/86/55/613308655.db2.gz VAYXGFFTKROCHD-LVQVYYBASA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978235356 613308656 /nfs/dbraw/zinc/30/86/56/613308656.db2.gz VAYXGFFTKROCHD-LVQVYYBASA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000960175164 613316631 /nfs/dbraw/zinc/31/66/31/613316631.db2.gz MSFWFFNEZIISTH-BARDWOONSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC000960175164 613316632 /nfs/dbraw/zinc/31/66/32/613316632.db2.gz MSFWFFNEZIISTH-BARDWOONSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC000960175164 613316633 /nfs/dbraw/zinc/31/66/33/613316633.db2.gz MSFWFFNEZIISTH-BARDWOONSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC000962313884 613321511 /nfs/dbraw/zinc/32/15/11/613321511.db2.gz URDLNWUFORDYEG-NHAGDIPZSA-N 2 1 284.363 0.441 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC000962313884 613321513 /nfs/dbraw/zinc/32/15/13/613321513.db2.gz URDLNWUFORDYEG-NHAGDIPZSA-N 2 1 284.363 0.441 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878863665 613324546 /nfs/dbraw/zinc/32/45/46/613324546.db2.gz BHDRRFLCUVNKDU-UHFFFAOYSA-N 2 1 263.385 0.544 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970712389 613348902 /nfs/dbraw/zinc/34/89/02/613348902.db2.gz NVRSWODYUGOOPJ-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928085263 613366783 /nfs/dbraw/zinc/36/67/83/613366783.db2.gz HGFJOSDIQMREAC-CHWSQXEVSA-N 2 1 283.441 0.800 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000876891300 613387843 /nfs/dbraw/zinc/38/78/43/613387843.db2.gz VIEGGZQVPZBNLG-LLVKDONJSA-N 2 1 275.780 0.295 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000876891300 613387844 /nfs/dbraw/zinc/38/78/44/613387844.db2.gz VIEGGZQVPZBNLG-LLVKDONJSA-N 2 1 275.780 0.295 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000876779781 613387900 /nfs/dbraw/zinc/38/79/00/613387900.db2.gz MZNPKDOAWUBGOP-GFCCVEGCSA-N 2 1 288.823 0.210 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000876744069 613390064 /nfs/dbraw/zinc/39/00/64/613390064.db2.gz MYXCVKFZHNJHDH-WOPDTQHZSA-N 2 1 287.791 0.436 20 30 CCEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982150873 613542367 /nfs/dbraw/zinc/54/23/67/613542367.db2.gz YXLRLIJVMCADCP-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000982150873 613542368 /nfs/dbraw/zinc/54/23/68/613542368.db2.gz YXLRLIJVMCADCP-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982150873 613542369 /nfs/dbraw/zinc/54/23/69/613542369.db2.gz YXLRLIJVMCADCP-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000923333809 613585550 /nfs/dbraw/zinc/58/55/50/613585550.db2.gz SWBFBHPHKGWRDA-UONOGXRCSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000980448459 613632024 /nfs/dbraw/zinc/63/20/24/613632024.db2.gz MRQGJZIWGHQZDF-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000980448459 613632026 /nfs/dbraw/zinc/63/20/26/613632026.db2.gz MRQGJZIWGHQZDF-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000980448459 613632027 /nfs/dbraw/zinc/63/20/27/613632027.db2.gz MRQGJZIWGHQZDF-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000980448459 613632029 /nfs/dbraw/zinc/63/20/29/613632029.db2.gz MRQGJZIWGHQZDF-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCNC(=[NH2+])NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000848982513 613844714 /nfs/dbraw/zinc/84/47/14/613844714.db2.gz SIBGLHIZWHFYGD-GFCCVEGCSA-N 2 1 254.378 0.643 20 30 CCEDMP CCNC(NCCCC[N@H+]1CCC[C@@H]1CO)=[NH+]CC ZINC000849214507 614420859 /nfs/dbraw/zinc/42/08/59/614420859.db2.gz IKXYPGKGNGVAHX-CYBMUJFWSA-N 2 1 270.421 0.798 20 30 CCEDMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834484497 614906628 /nfs/dbraw/zinc/90/66/28/614906628.db2.gz JQRAMWRCXDNDMZ-STQMWFEESA-N 2 1 266.389 0.726 20 30 CCEDMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864847 615454456 /nfs/dbraw/zinc/45/44/56/615454456.db2.gz JTSMLSUKHPIGGZ-CYBMUJFWSA-N 2 1 265.401 0.836 20 30 CCEDMP C[N@H+](C[C@H](O)C[NH2+]CCNc1ccc(C#N)cn1)C1CC1 ZINC000818952734 616149670 /nfs/dbraw/zinc/14/96/70/616149670.db2.gz WLIDPVXNQJJWRH-CQSZACIVSA-N 2 1 289.383 0.410 20 30 CCEDMP C[N@@H+](C[C@H](O)C[NH2+]CCNc1ccc(C#N)cn1)C1CC1 ZINC000818952734 616149672 /nfs/dbraw/zinc/14/96/72/616149672.db2.gz WLIDPVXNQJJWRH-CQSZACIVSA-N 2 1 289.383 0.410 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001026046125 625325492 /nfs/dbraw/zinc/32/54/92/625325492.db2.gz VYSUIYYJMKBJNI-BTFPBAQTSA-N 2 1 277.412 0.807 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026046125 625325496 /nfs/dbraw/zinc/32/54/96/625325496.db2.gz VYSUIYYJMKBJNI-BTFPBAQTSA-N 2 1 277.412 0.807 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026046125 625325500 /nfs/dbraw/zinc/32/55/00/625325500.db2.gz VYSUIYYJMKBJNI-BTFPBAQTSA-N 2 1 277.412 0.807 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001026283288 625387742 /nfs/dbraw/zinc/38/77/42/625387742.db2.gz FXDLFDDMEFADKJ-CWRNSKLLSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001026315832 625396360 /nfs/dbraw/zinc/39/63/60/625396360.db2.gz UBYKEEUHGMACQV-SOUVJXGZSA-N 2 1 286.379 0.651 20 30 CCEDMP C#CC[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001026592906 625477384 /nfs/dbraw/zinc/47/73/84/625477384.db2.gz STXOZUCINPZXNR-NFOMZHRRSA-N 2 1 277.412 0.978 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCOC1 ZINC000245926877 622956214 /nfs/dbraw/zinc/95/62/14/622956214.db2.gz WWJRYXQKGBVNTI-OLZOCXBDSA-N 2 1 268.405 0.802 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001023272805 622974301 /nfs/dbraw/zinc/97/43/01/622974301.db2.gz DUGNVTUCIBCVRE-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001023272805 622974306 /nfs/dbraw/zinc/97/43/06/622974306.db2.gz DUGNVTUCIBCVRE-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001023272805 622974311 /nfs/dbraw/zinc/97/43/11/622974311.db2.gz DUGNVTUCIBCVRE-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703660 623107370 /nfs/dbraw/zinc/10/73/70/623107370.db2.gz PQXHHCMFESDRGN-CQSZACIVSA-N 2 1 275.396 0.544 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001018965953 623776646 /nfs/dbraw/zinc/77/66/46/623776646.db2.gz AOQIMKMPZLPYAR-QWHCGFSZSA-N 2 1 272.352 0.584 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001021088734 624657074 /nfs/dbraw/zinc/65/70/74/624657074.db2.gz YGECCJVWRIKOIN-YXSUXZIUSA-N 2 1 263.385 0.729 20 30 CCEDMP C[NH+]=C(NCC(C)(C)[NH+](C)C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261974409 624947091 /nfs/dbraw/zinc/94/70/91/624947091.db2.gz NJHNBIBYCYRBPV-TZMCWYRMSA-N 3 1 295.475 0.974 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001009592199 625860372 /nfs/dbraw/zinc/86/03/72/625860372.db2.gz GXFDIEGVTYKUPE-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001009592199 625860374 /nfs/dbraw/zinc/86/03/74/625860374.db2.gz GXFDIEGVTYKUPE-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009592199 625860381 /nfs/dbraw/zinc/86/03/81/625860381.db2.gz GXFDIEGVTYKUPE-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009592199 625860383 /nfs/dbraw/zinc/86/03/83/625860383.db2.gz GXFDIEGVTYKUPE-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027805447 630933627 /nfs/dbraw/zinc/93/36/27/630933627.db2.gz SNHFIZUGFSEYMO-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027805447 630933630 /nfs/dbraw/zinc/93/36/30/630933630.db2.gz SNHFIZUGFSEYMO-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027805447 630933632 /nfs/dbraw/zinc/93/36/32/630933632.db2.gz SNHFIZUGFSEYMO-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027805447 630933634 /nfs/dbraw/zinc/93/36/34/630933634.db2.gz SNHFIZUGFSEYMO-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027806325 630934753 /nfs/dbraw/zinc/93/47/53/630934753.db2.gz GGCRBFKMWAGCRJ-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027806325 630934760 /nfs/dbraw/zinc/93/47/60/630934760.db2.gz GGCRBFKMWAGCRJ-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027806325 630934764 /nfs/dbraw/zinc/93/47/64/630934764.db2.gz GGCRBFKMWAGCRJ-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027806325 630934773 /nfs/dbraw/zinc/93/47/73/630934773.db2.gz GGCRBFKMWAGCRJ-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261660086 631420792 /nfs/dbraw/zinc/42/07/92/631420792.db2.gz ARGQMHYLZHELKO-TZMCWYRMSA-N 2 1 294.443 0.939 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)C[C@@H]1CCOC1 ZINC000261719352 631546172 /nfs/dbraw/zinc/54/61/72/631546172.db2.gz WMEQDWQKFAQQQC-STQMWFEESA-N 2 1 268.405 0.482 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001007624258 650086543 /nfs/dbraw/zinc/08/65/43/650086543.db2.gz LMFPBQSTTCICBR-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001007624258 650086547 /nfs/dbraw/zinc/08/65/47/650086547.db2.gz LMFPBQSTTCICBR-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001007624258 650086548 /nfs/dbraw/zinc/08/65/48/650086548.db2.gz LMFPBQSTTCICBR-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007624258 650086550 /nfs/dbraw/zinc/08/65/50/650086550.db2.gz LMFPBQSTTCICBR-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007624258 650086552 /nfs/dbraw/zinc/08/65/52/650086552.db2.gz LMFPBQSTTCICBR-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC000989802306 633354394 /nfs/dbraw/zinc/35/43/94/633354394.db2.gz GHRLHRVBKDKCSL-AAEUAGOBSA-N 2 1 260.341 0.404 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)Cn3cncc3C)CCC[C@H]12 ZINC000991864126 637104205 /nfs/dbraw/zinc/10/42/05/637104205.db2.gz UOXINTLXGBAKQK-GOEBONIOSA-N 2 1 286.379 0.938 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991864126 637104210 /nfs/dbraw/zinc/10/42/10/637104210.db2.gz UOXINTLXGBAKQK-GOEBONIOSA-N 2 1 286.379 0.938 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995981195 638806402 /nfs/dbraw/zinc/80/64/02/638806402.db2.gz NHERHBAHPHBPBF-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996516912 638821411 /nfs/dbraw/zinc/82/14/11/638821411.db2.gz CIYCSKMLBOBEAY-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014472095 650455126 /nfs/dbraw/zinc/45/51/26/650455126.db2.gz ONHUCHPECXFCNI-CYBMUJFWSA-N 2 1 291.399 0.435 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC=C)C1 ZINC000999398833 638978754 /nfs/dbraw/zinc/97/87/54/638978754.db2.gz PYLOPGVXMWAEFW-GJZGRUSLSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC=C)C1 ZINC000999398833 638978757 /nfs/dbraw/zinc/97/87/57/638978757.db2.gz PYLOPGVXMWAEFW-GJZGRUSLSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000999404302 638980698 /nfs/dbraw/zinc/98/06/98/638980698.db2.gz VHGDTWWHEIEQLT-UHFFFAOYSA-N 2 1 277.412 0.931 20 30 CCEDMP CC[NH+]=C(NCC1(O)CCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000086485022 639839700 /nfs/dbraw/zinc/83/97/00/639839700.db2.gz KFZFPBIXQUYAJW-LBPRGKRZSA-N 2 1 280.416 0.693 20 30 CCEDMP CC[NH+]=C(NCC1(O)CCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000086485022 639839703 /nfs/dbraw/zinc/83/97/03/639839703.db2.gz KFZFPBIXQUYAJW-LBPRGKRZSA-N 2 1 280.416 0.693 20 30 CCEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001016553850 640211810 /nfs/dbraw/zinc/21/18/10/640211810.db2.gz TYFXEAKLYSFLAP-ZIAGYGMSSA-N 2 1 293.411 0.474 20 30 CCEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553850 640211816 /nfs/dbraw/zinc/21/18/16/640211816.db2.gz TYFXEAKLYSFLAP-ZIAGYGMSSA-N 2 1 293.411 0.474 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015706612 650613180 /nfs/dbraw/zinc/61/31/80/650613180.db2.gz QYSBEYQYWZRPEC-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015706612 650613181 /nfs/dbraw/zinc/61/31/81/650613181.db2.gz QYSBEYQYWZRPEC-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001015706612 650613185 /nfs/dbraw/zinc/61/31/85/650613185.db2.gz QYSBEYQYWZRPEC-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015706612 650613191 /nfs/dbraw/zinc/61/31/91/650613191.db2.gz QYSBEYQYWZRPEC-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001016009439 650674648 /nfs/dbraw/zinc/67/46/48/650674648.db2.gz SFJCXGWHURITFE-CYBMUJFWSA-N 2 1 286.379 0.975 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001016009439 650674652 /nfs/dbraw/zinc/67/46/52/650674652.db2.gz SFJCXGWHURITFE-CYBMUJFWSA-N 2 1 286.379 0.975 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016252100 650705951 /nfs/dbraw/zinc/70/59/51/650705951.db2.gz YWKKDZGYLDGMSD-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016252100 650705952 /nfs/dbraw/zinc/70/59/52/650705952.db2.gz YWKKDZGYLDGMSD-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016252100 650705953 /nfs/dbraw/zinc/70/59/53/650705953.db2.gz YWKKDZGYLDGMSD-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001016553849 650744019 /nfs/dbraw/zinc/74/40/19/650744019.db2.gz TYFXEAKLYSFLAP-UONOGXRCSA-N 2 1 293.411 0.474 20 30 CCEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553849 650744020 /nfs/dbraw/zinc/74/40/20/650744020.db2.gz TYFXEAKLYSFLAP-UONOGXRCSA-N 2 1 293.411 0.474 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001016534492 650742095 /nfs/dbraw/zinc/74/20/95/650742095.db2.gz AYNXXKOLDVNNMU-KBPBESRZSA-N 2 1 275.396 0.685 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001019285299 650956984 /nfs/dbraw/zinc/95/69/84/650956984.db2.gz HSPJORSFNUUCBM-KBPBESRZSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001019285299 650956987 /nfs/dbraw/zinc/95/69/87/650956987.db2.gz HSPJORSFNUUCBM-KBPBESRZSA-N 2 1 281.400 0.472 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001020149843 651044759 /nfs/dbraw/zinc/04/47/59/651044759.db2.gz FDTBHMGSMHAJCE-KBUPBQIOSA-N 2 1 275.396 0.731 20 30 CCEDMP CCCNC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000303975979 649827401 /nfs/dbraw/zinc/82/74/01/649827401.db2.gz JMRHHDZMYQQAJK-UHFFFAOYSA-N 2 1 255.410 0.328 20 30 CCEDMP CCCNC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000303975979 649827403 /nfs/dbraw/zinc/82/74/03/649827403.db2.gz JMRHHDZMYQQAJK-UHFFFAOYSA-N 2 1 255.410 0.328 20 30 CCEDMP CCCNC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000303975979 649827404 /nfs/dbraw/zinc/82/74/04/649827404.db2.gz JMRHHDZMYQQAJK-UHFFFAOYSA-N 2 1 255.410 0.328 20 30 CCEDMP CCOCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303694550 649824125 /nfs/dbraw/zinc/82/41/25/649824125.db2.gz DAABRZNCQJFGGJ-UHFFFAOYSA-N 2 1 272.393 0.040 20 30 CCEDMP CCCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303691596 649824158 /nfs/dbraw/zinc/82/41/58/649824158.db2.gz APXSIJFOLOMWEG-UHFFFAOYSA-N 2 1 256.394 0.803 20 30 CCEDMP C[C@@H](CNC(=[NH2+])NCC1CCC1)CN1CC[NH+](C)CC1 ZINC000303869776 649826015 /nfs/dbraw/zinc/82/60/15/649826015.db2.gz FCRPOURHCBLYCH-ZDUSSCGKSA-N 2 1 281.448 0.574 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000303897848 649826654 /nfs/dbraw/zinc/82/66/54/649826654.db2.gz VEYPPLIPBWNJOE-CQSZACIVSA-N 2 1 281.448 0.740 20 30 CCEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000304759679 649838155 /nfs/dbraw/zinc/83/81/55/649838155.db2.gz RLSOTTUIWQQCKO-LLVKDONJSA-N 2 1 256.419 0.692 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOCC1CC1 ZINC000304753490 649838246 /nfs/dbraw/zinc/83/82/46/649838246.db2.gz LDDTZHSNAMJWNS-UHFFFAOYSA-N 2 1 284.404 0.040 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038137906 791250869 /nfs/dbraw/zinc/25/08/69/791250869.db2.gz SOHQFUFHTCOIAY-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038137906 791250874 /nfs/dbraw/zinc/25/08/74/791250874.db2.gz SOHQFUFHTCOIAY-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038137906 791250879 /nfs/dbraw/zinc/25/08/79/791250879.db2.gz SOHQFUFHTCOIAY-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038137906 791250884 /nfs/dbraw/zinc/25/08/84/791250884.db2.gz SOHQFUFHTCOIAY-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038141416 791702831 /nfs/dbraw/zinc/70/28/31/791702831.db2.gz KZNRQNVWLTYIHW-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038141416 791702837 /nfs/dbraw/zinc/70/28/37/791702837.db2.gz KZNRQNVWLTYIHW-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038141416 791702847 /nfs/dbraw/zinc/70/28/47/791702847.db2.gz KZNRQNVWLTYIHW-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038141416 791702866 /nfs/dbraw/zinc/70/28/66/791702866.db2.gz KZNRQNVWLTYIHW-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP N#CCOc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1 ZINC001234980648 806322866 /nfs/dbraw/zinc/32/28/66/806322866.db2.gz HHOHRBAKFBHUSX-INIZCTEOSA-N 2 1 286.379 0.726 20 30 CCEDMP N#Cc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(F)c1 ZINC001234987109 806330778 /nfs/dbraw/zinc/33/07/78/806330778.db2.gz MJNWZVONLVMKQD-OAHLLOKOSA-N 2 1 274.343 0.835 20 30 CCEDMP CN(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](CCC#N)CC2 ZINC001277938870 806410462 /nfs/dbraw/zinc/41/04/62/806410462.db2.gz GXUMFLKOBQIEEJ-UHFFFAOYSA-N 2 1 278.400 0.776 20 30 CCEDMP CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](CCC#N)CC2 ZINC001277938870 806410463 /nfs/dbraw/zinc/41/04/63/806410463.db2.gz GXUMFLKOBQIEEJ-UHFFFAOYSA-N 2 1 278.400 0.776 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001277956041 806470833 /nfs/dbraw/zinc/47/08/33/806470833.db2.gz GCFHPUDZNQPCSN-OAHLLOKOSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC001121903509 799087957 /nfs/dbraw/zinc/08/79/57/799087957.db2.gz HVBLAYMBJSBFPR-CHWSQXEVSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC001121903509 799087964 /nfs/dbraw/zinc/08/79/64/799087964.db2.gz HVBLAYMBJSBFPR-CHWSQXEVSA-N 2 1 251.374 0.588 20 30 CCEDMP C=CC[N@@H+](C)CCN(CC)C(=O)CC[NH+]1CCOCC1 ZINC001139870038 799852011 /nfs/dbraw/zinc/85/20/11/799852011.db2.gz WUUVZKYPBWTELM-UHFFFAOYSA-N 2 1 283.416 0.675 20 30 CCEDMP C=CC[N@H+](C)CCN(CC)C(=O)CC[NH+]1CCOCC1 ZINC001139870038 799852014 /nfs/dbraw/zinc/85/20/14/799852014.db2.gz WUUVZKYPBWTELM-UHFFFAOYSA-N 2 1 283.416 0.675 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480287 800338746 /nfs/dbraw/zinc/33/87/46/800338746.db2.gz JZPNWTBDBFWETF-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152392009 800517141 /nfs/dbraw/zinc/51/71/41/800517141.db2.gz IGLNLTASLRUZOX-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152427273 800521096 /nfs/dbraw/zinc/52/10/96/800521096.db2.gz VQVMHCYOIKDUCX-UHFFFAOYSA-N 2 1 257.378 0.235 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153823949 800673169 /nfs/dbraw/zinc/67/31/69/800673169.db2.gz FQWCAAOYGRCNRK-CYBMUJFWSA-N 2 1 265.401 0.931 20 30 CCEDMP Cc1nc(Cl)nc(NC(=[NH2+])NCCCC[NH3+])c1C#N ZINC001157095959 801299561 /nfs/dbraw/zinc/29/95/61/801299561.db2.gz CGVKRLGRCQEXKX-UHFFFAOYSA-N 2 1 281.751 0.985 20 30 CCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113821 801305298 /nfs/dbraw/zinc/30/52/98/801305298.db2.gz PFMCKYUBNZCCEF-OAHLLOKOSA-N 2 1 297.443 0.803 20 30 CCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157113821 801305303 /nfs/dbraw/zinc/30/53/03/801305303.db2.gz PFMCKYUBNZCCEF-OAHLLOKOSA-N 2 1 297.443 0.803 20 30 CCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157113821 801305306 /nfs/dbraw/zinc/30/53/06/801305306.db2.gz PFMCKYUBNZCCEF-OAHLLOKOSA-N 2 1 297.443 0.803 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001278301318 806915564 /nfs/dbraw/zinc/91/55/64/806915564.db2.gz MGXMRENBXCTPBF-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H]1CCOC1 ZINC001160209494 801920324 /nfs/dbraw/zinc/92/03/24/801920324.db2.gz MVSITUNNTZYYNS-CABCVRRESA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H]1CCOC1 ZINC001160209494 801920327 /nfs/dbraw/zinc/92/03/27/801920327.db2.gz MVSITUNNTZYYNS-CABCVRRESA-N 2 1 293.411 0.216 20 30 CCEDMP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161419983 802153222 /nfs/dbraw/zinc/15/32/22/802153222.db2.gz BIOKUCKQIOZREF-CABCVRRESA-N 2 1 284.363 0.345 20 30 CCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165711746 802862967 /nfs/dbraw/zinc/86/29/67/802862967.db2.gz VQULMWYRCXTGDL-ZIAGYGMSSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165711746 802862972 /nfs/dbraw/zinc/86/29/72/802862972.db2.gz VQULMWYRCXTGDL-ZIAGYGMSSA-N 2 1 295.427 0.768 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166627150 802926352 /nfs/dbraw/zinc/92/63/52/802926352.db2.gz RBBCDKHBPNSNJT-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP N#Cc1cccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)n1 ZINC001205242545 803130272 /nfs/dbraw/zinc/13/02/72/803130272.db2.gz YAHZPYQNSVWOGH-CQSZACIVSA-N 2 1 260.341 0.629 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206281152 803223215 /nfs/dbraw/zinc/22/32/15/803223215.db2.gz CXKHHAOLCMYJSE-DZGCQCFKSA-N 2 1 277.412 0.646 20 30 CCEDMP CCc1cc(C#N)ccc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206535617 803263530 /nfs/dbraw/zinc/26/35/30/803263530.db2.gz NVHGVUUAXXQRSK-GJZGRUSLSA-N 2 1 259.353 0.872 20 30 CCEDMP CCc1cc(C#N)ccc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206535617 803263535 /nfs/dbraw/zinc/26/35/35/803263535.db2.gz NVHGVUUAXXQRSK-GJZGRUSLSA-N 2 1 259.353 0.872 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207703055 803440022 /nfs/dbraw/zinc/44/00/22/803440022.db2.gz IUOJMYNNVRJXCF-JHJVBQTASA-N 2 1 253.390 0.949 20 30 CCEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207735083 803444615 /nfs/dbraw/zinc/44/46/15/803444615.db2.gz VNNMXWBVKLIWNS-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207735083 803444617 /nfs/dbraw/zinc/44/46/17/803444617.db2.gz VNNMXWBVKLIWNS-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCN1CC[N@@H+](C)C2(CCN(CC[NH+](C)C)CC2)C1=O ZINC001208127410 803492664 /nfs/dbraw/zinc/49/26/64/803492664.db2.gz POPJFRGNBGMWFR-UHFFFAOYSA-N 2 1 294.443 0.343 20 30 CCEDMP C=CCN1CC[N@H+](C)C2(CCN(CC[NH+](C)C)CC2)C1=O ZINC001208127410 803492668 /nfs/dbraw/zinc/49/26/68/803492668.db2.gz POPJFRGNBGMWFR-UHFFFAOYSA-N 2 1 294.443 0.343 20 30 CCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208491886 803517618 /nfs/dbraw/zinc/51/76/18/803517618.db2.gz AIHNVBSFYQKWLX-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001209643715 803620186 /nfs/dbraw/zinc/62/01/86/803620186.db2.gz VUILSQIYDNVWST-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP N#Cc1nn(-c2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1N ZINC001210263321 803644214 /nfs/dbraw/zinc/64/42/14/803644214.db2.gz YDNKRDZVFXEXGM-UHFFFAOYSA-N 2 1 269.312 0.131 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371574 803679287 /nfs/dbraw/zinc/67/92/87/803679287.db2.gz SPSQGUMMIZOCFQ-ZIAGYGMSSA-N 2 1 265.401 0.786 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211371574 803679292 /nfs/dbraw/zinc/67/92/92/803679292.db2.gz SPSQGUMMIZOCFQ-ZIAGYGMSSA-N 2 1 265.401 0.786 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211371574 803679297 /nfs/dbraw/zinc/67/92/97/803679297.db2.gz SPSQGUMMIZOCFQ-ZIAGYGMSSA-N 2 1 265.401 0.786 20 30 CCEDMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])N[C@@H](C)COC)C1 ZINC000303883315 803759524 /nfs/dbraw/zinc/75/95/24/803759524.db2.gz MBEUGKQRECDHDI-RYUDHWBXSA-N 2 1 256.394 0.658 20 30 CCEDMP N#Cc1ccc([C@@H](O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000402140039 803812831 /nfs/dbraw/zinc/81/28/31/803812831.db2.gz IQGIIZTUWFTPGT-CABCVRRESA-N 2 1 275.352 0.641 20 30 CCEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000402140039 803812841 /nfs/dbraw/zinc/81/28/41/803812841.db2.gz IQGIIZTUWFTPGT-CABCVRRESA-N 2 1 275.352 0.641 20 30 CCEDMP N#Cc1ccc([C@@H](O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000402140043 803814171 /nfs/dbraw/zinc/81/41/71/803814171.db2.gz IQGIIZTUWFTPGT-GJZGRUSLSA-N 2 1 275.352 0.641 20 30 CCEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000402140043 803814179 /nfs/dbraw/zinc/81/41/79/803814179.db2.gz IQGIIZTUWFTPGT-GJZGRUSLSA-N 2 1 275.352 0.641 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001276725803 803822078 /nfs/dbraw/zinc/82/20/78/803822078.db2.gz JJVXAGAJOAWVEC-FPCVCCKLSA-N 2 1 289.423 0.646 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001276725803 803822089 /nfs/dbraw/zinc/82/20/89/803822089.db2.gz JJVXAGAJOAWVEC-FPCVCCKLSA-N 2 1 289.423 0.646 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001276725803 803822097 /nfs/dbraw/zinc/82/20/97/803822097.db2.gz JJVXAGAJOAWVEC-FPCVCCKLSA-N 2 1 289.423 0.646 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816009 804427324 /nfs/dbraw/zinc/42/73/24/804427324.db2.gz UUVIYTVLUYREFY-CABCVRRESA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816009 804427328 /nfs/dbraw/zinc/42/73/28/804427328.db2.gz UUVIYTVLUYREFY-CABCVRRESA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816009 804427332 /nfs/dbraw/zinc/42/73/32/804427332.db2.gz UUVIYTVLUYREFY-CABCVRRESA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219868849 804435648 /nfs/dbraw/zinc/43/56/48/804435648.db2.gz BNBXRCJOLRSBSS-MCIONIFRSA-N 2 1 283.416 0.454 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001272152165 815031278 /nfs/dbraw/zinc/03/12/78/815031278.db2.gz QHUQBCIECRGAFC-CYBMUJFWSA-N 2 1 251.374 0.352 20 30 CCEDMP C#CC[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001272152165 815031281 /nfs/dbraw/zinc/03/12/81/815031281.db2.gz QHUQBCIECRGAFC-CYBMUJFWSA-N 2 1 251.374 0.352 20 30 CCEDMP C#CC[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001272152165 815031287 /nfs/dbraw/zinc/03/12/87/815031287.db2.gz QHUQBCIECRGAFC-CYBMUJFWSA-N 2 1 251.374 0.352 20 30 CCEDMP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001276821945 804797636 /nfs/dbraw/zinc/79/76/36/804797636.db2.gz VSMFNDPTMAMDEX-KBPBESRZSA-N 2 1 283.416 0.718 20 30 CCEDMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC#CC[NH+](C)C ZINC001221437542 804817217 /nfs/dbraw/zinc/81/72/17/804817217.db2.gz WEVGZYHHGAEYCL-HUUCEWRRSA-N 2 1 294.443 0.971 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001278415867 807097454 /nfs/dbraw/zinc/09/74/54/807097454.db2.gz JVZJETNGGPNMSQ-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CC[NH2+]C ZINC001246302946 807215649 /nfs/dbraw/zinc/21/56/49/807215649.db2.gz FYJBENZCTVTOIY-STQMWFEESA-N 3 1 271.405 0.801 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001246310031 807218524 /nfs/dbraw/zinc/21/85/24/807218524.db2.gz YCYCSBGJZQOKIF-KGLIPLIRSA-N 3 1 283.416 0.945 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001278689451 807991503 /nfs/dbraw/zinc/99/15/03/807991503.db2.gz BJRSQEWICOYGAH-ZDUSSCGKSA-N 2 1 265.401 0.786 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@@H](O)C1 ZINC001083506122 815178537 /nfs/dbraw/zinc/17/85/37/815178537.db2.gz QOMDYVMMNIYPHQ-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083506122 815178539 /nfs/dbraw/zinc/17/85/39/815178539.db2.gz QOMDYVMMNIYPHQ-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083506122 815178541 /nfs/dbraw/zinc/17/85/41/815178541.db2.gz QOMDYVMMNIYPHQ-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CCC(C#N)CC1 ZINC001256956377 808572598 /nfs/dbraw/zinc/57/25/98/808572598.db2.gz QTIMMKYWEJXBCI-MCIGGMRASA-N 2 1 295.387 0.463 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC001076107523 815244744 /nfs/dbraw/zinc/24/47/44/815244744.db2.gz ZUWHQCFYWUZFNS-LSDHHAIUSA-N 2 1 286.379 0.829 20 30 CCEDMP C#CC[NH2+]CC(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001263300364 809505550 /nfs/dbraw/zinc/50/55/50/809505550.db2.gz MNPXIUBWFOOXAC-IYBDPMFKSA-N 2 1 275.396 0.544 20 30 CCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001263828055 809581027 /nfs/dbraw/zinc/58/10/27/809581027.db2.gz YYAVZCFVEMOVIF-ZNMIVQPWSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264042099 809625612 /nfs/dbraw/zinc/62/56/12/809625612.db2.gz OZQNRABVVFWFRM-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264042099 809625614 /nfs/dbraw/zinc/62/56/14/809625614.db2.gz OZQNRABVVFWFRM-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001264174028 809636615 /nfs/dbraw/zinc/63/66/15/809636615.db2.gz ORZONGYLVCRGHB-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001264538855 809662246 /nfs/dbraw/zinc/66/22/46/809662246.db2.gz NCHSZAUDCQKVTJ-RRFJBIMHSA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001264728147 809671721 /nfs/dbraw/zinc/67/17/21/809671721.db2.gz DOTSXYJGEAMWJO-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001264728147 809671724 /nfs/dbraw/zinc/67/17/24/809671724.db2.gz DOTSXYJGEAMWJO-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001264728147 809671726 /nfs/dbraw/zinc/67/17/26/809671726.db2.gz DOTSXYJGEAMWJO-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265289801 809748880 /nfs/dbraw/zinc/74/88/80/809748880.db2.gz CWVBHMNUJAUTMO-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265289801 809748881 /nfs/dbraw/zinc/74/88/81/809748881.db2.gz CWVBHMNUJAUTMO-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001265289801 809748882 /nfs/dbraw/zinc/74/88/82/809748882.db2.gz CWVBHMNUJAUTMO-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001265289801 809748883 /nfs/dbraw/zinc/74/88/83/809748883.db2.gz CWVBHMNUJAUTMO-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001265812885 809860424 /nfs/dbraw/zinc/86/04/24/809860424.db2.gz GHFQQKKRTULSJA-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC)C[C@H]32)CC1 ZINC001076605745 815319547 /nfs/dbraw/zinc/31/95/47/815319547.db2.gz QRCJUKHBAZKZIM-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001265926836 809896128 /nfs/dbraw/zinc/89/61/28/809896128.db2.gz MCXFYUOADJQXMM-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP CC[C@H](C(=O)NCCC[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001265953781 809904364 /nfs/dbraw/zinc/90/43/64/809904364.db2.gz FLRLVFWZRYECOQ-CQSZACIVSA-N 2 1 283.416 0.415 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCCF ZINC001266151652 809949434 /nfs/dbraw/zinc/94/94/34/809949434.db2.gz GMSMPIQNPDVNBZ-KGLIPLIRSA-N 2 1 283.391 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCCF ZINC001266151652 809949436 /nfs/dbraw/zinc/94/94/36/809949436.db2.gz GMSMPIQNPDVNBZ-KGLIPLIRSA-N 2 1 283.391 0.928 20 30 CCEDMP C=CCC[N@H+](CCC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001267312282 811135778 /nfs/dbraw/zinc/13/57/78/811135778.db2.gz VOVHHCDUVGMGKH-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[N@@H+](CCC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001267312282 811135783 /nfs/dbraw/zinc/13/57/83/811135783.db2.gz VOVHHCDUVGMGKH-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[NH+](CCC)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267312282 811135790 /nfs/dbraw/zinc/13/57/90/811135790.db2.gz VOVHHCDUVGMGKH-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[NH+](CCC)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267312282 811135791 /nfs/dbraw/zinc/13/57/91/811135791.db2.gz VOVHHCDUVGMGKH-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP CC#CC[N@@H+](CCNC(=O)CCc1cncn1C)C1CC1 ZINC001267337345 811174328 /nfs/dbraw/zinc/17/43/28/811174328.db2.gz RDDPVBBRSDUWAO-UHFFFAOYSA-N 2 1 288.395 0.957 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267558601 811442940 /nfs/dbraw/zinc/44/29/40/811442940.db2.gz CMVRZJJEODCIAY-GOEBONIOSA-N 2 1 289.423 0.790 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267629901 811587991 /nfs/dbraw/zinc/58/79/91/811587991.db2.gz QJZNLRHBVSAPAO-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267629901 811587998 /nfs/dbraw/zinc/58/79/98/811587998.db2.gz QJZNLRHBVSAPAO-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001267717489 811678707 /nfs/dbraw/zinc/67/87/07/811678707.db2.gz WWMYJIUFYRDJAV-GJZGRUSLSA-N 2 1 293.411 0.570 20 30 CCEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001267717489 811678714 /nfs/dbraw/zinc/67/87/14/811678714.db2.gz WWMYJIUFYRDJAV-GJZGRUSLSA-N 2 1 293.411 0.570 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001267997971 811933346 /nfs/dbraw/zinc/93/33/46/811933346.db2.gz HYCIGJMABMCBRT-QWHCGFSZSA-N 2 1 253.390 0.999 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268054921 812145891 /nfs/dbraw/zinc/14/58/91/812145891.db2.gz MUXUCCJGIRTWBG-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083602510 815530459 /nfs/dbraw/zinc/53/04/59/815530459.db2.gz ZEMJRIJDMYYMQJ-KGLIPLIRSA-N 2 1 293.411 0.352 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001028551333 812831024 /nfs/dbraw/zinc/83/10/24/812831024.db2.gz MMYGSPYGSLYOTF-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028551333 812831032 /nfs/dbraw/zinc/83/10/32/812831032.db2.gz MMYGSPYGSLYOTF-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCOC)C1 ZINC001028600557 812955474 /nfs/dbraw/zinc/95/54/74/812955474.db2.gz ADUPGBJAABAFQL-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCOC)C1 ZINC001028600557 812955480 /nfs/dbraw/zinc/95/54/80/812955480.db2.gz ADUPGBJAABAFQL-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCOC)C1 ZINC001028600557 812955485 /nfs/dbraw/zinc/95/54/85/812955485.db2.gz ADUPGBJAABAFQL-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCOC)C1 ZINC001028600557 812955488 /nfs/dbraw/zinc/95/54/88/812955488.db2.gz ADUPGBJAABAFQL-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCOC)C1 ZINC001028600557 812955492 /nfs/dbraw/zinc/95/54/92/812955492.db2.gz ADUPGBJAABAFQL-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001268756374 813069634 /nfs/dbraw/zinc/06/96/34/813069634.db2.gz JMYXHZNNHYXIFX-KBPBESRZSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268756374 813069639 /nfs/dbraw/zinc/06/96/39/813069639.db2.gz JMYXHZNNHYXIFX-KBPBESRZSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268756374 813069650 /nfs/dbraw/zinc/06/96/50/813069650.db2.gz JMYXHZNNHYXIFX-KBPBESRZSA-N 2 1 281.400 0.024 20 30 CCEDMP C#CC[NH2+]CCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001268958555 813158990 /nfs/dbraw/zinc/15/89/90/813158990.db2.gz LYSJWDQNEJHLDE-OKILXGFUSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001269193883 813256117 /nfs/dbraw/zinc/25/61/17/813256117.db2.gz VHDOCFAIKQZTCX-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001269268543 813299309 /nfs/dbraw/zinc/29/93/09/813299309.db2.gz NCTRBBMMCCZSAZ-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001269393687 813355182 /nfs/dbraw/zinc/35/51/82/813355182.db2.gz JLHAAECCYLKVRE-UONOGXRCSA-N 2 1 295.427 0.910 20 30 CCEDMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001269393687 813355189 /nfs/dbraw/zinc/35/51/89/813355189.db2.gz JLHAAECCYLKVRE-UONOGXRCSA-N 2 1 295.427 0.910 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001269540867 813408994 /nfs/dbraw/zinc/40/89/94/813408994.db2.gz PKSDDIQDWXBUPB-BETUJISGSA-N 2 1 263.385 0.731 20 30 CCEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001270304092 813715974 /nfs/dbraw/zinc/71/59/74/813715974.db2.gz OBGYASRBQAFKCG-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001028997762 813739455 /nfs/dbraw/zinc/73/94/55/813739455.db2.gz ZKPBEGVABNRVCG-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028997762 813739459 /nfs/dbraw/zinc/73/94/59/813739459.db2.gz ZKPBEGVABNRVCG-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028997762 813739466 /nfs/dbraw/zinc/73/94/66/813739466.db2.gz ZKPBEGVABNRVCG-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028997762 813739473 /nfs/dbraw/zinc/73/94/73/813739473.db2.gz ZKPBEGVABNRVCG-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028997762 813739479 /nfs/dbraw/zinc/73/94/79/813739479.db2.gz ZKPBEGVABNRVCG-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001271459953 814454492 /nfs/dbraw/zinc/45/44/92/814454492.db2.gz XKBPWIMICWJXPU-UONOGXRCSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001271538597 814471896 /nfs/dbraw/zinc/47/18/96/814471896.db2.gz ACXZKUSTMDORIK-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088983340 816203850 /nfs/dbraw/zinc/20/38/50/816203850.db2.gz RRHAQCPPIWZCLQ-OLZOCXBDSA-N 2 1 263.385 0.847 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001089053059 816226049 /nfs/dbraw/zinc/22/60/49/816226049.db2.gz IZLWFSWSICNBES-RDBSUJKOSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001089053059 816226053 /nfs/dbraw/zinc/22/60/53/816226053.db2.gz IZLWFSWSICNBES-RDBSUJKOSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053059 816226058 /nfs/dbraw/zinc/22/60/58/816226058.db2.gz IZLWFSWSICNBES-RDBSUJKOSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053059 816226061 /nfs/dbraw/zinc/22/60/61/816226061.db2.gz IZLWFSWSICNBES-RDBSUJKOSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001089050245 816226410 /nfs/dbraw/zinc/22/64/10/816226410.db2.gz YJQHHMSXMHZCSW-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001089050245 816226416 /nfs/dbraw/zinc/22/64/16/816226416.db2.gz YJQHHMSXMHZCSW-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089050245 816226421 /nfs/dbraw/zinc/22/64/21/816226421.db2.gz YJQHHMSXMHZCSW-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089050245 816226426 /nfs/dbraw/zinc/22/64/26/816226426.db2.gz YJQHHMSXMHZCSW-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046217790 816443688 /nfs/dbraw/zinc/44/36/88/816443688.db2.gz HVINSESKPDMZNH-HIFRSBDPSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCF)[C@H](C)C1 ZINC001106266574 816700715 /nfs/dbraw/zinc/70/07/15/816700715.db2.gz RGSBKWXGOQNUCT-KFWWJZLASA-N 2 1 295.402 0.738 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCF)[C@H](C)C1 ZINC001106266574 816700720 /nfs/dbraw/zinc/70/07/20/816700720.db2.gz RGSBKWXGOQNUCT-KFWWJZLASA-N 2 1 295.402 0.738 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1cnc[nH]1 ZINC001089868513 817573919 /nfs/dbraw/zinc/57/39/19/817573919.db2.gz CTDRAHGIVTXEHG-XZDPQHSOSA-N 2 1 298.390 0.754 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778859 817579064 /nfs/dbraw/zinc/57/90/64/817579064.db2.gz ZZMXLJWZVVKRBO-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778859 817579072 /nfs/dbraw/zinc/57/90/72/817579072.db2.gz ZZMXLJWZVVKRBO-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778859 817579075 /nfs/dbraw/zinc/57/90/75/817579075.db2.gz ZZMXLJWZVVKRBO-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001032134287 817660608 /nfs/dbraw/zinc/66/06/08/817660608.db2.gz RRJDMPUUATZPAJ-UHFFFAOYSA-N 2 1 286.379 0.833 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220555 817730810 /nfs/dbraw/zinc/73/08/10/817730810.db2.gz JCTGDWALKQMDAK-STQMWFEESA-N 2 1 269.389 0.378 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220555 817730818 /nfs/dbraw/zinc/73/08/18/817730818.db2.gz JCTGDWALKQMDAK-STQMWFEESA-N 2 1 269.389 0.378 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001052252452 818176986 /nfs/dbraw/zinc/17/69/86/818176986.db2.gz UDIHRCDYVXRHDU-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052252452 818176990 /nfs/dbraw/zinc/17/69/90/818176990.db2.gz UDIHRCDYVXRHDU-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052252452 818176996 /nfs/dbraw/zinc/17/69/96/818176996.db2.gz UDIHRCDYVXRHDU-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCN1CC[C@@]2(CCC[N@H+]2CC2CC[NH2+]CC2)C1=O ZINC001273031273 818489415 /nfs/dbraw/zinc/48/94/15/818489415.db2.gz TZYKYFXBSCJBCQ-INIZCTEOSA-N 2 1 275.396 0.686 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033596285 818844007 /nfs/dbraw/zinc/84/40/07/818844007.db2.gz XMKBILYYWFPAOM-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033596285 818844012 /nfs/dbraw/zinc/84/40/12/818844012.db2.gz XMKBILYYWFPAOM-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033596285 818844014 /nfs/dbraw/zinc/84/40/14/818844014.db2.gz XMKBILYYWFPAOM-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033660517 818881102 /nfs/dbraw/zinc/88/11/02/818881102.db2.gz HXDFBENPZRDQIX-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033660517 818881109 /nfs/dbraw/zinc/88/11/09/818881109.db2.gz HXDFBENPZRDQIX-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033660517 818881118 /nfs/dbraw/zinc/88/11/18/818881118.db2.gz HXDFBENPZRDQIX-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033660593 818882481 /nfs/dbraw/zinc/88/24/81/818882481.db2.gz IVHARCJWWDSDTA-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033660593 818882483 /nfs/dbraw/zinc/88/24/83/818882483.db2.gz IVHARCJWWDSDTA-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033660593 818882488 /nfs/dbraw/zinc/88/24/88/818882488.db2.gz IVHARCJWWDSDTA-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033831715 818962024 /nfs/dbraw/zinc/96/20/24/818962024.db2.gz XJLHPEJLWKDIOQ-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034040931 819042435 /nfs/dbraw/zinc/04/24/35/819042435.db2.gz ZVXZBOFZRXJNKI-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034040931 819042437 /nfs/dbraw/zinc/04/24/37/819042437.db2.gz ZVXZBOFZRXJNKI-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034040931 819042440 /nfs/dbraw/zinc/04/24/40/819042440.db2.gz ZVXZBOFZRXJNKI-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035794213 819626081 /nfs/dbraw/zinc/62/60/81/819626081.db2.gz ANCCXZIBWMYFNM-LSDHHAIUSA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908396 820215853 /nfs/dbraw/zinc/21/58/53/820215853.db2.gz AVIUDRIAYBEMTL-CABCVRRESA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908396 820215861 /nfs/dbraw/zinc/21/58/61/820215861.db2.gz AVIUDRIAYBEMTL-CABCVRRESA-N 2 1 295.427 0.454 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001080997413 820669084 /nfs/dbraw/zinc/66/90/84/820669084.db2.gz CCPACBBTNKMRCB-GDBMZVCRSA-N 2 1 287.407 0.401 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081675997 820815750 /nfs/dbraw/zinc/81/57/50/820815750.db2.gz PTWMXNBRJVKEGH-RBSFLKMASA-N 2 1 293.411 0.330 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081675997 820815762 /nfs/dbraw/zinc/81/57/62/820815762.db2.gz PTWMXNBRJVKEGH-RBSFLKMASA-N 2 1 293.411 0.330 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001082595251 821005550 /nfs/dbraw/zinc/00/55/50/821005550.db2.gz CTRFBNBJEWQYJO-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355056 821277566 /nfs/dbraw/zinc/27/75/66/821277566.db2.gz CPGKUTIEABYTRL-KLHDSHLOSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355056 821277576 /nfs/dbraw/zinc/27/75/76/821277576.db2.gz CPGKUTIEABYTRL-KLHDSHLOSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355056 821277582 /nfs/dbraw/zinc/27/75/82/821277582.db2.gz CPGKUTIEABYTRL-KLHDSHLOSA-N 2 1 289.423 0.883 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830454 821403960 /nfs/dbraw/zinc/40/39/60/821403960.db2.gz WBKZUKBIIDLZIO-MGPQQGTHSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830454 821403964 /nfs/dbraw/zinc/40/39/64/821403964.db2.gz WBKZUKBIIDLZIO-MGPQQGTHSA-N 2 1 263.385 0.657 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084831352 821405186 /nfs/dbraw/zinc/40/51/86/821405186.db2.gz IKMHRKXDLMICNN-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084831352 821405191 /nfs/dbraw/zinc/40/51/91/821405191.db2.gz IKMHRKXDLMICNN-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084831352 821405193 /nfs/dbraw/zinc/40/51/93/821405193.db2.gz IKMHRKXDLMICNN-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001085332641 821663300 /nfs/dbraw/zinc/66/33/00/821663300.db2.gz HCYWULMJVAIOFE-RRFJBIMHSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085605930 821846224 /nfs/dbraw/zinc/84/62/24/821846224.db2.gz YCPVTFJWHJHFFX-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085605930 821846233 /nfs/dbraw/zinc/84/62/33/821846233.db2.gz YCPVTFJWHJHFFX-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085605930 821846245 /nfs/dbraw/zinc/84/62/45/821846245.db2.gz YCPVTFJWHJHFFX-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085972647 822046140 /nfs/dbraw/zinc/04/61/40/822046140.db2.gz FIIBEEPHHWQWMK-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085972647 822046148 /nfs/dbraw/zinc/04/61/48/822046148.db2.gz FIIBEEPHHWQWMK-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085972647 822046155 /nfs/dbraw/zinc/04/61/55/822046155.db2.gz FIIBEEPHHWQWMK-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085972647 822046165 /nfs/dbraw/zinc/04/61/65/822046165.db2.gz FIIBEEPHHWQWMK-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085972647 822046175 /nfs/dbraw/zinc/04/61/75/822046175.db2.gz FIIBEEPHHWQWMK-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085972673 822046996 /nfs/dbraw/zinc/04/69/96/822046996.db2.gz GCQTXZISQQANIB-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085972673 822047004 /nfs/dbraw/zinc/04/70/04/822047004.db2.gz GCQTXZISQQANIB-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085982489 822054955 /nfs/dbraw/zinc/05/49/55/822054955.db2.gz LYZUZEDNACCZOJ-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001085982489 822054960 /nfs/dbraw/zinc/05/49/60/822054960.db2.gz LYZUZEDNACCZOJ-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085982489 822054967 /nfs/dbraw/zinc/05/49/67/822054967.db2.gz LYZUZEDNACCZOJ-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085982489 822054974 /nfs/dbraw/zinc/05/49/74/822054974.db2.gz LYZUZEDNACCZOJ-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129326771 822127623 /nfs/dbraw/zinc/12/76/23/822127623.db2.gz CRJVZTRDELYEDE-OAHLLOKOSA-N 2 1 295.427 0.320 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100082688 822253600 /nfs/dbraw/zinc/25/36/00/822253600.db2.gz GYSGSTJMCOKPMQ-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082688 822253604 /nfs/dbraw/zinc/25/36/04/822253604.db2.gz GYSGSTJMCOKPMQ-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCF ZINC001129771088 837558101 /nfs/dbraw/zinc/55/81/01/837558101.db2.gz QOPDSFZEFZQBEW-LBPRGKRZSA-N 2 1 255.337 0.149 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCF ZINC001129771088 837558106 /nfs/dbraw/zinc/55/81/06/837558106.db2.gz QOPDSFZEFZQBEW-LBPRGKRZSA-N 2 1 255.337 0.149 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130186524 837716709 /nfs/dbraw/zinc/71/67/09/837716709.db2.gz HZPYDTSBHLGDGM-GHMZBOCLSA-N 2 1 275.780 0.164 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130186524 837716721 /nfs/dbraw/zinc/71/67/21/837716721.db2.gz HZPYDTSBHLGDGM-GHMZBOCLSA-N 2 1 275.780 0.164 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109978941 836751194 /nfs/dbraw/zinc/75/11/94/836751194.db2.gz MLMVWLCDVWNGJI-ILXRZTDVSA-N 2 1 293.411 0.309 20 30 CCEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086664593 838038960 /nfs/dbraw/zinc/03/89/60/838038960.db2.gz WCLSWMBHCJSNIU-MJBXVCDLSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086664593 838038977 /nfs/dbraw/zinc/03/89/77/838038977.db2.gz WCLSWMBHCJSNIU-MJBXVCDLSA-N 2 1 281.400 0.378 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266315 838349199 /nfs/dbraw/zinc/34/91/99/838349199.db2.gz WPAYUGLTXNUTAA-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266315 838349204 /nfs/dbraw/zinc/34/92/04/838349204.db2.gz WPAYUGLTXNUTAA-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273638 838351571 /nfs/dbraw/zinc/35/15/71/838351571.db2.gz IBOXDKOECGKIAE-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273638 838351574 /nfs/dbraw/zinc/35/15/74/838351574.db2.gz IBOXDKOECGKIAE-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896091 838769564 /nfs/dbraw/zinc/76/95/64/838769564.db2.gz CCWVWYRSVLFOAX-UHFFFAOYSA-N 2 1 251.374 0.447 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC)C1 ZINC001086721357 838956698 /nfs/dbraw/zinc/95/66/98/838956698.db2.gz UWSNRMIYCCNSKX-ZNMIVQPWSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC)C1 ZINC001086721357 838956704 /nfs/dbraw/zinc/95/67/04/838956704.db2.gz UWSNRMIYCCNSKX-ZNMIVQPWSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608116 839025484 /nfs/dbraw/zinc/02/54/84/839025484.db2.gz QXIPEZNFXGRITM-OLZOCXBDSA-N 2 1 265.401 0.977 20 30 CCEDMP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675572 839351136 /nfs/dbraw/zinc/35/11/36/839351136.db2.gz IPFYSBKMEUMJTF-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CCCN1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1=O ZINC001246344379 839813804 /nfs/dbraw/zinc/81/38/04/839813804.db2.gz JJRDOYNTZYPBJM-MCIONIFRSA-N 2 1 263.385 0.731 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001091201262 840130870 /nfs/dbraw/zinc/13/08/70/840130870.db2.gz JICKKQWVTRCXKD-NRXISQOPSA-N 2 1 293.411 0.213 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091530709 840252765 /nfs/dbraw/zinc/25/27/65/840252765.db2.gz FRROHXVRRSUWOF-FMKPAKJESA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091530709 840252776 /nfs/dbraw/zinc/25/27/76/840252776.db2.gz FRROHXVRRSUWOF-FMKPAKJESA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091530709 840252784 /nfs/dbraw/zinc/25/27/84/840252784.db2.gz FRROHXVRRSUWOF-FMKPAKJESA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001186362325 844541317 /nfs/dbraw/zinc/54/13/17/844541317.db2.gz IIUFPELDALLFHK-OAHLLOKOSA-N 2 1 293.411 0.313 20 30 CCEDMP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CCC1(C)C ZINC000712622885 841101639 /nfs/dbraw/zinc/10/16/39/841101639.db2.gz QVSQSGSJEPCBAK-GFCCVEGCSA-N 2 1 266.389 0.950 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773665 841192838 /nfs/dbraw/zinc/19/28/38/841192838.db2.gz QOSMWIPHIWBMTG-HUUCEWRRSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773665 841192841 /nfs/dbraw/zinc/19/28/41/841192841.db2.gz QOSMWIPHIWBMTG-HUUCEWRRSA-N 2 1 286.379 0.748 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171770017 841762259 /nfs/dbraw/zinc/76/22/59/841762259.db2.gz JSHQRPCHFHVJQA-CYBMUJFWSA-N 2 1 298.431 0.115 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001177344604 842550833 /nfs/dbraw/zinc/55/08/33/842550833.db2.gz MVALIOUZUNKZOK-UHFFFAOYSA-N 2 1 273.380 0.848 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001177344604 842550842 /nfs/dbraw/zinc/55/08/42/842550842.db2.gz MVALIOUZUNKZOK-UHFFFAOYSA-N 2 1 273.380 0.848 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045189 842736087 /nfs/dbraw/zinc/73/60/87/842736087.db2.gz GBWVJSPVDWKLCW-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@@H]1C ZINC001179860963 843075444 /nfs/dbraw/zinc/07/54/44/843075444.db2.gz DYJBVMVAJNQLTO-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048424 843546313 /nfs/dbraw/zinc/54/63/13/843546313.db2.gz BAFLHQUVMXSPDR-JTQLQIEISA-N 2 1 290.205 0.553 20 30 CCEDMP C#CCCC[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273541510 844731402 /nfs/dbraw/zinc/73/14/02/844731402.db2.gz CQLJJJCQBDQUIC-MRXNPFEDSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956382 845004685 /nfs/dbraw/zinc/00/46/85/845004685.db2.gz HLZDYOYJBYKBKR-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188985948 845014150 /nfs/dbraw/zinc/01/41/50/845014150.db2.gz YCADTCJIXLKIMV-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237711 845372388 /nfs/dbraw/zinc/37/23/88/845372388.db2.gz DTSDYFRXTTVCOW-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237711 845372392 /nfs/dbraw/zinc/37/23/92/845372392.db2.gz DTSDYFRXTTVCOW-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237711 845372396 /nfs/dbraw/zinc/37/23/96/845372396.db2.gz DTSDYFRXTTVCOW-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001192868524 845917643 /nfs/dbraw/zinc/91/76/43/845917643.db2.gz YNDYXJMPEWLFEE-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192868524 845917649 /nfs/dbraw/zinc/91/76/49/845917649.db2.gz YNDYXJMPEWLFEE-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192868524 845917653 /nfs/dbraw/zinc/91/76/53/845917653.db2.gz YNDYXJMPEWLFEE-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192866709 845917969 /nfs/dbraw/zinc/91/79/69/845917969.db2.gz NPVIIMODFPXKDQ-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192866709 845917974 /nfs/dbraw/zinc/91/79/74/845917974.db2.gz NPVIIMODFPXKDQ-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948910 845932447 /nfs/dbraw/zinc/93/24/47/845932447.db2.gz XQGNKHOFMCCORY-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462801 846081899 /nfs/dbraw/zinc/08/18/99/846081899.db2.gz PZSCIZWQALCBHL-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193462801 846081904 /nfs/dbraw/zinc/08/19/04/846081904.db2.gz PZSCIZWQALCBHL-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193462801 846081911 /nfs/dbraw/zinc/08/19/11/846081911.db2.gz PZSCIZWQALCBHL-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001273709954 846656230 /nfs/dbraw/zinc/65/62/30/846656230.db2.gz DFMAFNYORTWCEW-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196131966 846689200 /nfs/dbraw/zinc/68/92/00/846689200.db2.gz REWKTVQXLUNMFU-RBSFLKMASA-N 2 1 295.427 0.291 20 30 CCEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199943352 847476098 /nfs/dbraw/zinc/47/60/98/847476098.db2.gz IGOAMHOCCPDBTE-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943352 847476101 /nfs/dbraw/zinc/47/61/01/847476101.db2.gz IGOAMHOCCPDBTE-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCN1CC[C@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273827342 847613192 /nfs/dbraw/zinc/61/31/92/847613192.db2.gz QISQBDBTUWBYQA-MRXNPFEDSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CCN1CC[C@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273827342 847613200 /nfs/dbraw/zinc/61/32/00/847613200.db2.gz QISQBDBTUWBYQA-MRXNPFEDSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201924521 847837418 /nfs/dbraw/zinc/83/74/18/847837418.db2.gz NRSWHVZAJXFUMR-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114357874 848026379 /nfs/dbraw/zinc/02/63/79/848026379.db2.gz LHMPWVCQAIGOND-RFQIPJPRSA-N 2 1 283.391 0.899 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001274771679 848563883 /nfs/dbraw/zinc/56/38/83/848563883.db2.gz DRIPFMUMKZWZAH-GXTWGEPZSA-N 2 1 288.395 0.872 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114744044 849383673 /nfs/dbraw/zinc/38/36/73/849383673.db2.gz VQIJMFHEIQVWFU-ITGUQSILSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114741867 849383708 /nfs/dbraw/zinc/38/37/08/849383708.db2.gz XJNJPUYQGDYQNI-WDNDVIMCSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038919990 850083857 /nfs/dbraw/zinc/08/38/57/850083857.db2.gz MJYJOQTZZRVBRA-ZDUSSCGKSA-N 2 1 263.385 0.849 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038919990 850083864 /nfs/dbraw/zinc/08/38/64/850083864.db2.gz MJYJOQTZZRVBRA-ZDUSSCGKSA-N 2 1 263.385 0.849 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001046423673 851497238 /nfs/dbraw/zinc/49/72/38/851497238.db2.gz OMWMBFZQXZFLOC-XJKSGUPXSA-N 2 1 286.379 0.659 20 30 CCEDMP C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001046423673 851497239 /nfs/dbraw/zinc/49/72/39/851497239.db2.gz OMWMBFZQXZFLOC-XJKSGUPXSA-N 2 1 286.379 0.659 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC)C2)CC1 ZINC001046849199 851630418 /nfs/dbraw/zinc/63/04/18/851630418.db2.gz CHRVYHPHYCFIAD-MRXNPFEDSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046992938 851653807 /nfs/dbraw/zinc/65/38/07/851653807.db2.gz HOFPUZKEBBUYDD-QWHCGFSZSA-N 2 1 299.365 0.645 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046992938 851653812 /nfs/dbraw/zinc/65/38/12/851653812.db2.gz HOFPUZKEBBUYDD-QWHCGFSZSA-N 2 1 299.365 0.645 20 30 CCEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046992938 851653813 /nfs/dbraw/zinc/65/38/13/851653813.db2.gz HOFPUZKEBBUYDD-QWHCGFSZSA-N 2 1 299.365 0.645 20 30 CCEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046992938 851653815 /nfs/dbraw/zinc/65/38/15/851653815.db2.gz HOFPUZKEBBUYDD-QWHCGFSZSA-N 2 1 299.365 0.645 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001047528481 851800623 /nfs/dbraw/zinc/80/06/23/851800623.db2.gz RSYFZARQFVIOKB-KKUMJFAQSA-N 2 1 295.427 0.408 20 30 CCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001047527283 851802274 /nfs/dbraw/zinc/80/22/74/851802274.db2.gz AVPVHQBAHAWGHD-KKUMJFAQSA-N 2 1 295.427 0.408 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049901410 852392505 /nfs/dbraw/zinc/39/25/05/852392505.db2.gz PCDCMKQYGIWFSD-HUUCEWRRSA-N 2 1 275.396 0.781 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001054007803 852866891 /nfs/dbraw/zinc/86/68/91/852866891.db2.gz MUUGHEYBGQYJIW-KGLIPLIRSA-N 2 1 293.411 0.474 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001054007803 852866899 /nfs/dbraw/zinc/86/68/99/852866899.db2.gz MUUGHEYBGQYJIW-KGLIPLIRSA-N 2 1 293.411 0.474 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001054833899 853021242 /nfs/dbraw/zinc/02/12/42/853021242.db2.gz NAODVOXPNMFBGF-SMDDNHRTSA-N 2 1 292.383 0.972 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753292 853423618 /nfs/dbraw/zinc/42/36/18/853423618.db2.gz HLXBJDKFJNDOCB-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753291 853423798 /nfs/dbraw/zinc/42/37/98/853423798.db2.gz HLXBJDKFJNDOCB-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052386715 853744403 /nfs/dbraw/zinc/74/44/03/853744403.db2.gz QZWOMLHBPDJFIL-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072751986 854457547 /nfs/dbraw/zinc/45/75/47/854457547.db2.gz OJYPVGVYVCNNCN-ZIAGYGMSSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001072751986 854457549 /nfs/dbraw/zinc/45/75/49/854457549.db2.gz OJYPVGVYVCNNCN-ZIAGYGMSSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001072751986 854457551 /nfs/dbraw/zinc/45/75/51/854457551.db2.gz OJYPVGVYVCNNCN-ZIAGYGMSSA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001072851187 854479507 /nfs/dbraw/zinc/47/95/07/854479507.db2.gz NGBBEVJRAWZQGT-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073554563 854592487 /nfs/dbraw/zinc/59/24/87/854592487.db2.gz JAGDVIQIZJHYEX-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073554563 854592493 /nfs/dbraw/zinc/59/24/93/854592493.db2.gz JAGDVIQIZJHYEX-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073554563 854592499 /nfs/dbraw/zinc/59/24/99/854592499.db2.gz JAGDVIQIZJHYEX-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098401779 854862867 /nfs/dbraw/zinc/86/28/67/854862867.db2.gz OICXQMGNGABDIC-MCIONIFRSA-N 2 1 263.385 0.990 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098401779 854862870 /nfs/dbraw/zinc/86/28/70/854862870.db2.gz OICXQMGNGABDIC-MCIONIFRSA-N 2 1 263.385 0.990 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001098399098 854863704 /nfs/dbraw/zinc/86/37/04/854863704.db2.gz YAYQKZXGIJAJRI-DGAVXFQQSA-N 2 1 261.369 0.293 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001098399098 854863707 /nfs/dbraw/zinc/86/37/07/854863707.db2.gz YAYQKZXGIJAJRI-DGAVXFQQSA-N 2 1 261.369 0.293 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001098399098 854863710 /nfs/dbraw/zinc/86/37/10/854863710.db2.gz YAYQKZXGIJAJRI-DGAVXFQQSA-N 2 1 261.369 0.293 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001098399098 854863712 /nfs/dbraw/zinc/86/37/12/854863712.db2.gz YAYQKZXGIJAJRI-DGAVXFQQSA-N 2 1 261.369 0.293 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131555 855103853 /nfs/dbraw/zinc/10/38/53/855103853.db2.gz FIOHQENQKHXTID-CABCVRRESA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131555 855103855 /nfs/dbraw/zinc/10/38/55/855103855.db2.gz FIOHQENQKHXTID-CABCVRRESA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131555 855103856 /nfs/dbraw/zinc/10/38/56/855103856.db2.gz FIOHQENQKHXTID-CABCVRRESA-N 2 1 297.443 0.844 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115297978 855659562 /nfs/dbraw/zinc/65/95/62/855659562.db2.gz LEXNPDPQJNCXOF-FOLVSLTJSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120129638 856992275 /nfs/dbraw/zinc/99/22/75/856992275.db2.gz LHYJCHHNMCOLTB-CQSZACIVSA-N 2 1 277.412 0.980 20 30 CCEDMP CC#CC[NH+](CC)CCNC(=O)C[N@H+](C)CCC ZINC001481013479 892058525 /nfs/dbraw/zinc/05/85/25/892058525.db2.gz SWTZBCBQLOSEIW-UHFFFAOYSA-N 2 1 253.390 0.790 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)C[NH+](C)CCC ZINC001481013479 892058543 /nfs/dbraw/zinc/05/85/43/892058543.db2.gz SWTZBCBQLOSEIW-UHFFFAOYSA-N 2 1 253.390 0.790 20 30 CCEDMP CC#CC[N@H+](CC)CCNC(=O)C[NH+](C)CCC ZINC001481013479 892058563 /nfs/dbraw/zinc/05/85/63/892058563.db2.gz SWTZBCBQLOSEIW-UHFFFAOYSA-N 2 1 253.390 0.790 20 30 CCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001326044542 913717242 /nfs/dbraw/zinc/71/72/42/913717242.db2.gz FTSYUHYWRHKSPJ-CQSZACIVSA-N 2 1 283.416 0.457 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCCOC ZINC001482603302 894387368 /nfs/dbraw/zinc/38/73/68/894387368.db2.gz AILLIHJNOCIZEY-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCCOC ZINC001482603302 894387382 /nfs/dbraw/zinc/38/73/82/894387382.db2.gz AILLIHJNOCIZEY-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCOC ZINC001482603302 894387403 /nfs/dbraw/zinc/38/74/03/894387403.db2.gz AILLIHJNOCIZEY-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCOC ZINC001482603302 894387422 /nfs/dbraw/zinc/38/74/22/894387422.db2.gz AILLIHJNOCIZEY-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482819322 894623196 /nfs/dbraw/zinc/62/31/96/894623196.db2.gz DIZDUMOEAIHTIC-STQMWFEESA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482819322 894623202 /nfs/dbraw/zinc/62/32/02/894623202.db2.gz DIZDUMOEAIHTIC-STQMWFEESA-N 2 1 269.389 0.378 20 30 CCEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482841009 894645714 /nfs/dbraw/zinc/64/57/14/894645714.db2.gz BLKNDSGFIHXIOU-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001483319071 895444124 /nfs/dbraw/zinc/44/41/24/895444124.db2.gz HBUYRRCGRCWOSV-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483319071 895444132 /nfs/dbraw/zinc/44/41/32/895444132.db2.gz HBUYRRCGRCWOSV-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483319071 895444144 /nfs/dbraw/zinc/44/41/44/895444144.db2.gz HBUYRRCGRCWOSV-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001484544005 896464372 /nfs/dbraw/zinc/46/43/72/896464372.db2.gz SEKOGKBZLUARQN-OAHLLOKOSA-N 2 1 295.427 0.723 20 30 CCEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001484955987 896685087 /nfs/dbraw/zinc/68/50/87/896685087.db2.gz UYGJBPBTIKOCPO-AWEZNQCLSA-N 2 1 293.411 0.047 20 30 CCEDMP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC#CCOC)C1 ZINC001485529825 897098680 /nfs/dbraw/zinc/09/86/80/897098680.db2.gz VNTUMSUOGJVHMY-CQSZACIVSA-N 2 1 295.427 0.415 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC#CCOC)C1 ZINC001485529825 897098693 /nfs/dbraw/zinc/09/86/93/897098693.db2.gz VNTUMSUOGJVHMY-CQSZACIVSA-N 2 1 295.427 0.415 20 30 CCEDMP COCC#CC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001486483321 898897596 /nfs/dbraw/zinc/89/75/96/898897596.db2.gz HNGDZIVYOCHSKX-UHFFFAOYSA-N 2 1 295.427 0.555 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001280593218 900972644 /nfs/dbraw/zinc/97/26/44/900972644.db2.gz ABZZJTRITJOSDS-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001490954358 903266707 /nfs/dbraw/zinc/26/67/07/903266707.db2.gz GLFXIEJAVZUVNL-HDJSIYSDSA-N 2 1 292.383 0.631 20 30 CCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001491070704 903332175 /nfs/dbraw/zinc/33/21/75/903332175.db2.gz XMPMOUCZDOPKHD-KFWWJZLASA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001491220701 903453455 /nfs/dbraw/zinc/45/34/55/903453455.db2.gz HNIAXNNDZUCADB-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001280803397 904157240 /nfs/dbraw/zinc/15/72/40/904157240.db2.gz WRODIZCTFRRTJN-ZDUSSCGKSA-N 2 1 269.389 0.283 20 30 CCEDMP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001280803397 904157254 /nfs/dbraw/zinc/15/72/54/904157254.db2.gz WRODIZCTFRRTJN-ZDUSSCGKSA-N 2 1 269.389 0.283 20 30 CCEDMP C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001280803397 904157261 /nfs/dbraw/zinc/15/72/61/904157261.db2.gz WRODIZCTFRRTJN-ZDUSSCGKSA-N 2 1 269.389 0.283 20 30 CCEDMP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001280803397 904157270 /nfs/dbraw/zinc/15/72/70/904157270.db2.gz WRODIZCTFRRTJN-ZDUSSCGKSA-N 2 1 269.389 0.283 20 30 CCEDMP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001280803397 904157279 /nfs/dbraw/zinc/15/72/79/904157279.db2.gz WRODIZCTFRRTJN-ZDUSSCGKSA-N 2 1 269.389 0.283 20 30 CCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001283796209 905019708 /nfs/dbraw/zinc/01/97/08/905019708.db2.gz HXLVSLSBTRHLTE-CABCVRRESA-N 2 1 295.427 0.198 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001492110375 907705027 /nfs/dbraw/zinc/70/50/27/907705027.db2.gz DVEPCGTUUCCUOO-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[N@H+](CC)CC1(C)C ZINC001304042942 908137077 /nfs/dbraw/zinc/13/70/77/908137077.db2.gz PGPMZVCKPJSUFD-GFCCVEGCSA-N 2 1 253.390 0.951 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001304212954 908157155 /nfs/dbraw/zinc/15/71/55/908157155.db2.gz BNEZZSWLRCONAH-HIFRSBDPSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317536105 908631977 /nfs/dbraw/zinc/63/19/77/908631977.db2.gz VEUJIZRYWJWSGC-ZDUSSCGKSA-N 2 1 251.374 0.706 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001316948047 908843213 /nfs/dbraw/zinc/84/32/13/908843213.db2.gz PKHJFVKIFVGTPX-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001317058808 908950434 /nfs/dbraw/zinc/95/04/34/908950434.db2.gz FAGBHQUUQUJTKJ-ZDUSSCGKSA-N 2 1 260.341 0.405 20 30 CCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001317113599 908990438 /nfs/dbraw/zinc/99/04/38/908990438.db2.gz DDCNGCCOYWLWDI-OKILXGFUSA-N 2 1 290.367 0.078 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317192191 909037059 /nfs/dbraw/zinc/03/70/59/909037059.db2.gz CRILIEUVJKFWMV-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001317449160 909220134 /nfs/dbraw/zinc/22/01/34/909220134.db2.gz JYTYRYUOOJEVLH-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001317449160 909220150 /nfs/dbraw/zinc/22/01/50/909220150.db2.gz JYTYRYUOOJEVLH-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001317449160 909220165 /nfs/dbraw/zinc/22/01/65/909220165.db2.gz JYTYRYUOOJEVLH-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001317449160 909220180 /nfs/dbraw/zinc/22/01/80/909220180.db2.gz JYTYRYUOOJEVLH-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001318338528 909711666 /nfs/dbraw/zinc/71/16/66/909711666.db2.gz VLJBPWIVAVLURW-CQSZACIVSA-N 2 1 295.427 0.864 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001318387395 909734004 /nfs/dbraw/zinc/73/40/04/909734004.db2.gz SFMXBQYYFZXSSM-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001318387395 909734011 /nfs/dbraw/zinc/73/40/11/909734011.db2.gz SFMXBQYYFZXSSM-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001318387395 909734018 /nfs/dbraw/zinc/73/40/18/909734018.db2.gz SFMXBQYYFZXSSM-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001318387395 909734024 /nfs/dbraw/zinc/73/40/24/909734024.db2.gz SFMXBQYYFZXSSM-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001318607988 909835346 /nfs/dbraw/zinc/83/53/46/909835346.db2.gz SMXZPXGUKMJWTP-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001320008936 910413440 /nfs/dbraw/zinc/41/34/40/910413440.db2.gz NYTNGOHELHMYJQ-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320640664 910776033 /nfs/dbraw/zinc/77/60/33/910776033.db2.gz SWVOHRBLVSYFRZ-UONOGXRCSA-N 2 1 281.400 0.072 20 30 CCEDMP C#CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC1CC1 ZINC001321237851 911183795 /nfs/dbraw/zinc/18/37/95/911183795.db2.gz SVJFVWNEFMVXIA-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC1CC1 ZINC001321237851 911183802 /nfs/dbraw/zinc/18/38/02/911183802.db2.gz SVJFVWNEFMVXIA-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001322183667 911699542 /nfs/dbraw/zinc/69/95/42/911699542.db2.gz UOTAXDIMAFZRAS-AWEZNQCLSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CCNC(=O)CC[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001327978233 914902464 /nfs/dbraw/zinc/90/24/64/914902464.db2.gz MEIPLXQQPZKCJQ-QWHCGFSZSA-N 2 1 251.374 0.588 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401575826 916341384 /nfs/dbraw/zinc/34/13/84/916341384.db2.gz GJHGMBAHBNFEKB-RYUDHWBXSA-N 2 1 289.807 0.147 20 30 CCEDMP C=C(C)CC[NH2+][C@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001331756455 917576068 /nfs/dbraw/zinc/57/60/68/917576068.db2.gz GRMOTHSKRUBKMB-ZDUSSCGKSA-N 2 1 280.372 0.224 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001332049337 917824842 /nfs/dbraw/zinc/82/48/42/917824842.db2.gz OTPRGEDVHONULT-OCCSQVGLSA-N 2 1 274.368 0.794 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001332661910 918364023 /nfs/dbraw/zinc/36/40/23/918364023.db2.gz AESVQZXMKMBAQK-LSDHHAIUSA-N 2 1 299.459 0.900 20 30 CCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001332664562 918364391 /nfs/dbraw/zinc/36/43/91/918364391.db2.gz VMOMKFXNZGZLBY-AWEZNQCLSA-N 2 1 295.427 0.103 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001333100674 918652311 /nfs/dbraw/zinc/65/23/11/918652311.db2.gz OTIPYQFBWSIZDN-UHFFFAOYSA-N 2 1 296.459 0.637 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COC(C)C)CC1 ZINC001336779937 921001080 /nfs/dbraw/zinc/00/10/80/921001080.db2.gz LVZWBXBAOCWBRB-OAHLLOKOSA-N 2 1 268.401 0.850 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001341731138 922648106 /nfs/dbraw/zinc/64/81/06/922648106.db2.gz BYKRASHERSKHDP-CHWSQXEVSA-N 2 1 268.405 0.032 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001346210581 924111553 /nfs/dbraw/zinc/11/15/53/924111553.db2.gz WBMWNJRNCRXXRZ-SOUVJXGZSA-N 2 1 295.427 0.728 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COCCOC)CC1 ZINC001346251818 924134323 /nfs/dbraw/zinc/13/43/23/924134323.db2.gz PEJXTWDZCFVFGA-HNNXBMFYSA-N 2 1 284.400 0.088 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001346453539 924221050 /nfs/dbraw/zinc/22/10/50/924221050.db2.gz LCNWOBGNDVLKNF-GFCCVEGCSA-N 2 1 266.389 0.320 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000600744871 362052438 /nfs/dbraw/zinc/05/24/38/362052438.db2.gz QEGJDJLZIQMRSS-GJZGRUSLSA-N 2 1 295.427 0.868 20 30 CCEDMP N#CCNC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846393 362833555 /nfs/dbraw/zinc/83/35/55/362833555.db2.gz PJECBMFHVPCLBT-UHFFFAOYSA-N 2 1 273.340 0.233 20 30 CCEDMP N#CCNC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846393 362833559 /nfs/dbraw/zinc/83/35/59/362833559.db2.gz PJECBMFHVPCLBT-UHFFFAOYSA-N 2 1 273.340 0.233 20 30 CCEDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000602877846 362857855 /nfs/dbraw/zinc/85/78/55/362857855.db2.gz SNHGIXPKFHWUON-ZFWWWQNUSA-N 2 1 281.400 0.430 20 30 CCEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000602877846 362857860 /nfs/dbraw/zinc/85/78/60/362857860.db2.gz SNHGIXPKFHWUON-ZFWWWQNUSA-N 2 1 281.400 0.430 20 30 CCEDMP N#Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000063178487 348680480 /nfs/dbraw/zinc/68/04/80/348680480.db2.gz SKGHVZQLEUIYOM-OAHLLOKOSA-N 2 1 286.379 0.845 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000068195913 348801846 /nfs/dbraw/zinc/80/18/46/348801846.db2.gz HOZCHOWBUAHTPE-ZDUSSCGKSA-N 2 1 277.412 0.931 20 30 CCEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@H+](C)CC)CC1 ZINC000303884185 354099574 /nfs/dbraw/zinc/09/95/74/354099574.db2.gz MRTGIZRURLVTOR-UHFFFAOYSA-N 2 1 299.419 0.463 20 30 CCEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@@H+](C)CC)CC1 ZINC000303884185 354099578 /nfs/dbraw/zinc/09/95/78/354099578.db2.gz MRTGIZRURLVTOR-UHFFFAOYSA-N 2 1 299.419 0.463 20 30 CCEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598628202 361467121 /nfs/dbraw/zinc/46/71/21/361467121.db2.gz LMDLRUIVBSFTFP-CABCVRRESA-N 2 1 295.427 0.818 20 30 CCEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598628202 361467130 /nfs/dbraw/zinc/46/71/30/361467130.db2.gz LMDLRUIVBSFTFP-CABCVRRESA-N 2 1 295.427 0.818 20 30 CCEDMP CC(C)CCNC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000303870416 389081288 /nfs/dbraw/zinc/08/12/88/389081288.db2.gz FIMIOXZVTAVELW-UHFFFAOYSA-N 2 1 269.437 0.574 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000358218992 389144718 /nfs/dbraw/zinc/14/47/18/389144718.db2.gz DGJBDFANYJBNSG-CYBMUJFWSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000328135671 389127375 /nfs/dbraw/zinc/12/73/75/389127375.db2.gz YAHOHVHHAOMMBG-HNNXBMFYSA-N 2 1 276.380 0.971 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000328135671 389127377 /nfs/dbraw/zinc/12/73/77/389127377.db2.gz YAHOHVHHAOMMBG-HNNXBMFYSA-N 2 1 276.380 0.971 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000360333380 389196145 /nfs/dbraw/zinc/19/61/45/389196145.db2.gz IAWFOXBUGFGDCT-HOCLYGCPSA-N 2 1 289.423 0.884 20 30 CCEDMP COc1cc(CNC[C@@H]2C[NH2+]CCO2)ccc1C#N ZINC000415090373 389656862 /nfs/dbraw/zinc/65/68/62/389656862.db2.gz AINASELTSBQCGH-ZDUSSCGKSA-N 2 1 261.325 0.645 20 30 CCEDMP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCC[NH2+]CC2)C1=O ZINC000420312817 389982235 /nfs/dbraw/zinc/98/22/35/389982235.db2.gz OYVDRSVTZDRVEK-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCC[NH2+]CC2)C1=O ZINC000420312817 389982237 /nfs/dbraw/zinc/98/22/37/389982237.db2.gz OYVDRSVTZDRVEK-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000420409690 389997974 /nfs/dbraw/zinc/99/79/74/389997974.db2.gz QOBARBUOCLOPQO-AVGNSLFASA-N 2 1 251.374 0.690 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000420409690 389997976 /nfs/dbraw/zinc/99/79/76/389997976.db2.gz QOBARBUOCLOPQO-AVGNSLFASA-N 2 1 251.374 0.690 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C1=O ZINC000420409694 389998111 /nfs/dbraw/zinc/99/81/11/389998111.db2.gz QOBARBUOCLOPQO-XQQFMLRXSA-N 2 1 251.374 0.690 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C1=O ZINC000420409694 389998112 /nfs/dbraw/zinc/99/81/12/389998112.db2.gz QOBARBUOCLOPQO-XQQFMLRXSA-N 2 1 251.374 0.690 20 30 CCEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000451678711 390003944 /nfs/dbraw/zinc/00/39/44/390003944.db2.gz FQTQOCOZCIGKOW-MJBXVCDLSA-N 2 1 254.374 0.765 20 30 CCEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000451678711 390003945 /nfs/dbraw/zinc/00/39/45/390003945.db2.gz FQTQOCOZCIGKOW-MJBXVCDLSA-N 2 1 254.374 0.765 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@H+](C)C(C2CC2)C2CC2)CC1 ZINC000490780695 390107883 /nfs/dbraw/zinc/10/78/83/390107883.db2.gz PFRSXFGDWZNDNA-UHFFFAOYSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000491661683 390115586 /nfs/dbraw/zinc/11/55/86/390115586.db2.gz NTEOJUISHPIGNI-RYUDHWBXSA-N 2 1 254.378 0.367 20 30 CCEDMP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC#CC[NH+]1C[C@@H](O)CC[C@@H]1C ZINC000646144724 390617758 /nfs/dbraw/zinc/61/77/58/390617758.db2.gz IXXKXOJHFAHQDG-GEEKYZPCSA-N 2 1 280.412 0.680 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1=O ZINC000335008731 545047635 /nfs/dbraw/zinc/04/76/35/545047635.db2.gz MHPVPFNXCDZWBI-DZGCQCFKSA-N 2 1 263.385 0.849 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1=O ZINC000335008731 545047636 /nfs/dbraw/zinc/04/76/36/545047636.db2.gz MHPVPFNXCDZWBI-DZGCQCFKSA-N 2 1 263.385 0.849 20 30 CCEDMP C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)C1=CC[N@@H+](C)CC1 ZINC000516922087 260281838 /nfs/dbraw/zinc/28/18/38/260281838.db2.gz IEQNLCBQHWZHKV-HIFRSBDPSA-N 2 1 280.416 0.433 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000490821018 261215295 /nfs/dbraw/zinc/21/52/95/261215295.db2.gz QDZLUVVKAGOHMA-XJKSGUPXSA-N 2 1 289.423 0.931 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnn1 ZINC000278276950 263046418 /nfs/dbraw/zinc/04/64/18/263046418.db2.gz OSRGAURBFVMRSA-LBPRGKRZSA-N 2 1 262.361 0.365 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529331 263299301 /nfs/dbraw/zinc/29/93/01/263299301.db2.gz FUPOURKCMLDIND-CYBMUJFWSA-N 2 1 251.374 0.858 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529331 263299303 /nfs/dbraw/zinc/29/93/03/263299303.db2.gz FUPOURKCMLDIND-CYBMUJFWSA-N 2 1 251.374 0.858 20 30 CCEDMP CO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](OC)C2)C1 ZINC000341878168 263362254 /nfs/dbraw/zinc/36/22/54/263362254.db2.gz SZDXMZKKCAIJBJ-ZIAGYGMSSA-N 2 1 252.358 0.431 20 30 CCEDMP CO[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OC)C2)C1 ZINC000341878165 263362278 /nfs/dbraw/zinc/36/22/78/263362278.db2.gz SZDXMZKKCAIJBJ-KBPBESRZSA-N 2 1 252.358 0.431 20 30 CCEDMP CNC(=O)N[C@@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC000330961590 264088888 /nfs/dbraw/zinc/08/88/88/264088888.db2.gz YCAVZFAOBJSOOY-GFCCVEGCSA-N 2 1 265.361 0.789 20 30 CCEDMP CNC(=O)N[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000330961590 264088889 /nfs/dbraw/zinc/08/88/89/264088889.db2.gz YCAVZFAOBJSOOY-GFCCVEGCSA-N 2 1 265.361 0.789 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)C1CCN(CCO)CC1 ZINC000357649321 266339594 /nfs/dbraw/zinc/33/95/94/266339594.db2.gz PJKKKPPWLWXYBN-LBPRGKRZSA-N 2 1 269.389 0.066 20 30 CCEDMP C[NH+](C)[C@@]1(CNC(=[NH2+])N2CCSCC2)CCSC1 ZINC000262499800 330017836 /nfs/dbraw/zinc/01/78/36/330017836.db2.gz XVZFVRHEQZTEIX-GFCCVEGCSA-N 2 1 288.486 0.787 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(C)CCOC1 ZINC000262544949 330020653 /nfs/dbraw/zinc/02/06/53/330020653.db2.gz UTRIGDVZMWJGNX-GXTWGEPZSA-N 2 1 268.405 0.802 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCC(C(=O)OC)CC1 ZINC000262587165 330022147 /nfs/dbraw/zinc/02/21/47/330022147.db2.gz SWNMTKQOVBDQHR-LBPRGKRZSA-N 2 1 296.415 0.399 20 30 CCEDMP C[N@H+]1CCN(CCNC(=[NH2+])NC[C@H]2CCCO2)CC1(C)C ZINC000262761746 330029923 /nfs/dbraw/zinc/02/99/23/330029923.db2.gz DKBPDXWSQBCSGI-CYBMUJFWSA-N 2 1 297.447 0.096 20 30 CCEDMP C#CCNC(NC[C@@]1([NH+](C)C)CCSC1)=[NH+]CC ZINC000262809243 330033057 /nfs/dbraw/zinc/03/30/57/330033057.db2.gz TWKIZRQHKNSNDS-ZDUSSCGKSA-N 2 1 268.430 0.612 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(C)CCC(=O)N1 ZINC000263187319 330048219 /nfs/dbraw/zinc/04/82/19/330048219.db2.gz VBHPLLSXQNIRAR-FZMZJTMJSA-N 2 1 281.404 0.044 20 30 CCEDMP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424138751 330276734 /nfs/dbraw/zinc/27/67/34/330276734.db2.gz USYBJSQWZWHGPF-ZIAGYGMSSA-N 2 1 296.415 0.481 20 30 CCEDMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424143221 330286921 /nfs/dbraw/zinc/28/69/21/330286921.db2.gz FLWYWUOXOVDDLP-QWHCGFSZSA-N 2 1 266.389 0.998 20 30 CCEDMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424144221 330289682 /nfs/dbraw/zinc/28/96/82/330289682.db2.gz KTUYQPPERNXOQG-JHJVBQTASA-N 2 1 264.373 0.703 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000491327598 332191458 /nfs/dbraw/zinc/19/14/58/332191458.db2.gz WVJHQSOTRGVREA-HNNXBMFYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+](CCC)C1 ZINC000491327598 332191459 /nfs/dbraw/zinc/19/14/59/332191459.db2.gz WVJHQSOTRGVREA-HNNXBMFYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+](CCC)C1 ZINC000491327598 332191461 /nfs/dbraw/zinc/19/14/61/332191461.db2.gz WVJHQSOTRGVREA-HNNXBMFYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000491515602 332227442 /nfs/dbraw/zinc/22/74/42/332227442.db2.gz OKXNYEGQVYTVBF-UHFFFAOYSA-N 2 1 291.399 0.130 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000491664410 332273177 /nfs/dbraw/zinc/27/31/77/332273177.db2.gz UBTLRZKOPXZSBF-UHFFFAOYSA-N 2 1 278.400 0.431 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000491701543 332296000 /nfs/dbraw/zinc/29/60/00/332296000.db2.gz XERLKRHEQRAZAC-HNNXBMFYSA-N 2 1 280.416 0.630 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000491723036 332307885 /nfs/dbraw/zinc/30/78/85/332307885.db2.gz AMYGPGPCADHORP-LBPRGKRZSA-N 2 1 262.357 0.557 20 30 CCEDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000516762100 333081909 /nfs/dbraw/zinc/08/19/09/333081909.db2.gz UNGJNOWIKLXZPH-CVEARBPZSA-N 2 1 296.459 0.760 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754464610 581593084 /nfs/dbraw/zinc/59/30/84/581593084.db2.gz RGBPRBDGGZVXHY-UONOGXRCSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464610 581593086 /nfs/dbraw/zinc/59/30/86/581593086.db2.gz RGBPRBDGGZVXHY-UONOGXRCSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912499508 612946161 /nfs/dbraw/zinc/94/61/61/612946161.db2.gz PHGOXDRRLDTNAL-UHFFFAOYSA-N 2 1 280.416 0.676 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000968915039 612962767 /nfs/dbraw/zinc/96/27/67/612962767.db2.gz AOQIMKMPZLPYAR-OLZOCXBDSA-N 2 1 272.352 0.584 20 30 CCEDMP C#CCC1([NH2+]C[C@H](O)C[N@H+](C)CC)CCOCC1 ZINC000887122096 612970706 /nfs/dbraw/zinc/97/07/06/612970706.db2.gz KVGWWIULHYKXHN-ZDUSSCGKSA-N 2 1 254.374 0.461 20 30 CCEDMP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000981523839 612971904 /nfs/dbraw/zinc/97/19/04/612971904.db2.gz LGPIUFQIFRDNPB-UONOGXRCSA-N 2 1 274.368 0.842 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549810 613013065 /nfs/dbraw/zinc/01/30/65/613013065.db2.gz YKQKVOCUAKPWCG-CABCVRRESA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000978344808 613041240 /nfs/dbraw/zinc/04/12/40/613041240.db2.gz GFTTWCFYXHKGMG-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978344808 613041243 /nfs/dbraw/zinc/04/12/43/613041243.db2.gz GFTTWCFYXHKGMG-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978344808 613041244 /nfs/dbraw/zinc/04/12/44/613041244.db2.gz GFTTWCFYXHKGMG-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969975966 613116617 /nfs/dbraw/zinc/11/66/17/613116617.db2.gz OFIMUWOSEVRTQS-OCCSQVGLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000969975966 613116619 /nfs/dbraw/zinc/11/66/19/613116619.db2.gz OFIMUWOSEVRTQS-OCCSQVGLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969799351 613123395 /nfs/dbraw/zinc/12/33/95/613123395.db2.gz WBJUVJYXXBADAN-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000969799351 613123396 /nfs/dbraw/zinc/12/33/96/613123396.db2.gz WBJUVJYXXBADAN-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000980479880 613129720 /nfs/dbraw/zinc/12/97/20/613129720.db2.gz YMSZYMHMMHAGKC-INIZCTEOSA-N 2 1 287.407 0.498 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000890366962 613184321 /nfs/dbraw/zinc/18/43/21/613184321.db2.gz GFODOYUSPWOLJZ-CABCVRRESA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000890366962 613184323 /nfs/dbraw/zinc/18/43/23/613184323.db2.gz GFODOYUSPWOLJZ-CABCVRRESA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC12CC[NH+](C)CC2 ZINC000889221962 613195238 /nfs/dbraw/zinc/19/52/38/613195238.db2.gz ZAKJNALRGHDLAY-AWEZNQCLSA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC12CC[NH+](C)CC2 ZINC000889221962 613195239 /nfs/dbraw/zinc/19/52/39/613195239.db2.gz ZAKJNALRGHDLAY-AWEZNQCLSA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC000978282601 613200094 /nfs/dbraw/zinc/20/00/94/613200094.db2.gz OQGLQSGSXJDPEZ-JONQDZQNSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](C(C)C)C[C@H]21 ZINC000978282601 613200095 /nfs/dbraw/zinc/20/00/95/613200095.db2.gz OQGLQSGSXJDPEZ-JONQDZQNSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](C(C)C)C[C@H]21 ZINC000978282601 613200097 /nfs/dbraw/zinc/20/00/97/613200097.db2.gz OQGLQSGSXJDPEZ-JONQDZQNSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](C(C)C)C[C@H]21 ZINC000978282601 613200098 /nfs/dbraw/zinc/20/00/98/613200098.db2.gz OQGLQSGSXJDPEZ-JONQDZQNSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942517529 613229052 /nfs/dbraw/zinc/22/90/52/613229052.db2.gz BCPUZKYRGFMVIK-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942517529 613229054 /nfs/dbraw/zinc/22/90/54/613229054.db2.gz BCPUZKYRGFMVIK-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000942517527 613261838 /nfs/dbraw/zinc/26/18/38/613261838.db2.gz BCPUZKYRGFMVIK-JSGCOSHPSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000942517527 613261839 /nfs/dbraw/zinc/26/18/39/613261839.db2.gz BCPUZKYRGFMVIK-JSGCOSHPSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975057049 613297220 /nfs/dbraw/zinc/29/72/20/613297220.db2.gz BDCAJGAKYRDSAW-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975057049 613297221 /nfs/dbraw/zinc/29/72/21/613297221.db2.gz BDCAJGAKYRDSAW-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975057049 613297222 /nfs/dbraw/zinc/29/72/22/613297222.db2.gz BDCAJGAKYRDSAW-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975057049 613297223 /nfs/dbraw/zinc/29/72/23/613297223.db2.gz BDCAJGAKYRDSAW-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000961937620 613315358 /nfs/dbraw/zinc/31/53/58/613315358.db2.gz AJIUCKAUUVBCMT-XUWVNRHRSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000961937620 613315360 /nfs/dbraw/zinc/31/53/60/613315360.db2.gz AJIUCKAUUVBCMT-XUWVNRHRSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000961937620 613315362 /nfs/dbraw/zinc/31/53/62/613315362.db2.gz AJIUCKAUUVBCMT-XUWVNRHRSA-N 2 1 289.423 0.929 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000900187410 613364790 /nfs/dbraw/zinc/36/47/90/613364790.db2.gz HVPRKPOHLLPWPF-UHFFFAOYSA-N 2 1 296.459 0.638 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000907452756 613365549 /nfs/dbraw/zinc/36/55/49/613365549.db2.gz QMAGJADAGUYBAV-OAHLLOKOSA-N 2 1 296.459 0.637 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000900613119 613365587 /nfs/dbraw/zinc/36/55/87/613365587.db2.gz ILUSIZZCTBCZLS-CQSZACIVSA-N 2 1 282.432 0.246 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834595398 613366241 /nfs/dbraw/zinc/36/62/41/613366241.db2.gz XLVQSWACLGRMOC-STQMWFEESA-N 2 1 269.364 0.749 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000862794077 613366555 /nfs/dbraw/zinc/36/65/55/613366555.db2.gz WASZBMPRDFEMSA-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[C@@H](C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000883438839 613400009 /nfs/dbraw/zinc/40/00/09/613400009.db2.gz DJNJHFPZPLYIJC-XQHKEYJVSA-N 2 1 265.357 0.818 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCC[NH2+]1 ZINC000852864250 613422917 /nfs/dbraw/zinc/42/29/17/613422917.db2.gz PYCSBQJXRSTZAP-IJEWVQPXSA-N 2 1 293.411 0.664 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCC[NH2+]1 ZINC000852864249 613423039 /nfs/dbraw/zinc/42/30/39/613423039.db2.gz PYCSBQJXRSTZAP-IIAWOOMASA-N 2 1 293.411 0.664 20 30 CCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969443184 613483164 /nfs/dbraw/zinc/48/31/64/613483164.db2.gz ZFLYMSGAHFFXDL-TZMCWYRMSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969443184 613483165 /nfs/dbraw/zinc/48/31/65/613483165.db2.gz ZFLYMSGAHFFXDL-TZMCWYRMSA-N 2 1 281.400 0.330 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000982036096 613549485 /nfs/dbraw/zinc/54/94/85/613549485.db2.gz ZLPAYULWUNOMEQ-UHFFFAOYSA-N 2 1 260.341 0.510 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979067813 613628618 /nfs/dbraw/zinc/62/86/18/613628618.db2.gz CEOQUBLIXATSFF-TUVASFSCSA-N 2 1 275.396 0.255 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979067813 613628621 /nfs/dbraw/zinc/62/86/21/613628621.db2.gz CEOQUBLIXATSFF-TUVASFSCSA-N 2 1 275.396 0.255 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979067813 613628626 /nfs/dbraw/zinc/62/86/26/613628626.db2.gz CEOQUBLIXATSFF-TUVASFSCSA-N 2 1 275.396 0.255 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000980408662 613630170 /nfs/dbraw/zinc/63/01/70/613630170.db2.gz MWCADPNEGJBNDR-ZDUSSCGKSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000980408662 613630171 /nfs/dbraw/zinc/63/01/71/613630171.db2.gz MWCADPNEGJBNDR-ZDUSSCGKSA-N 2 1 262.357 0.910 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000961760962 613634515 /nfs/dbraw/zinc/63/45/15/613634515.db2.gz AXLPXGGHFIYHGA-TTZDDIAXSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000961760962 613634516 /nfs/dbraw/zinc/63/45/16/613634516.db2.gz AXLPXGGHFIYHGA-TTZDDIAXSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000961760962 613634517 /nfs/dbraw/zinc/63/45/17/613634517.db2.gz AXLPXGGHFIYHGA-TTZDDIAXSA-N 2 1 275.396 0.398 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970910772 613663392 /nfs/dbraw/zinc/66/33/92/613663392.db2.gz PVMBUOBBEOZQRJ-TZMCWYRMSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970910772 613663394 /nfs/dbraw/zinc/66/33/94/613663394.db2.gz PVMBUOBBEOZQRJ-TZMCWYRMSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905095674 613675771 /nfs/dbraw/zinc/67/57/71/613675771.db2.gz JYHHRJSFXWOYGC-CABCVRRESA-N 2 1 284.400 0.129 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900598516 613675850 /nfs/dbraw/zinc/67/58/50/613675850.db2.gz HOZHNUQGLBOMCA-ZFWWWQNUSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000968797492 613686176 /nfs/dbraw/zinc/68/61/76/613686176.db2.gz YCZXRWMPMYMTSM-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000968797492 613686177 /nfs/dbraw/zinc/68/61/77/613686177.db2.gz YCZXRWMPMYMTSM-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968797492 613686178 /nfs/dbraw/zinc/68/61/78/613686178.db2.gz YCZXRWMPMYMTSM-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968797492 613686179 /nfs/dbraw/zinc/68/61/79/613686179.db2.gz YCZXRWMPMYMTSM-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269169 613701786 /nfs/dbraw/zinc/70/17/86/613701786.db2.gz KKDNFCGOTNCZRZ-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269169 613701788 /nfs/dbraw/zinc/70/17/88/613701788.db2.gz KKDNFCGOTNCZRZ-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000948269169 613701792 /nfs/dbraw/zinc/70/17/92/613701792.db2.gz KKDNFCGOTNCZRZ-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269169 613701795 /nfs/dbraw/zinc/70/17/95/613701795.db2.gz KKDNFCGOTNCZRZ-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962593780 613838727 /nfs/dbraw/zinc/83/87/27/613838727.db2.gz USYKJTYFRZSECK-IMRBUKKESA-N 2 1 260.341 0.424 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962593780 613838728 /nfs/dbraw/zinc/83/87/28/613838728.db2.gz USYKJTYFRZSECK-IMRBUKKESA-N 2 1 260.341 0.424 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496346 613851690 /nfs/dbraw/zinc/85/16/90/613851690.db2.gz BLARZYGQHOUZBS-WOPDTQHZSA-N 2 1 282.388 0.303 20 30 CCEDMP CC(C)[N@H+]1CC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852862019 614381921 /nfs/dbraw/zinc/38/19/21/614381921.db2.gz PZGICHOCDHZADY-OAHLLOKOSA-N 2 1 277.412 0.836 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834483979 615112190 /nfs/dbraw/zinc/11/21/90/615112190.db2.gz BZLDORMLOGINRD-GRYCIOLGSA-N 2 1 250.346 0.089 20 30 CCEDMP CC[NH+]1CCN(CCCCNC2=[NH+]CCCN2C)CC1 ZINC000848989984 615156986 /nfs/dbraw/zinc/15/69/86/615156986.db2.gz PMPCSEFHDZLLGA-UHFFFAOYSA-N 2 1 281.448 0.685 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000913520778 615857377 /nfs/dbraw/zinc/85/73/77/615857377.db2.gz YEXOHPLBLHGWPG-GFCCVEGCSA-N 2 1 269.414 0.105 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292190 622985998 /nfs/dbraw/zinc/98/59/98/622985998.db2.gz RALNPFDYADKOSH-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292190 622986009 /nfs/dbraw/zinc/98/60/09/622986009.db2.gz RALNPFDYADKOSH-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023292190 622986019 /nfs/dbraw/zinc/98/60/19/622986019.db2.gz RALNPFDYADKOSH-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023292190 622986027 /nfs/dbraw/zinc/98/60/27/622986027.db2.gz RALNPFDYADKOSH-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001024365533 623301260 /nfs/dbraw/zinc/30/12/60/623301260.db2.gz CEDZGAUZRUAFBO-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001020587864 624543957 /nfs/dbraw/zinc/54/39/57/624543957.db2.gz XQZDOULASUCENQ-MGPQQGTHSA-N 2 1 286.379 0.624 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001022452554 624997633 /nfs/dbraw/zinc/99/76/33/624997633.db2.gz NWRDRVIVXIAGBE-VAVUMJPSSA-N 2 1 291.395 0.272 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001009592176 625860861 /nfs/dbraw/zinc/86/08/61/625860861.db2.gz GXFDIEGVTYKUPE-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001009592176 625860865 /nfs/dbraw/zinc/86/08/65/625860865.db2.gz GXFDIEGVTYKUPE-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009592176 625860869 /nfs/dbraw/zinc/86/08/69/625860869.db2.gz GXFDIEGVTYKUPE-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009592176 625860872 /nfs/dbraw/zinc/86/08/72/625860872.db2.gz GXFDIEGVTYKUPE-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C[C@@H](CNC(=[NH2+])N1CCCCC1)CN1CC[NH+](C)CC1 ZINC000104174638 630767662 /nfs/dbraw/zinc/76/76/62/630767662.db2.gz SXFSYZRTTITITK-AWEZNQCLSA-N 2 1 281.448 0.671 20 30 CCEDMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@H]1CCCO1 ZINC000261874134 631665516 /nfs/dbraw/zinc/66/55/16/631665516.db2.gz PNTPMVMUEBDPGJ-DGCLKSJQSA-N 2 1 266.389 0.554 20 30 CCEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000261875194 631666413 /nfs/dbraw/zinc/66/64/13/631666413.db2.gz PRJJWVMQJAHRCY-VXGBXAGGSA-N 2 1 254.378 0.412 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@]2(CCOC2)C1 ZINC000261964919 631735539 /nfs/dbraw/zinc/73/55/39/631735539.db2.gz LCLXMVAPXOCXLM-OAHLLOKOSA-N 2 1 291.399 0.879 20 30 CCEDMP C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261979639 631742449 /nfs/dbraw/zinc/74/24/49/631742449.db2.gz ONNZDOOLQZVFGK-WCQYABFASA-N 2 1 295.431 0.159 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261989445 631744437 /nfs/dbraw/zinc/74/44/37/631744437.db2.gz QXBUNGYXVVNJBF-KWCYVHTRSA-N 2 1 280.416 0.813 20 30 CCEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000985351560 632445730 /nfs/dbraw/zinc/44/57/30/632445730.db2.gz GXRDMKXVIZJDJO-HNNXBMFYSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000985351560 632445741 /nfs/dbraw/zinc/44/57/41/632445741.db2.gz GXRDMKXVIZJDJO-HNNXBMFYSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000985351560 632445751 /nfs/dbraw/zinc/44/57/51/632445751.db2.gz GXRDMKXVIZJDJO-HNNXBMFYSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000985351560 632445757 /nfs/dbraw/zinc/44/57/57/632445757.db2.gz GXRDMKXVIZJDJO-HNNXBMFYSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC#C)CC1 ZINC000985474947 632507618 /nfs/dbraw/zinc/50/76/18/632507618.db2.gz IEIURXRODXVUHV-INIZCTEOSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC000985474947 632507633 /nfs/dbraw/zinc/50/76/33/632507633.db2.gz IEIURXRODXVUHV-INIZCTEOSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC000985474947 632507647 /nfs/dbraw/zinc/50/76/47/632507647.db2.gz IEIURXRODXVUHV-INIZCTEOSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC000985474947 632507658 /nfs/dbraw/zinc/50/76/58/632507658.db2.gz IEIURXRODXVUHV-INIZCTEOSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC000985474947 632507679 /nfs/dbraw/zinc/50/76/79/632507679.db2.gz IEIURXRODXVUHV-INIZCTEOSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000986458428 632759869 /nfs/dbraw/zinc/75/98/69/632759869.db2.gz ZYYYLBPKNZKEEV-DGCLKSJQSA-N 2 1 290.367 0.562 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008402487 650113204 /nfs/dbraw/zinc/11/32/04/650113204.db2.gz BXZCAXXVWZJBFB-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CCN1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989665793 633341364 /nfs/dbraw/zinc/34/13/64/633341364.db2.gz NJCWZFOXYYXOMV-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989665793 633341367 /nfs/dbraw/zinc/34/13/67/633341367.db2.gz NJCWZFOXYYXOMV-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989665793 633341371 /nfs/dbraw/zinc/34/13/71/633341371.db2.gz NJCWZFOXYYXOMV-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989665793 633341374 /nfs/dbraw/zinc/34/13/74/633341374.db2.gz NJCWZFOXYYXOMV-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989665793 633341379 /nfs/dbraw/zinc/34/13/79/633341379.db2.gz NJCWZFOXYYXOMV-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC000989707935 633347306 /nfs/dbraw/zinc/34/73/06/633347306.db2.gz KPOAVVBFEDESBK-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000989707935 633347313 /nfs/dbraw/zinc/34/73/13/633347313.db2.gz KPOAVVBFEDESBK-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000989707935 633347316 /nfs/dbraw/zinc/34/73/16/633347316.db2.gz KPOAVVBFEDESBK-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000989707935 633347322 /nfs/dbraw/zinc/34/73/22/633347322.db2.gz KPOAVVBFEDESBK-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000989707935 633347330 /nfs/dbraw/zinc/34/73/30/633347330.db2.gz KPOAVVBFEDESBK-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCCO1 ZINC000261980822 637510224 /nfs/dbraw/zinc/51/02/24/637510224.db2.gz HZQACPYFXAVVSX-CHWSQXEVSA-N 2 1 268.405 0.944 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995958636 638806013 /nfs/dbraw/zinc/80/60/13/638806013.db2.gz NPTQVLAQBVUKEQ-MCIONIFRSA-N 2 1 293.411 0.165 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995958636 638806014 /nfs/dbraw/zinc/80/60/14/638806014.db2.gz NPTQVLAQBVUKEQ-MCIONIFRSA-N 2 1 293.411 0.165 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996301448 638815016 /nfs/dbraw/zinc/81/50/16/638815016.db2.gz SYCPLYHPMHGFAO-KBPBESRZSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616466 638824452 /nfs/dbraw/zinc/82/44/52/638824452.db2.gz SGVDCRZCJASGRC-OLZOCXBDSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC000996648369 638826397 /nfs/dbraw/zinc/82/63/97/638826397.db2.gz RMVXUKUIVKRDFG-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC000996648369 638826398 /nfs/dbraw/zinc/82/63/98/638826398.db2.gz RMVXUKUIVKRDFG-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001000967629 639201967 /nfs/dbraw/zinc/20/19/67/639201967.db2.gz HKPOAIAHOMSDLI-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001000967629 639201972 /nfs/dbraw/zinc/20/19/72/639201972.db2.gz HKPOAIAHOMSDLI-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001001277465 639272206 /nfs/dbraw/zinc/27/22/06/639272206.db2.gz DLGXKDRUTSIABL-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001001277465 639272209 /nfs/dbraw/zinc/27/22/09/639272209.db2.gz DLGXKDRUTSIABL-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002127540 639370079 /nfs/dbraw/zinc/37/00/79/639370079.db2.gz SEZQQUCEWNZOHM-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796352 650630368 /nfs/dbraw/zinc/63/03/68/650630368.db2.gz KZHFKMQZCDCALZ-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015899655 650652345 /nfs/dbraw/zinc/65/23/45/650652345.db2.gz PIZHURINMAELRP-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016252099 650706037 /nfs/dbraw/zinc/70/60/37/650706037.db2.gz YWKKDZGYLDGMSD-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016252099 650706040 /nfs/dbraw/zinc/70/60/40/650706040.db2.gz YWKKDZGYLDGMSD-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016252099 650706042 /nfs/dbraw/zinc/70/60/42/650706042.db2.gz YWKKDZGYLDGMSD-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016263287 650708164 /nfs/dbraw/zinc/70/81/64/650708164.db2.gz XIYUZHSUQNNEIG-CYBMUJFWSA-N 2 1 251.374 0.849 20 30 CCEDMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852872820 644035413 /nfs/dbraw/zinc/03/54/13/644035413.db2.gz RRIBZQIXVUADQJ-WFASDCNBSA-N 2 1 275.396 0.588 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC=C)C1 ZINC001018986246 650927409 /nfs/dbraw/zinc/92/74/09/650927409.db2.gz WWTUHFAZOILASO-KBPBESRZSA-N 2 1 261.369 0.461 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC=C)C1 ZINC001018986246 650927412 /nfs/dbraw/zinc/92/74/12/650927412.db2.gz WWTUHFAZOILASO-KBPBESRZSA-N 2 1 261.369 0.461 20 30 CCEDMP C=CC[N@@H+](CCOC)CC(=O)NC1CC[NH+](C)CC1 ZINC000878503219 646924152 /nfs/dbraw/zinc/92/41/52/646924152.db2.gz PFTUTKRYSZKIKU-UHFFFAOYSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CC[N@H+](CCOC)CC(=O)NC1CC[NH+](C)CC1 ZINC000878503219 646924158 /nfs/dbraw/zinc/92/41/58/646924158.db2.gz PFTUTKRYSZKIKU-UHFFFAOYSA-N 2 1 269.389 0.331 20 30 CCEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)CC#N ZINC000931763082 649027273 /nfs/dbraw/zinc/02/72/73/649027273.db2.gz FIMHQOAQXOFCQM-GXTWGEPZSA-N 2 1 260.341 0.867 20 30 CCEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)CC#N ZINC000931763082 649027277 /nfs/dbraw/zinc/02/72/77/649027277.db2.gz FIMHQOAQXOFCQM-GXTWGEPZSA-N 2 1 260.341 0.867 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[NH+](C)C1 ZINC000303882471 649826196 /nfs/dbraw/zinc/82/61/96/649826196.db2.gz ICEYJYPWSNUWFU-QWHCGFSZSA-N 3 1 267.421 0.327 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000303882471 649826197 /nfs/dbraw/zinc/82/61/97/649826197.db2.gz ICEYJYPWSNUWFU-QWHCGFSZSA-N 2 1 267.421 0.327 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000303882471 649826199 /nfs/dbraw/zinc/82/61/99/649826199.db2.gz ICEYJYPWSNUWFU-QWHCGFSZSA-N 2 1 267.421 0.327 20 30 CCEDMP CC[NH+]1CCN(C[C@@H](C)C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000303898399 649826560 /nfs/dbraw/zinc/82/65/60/649826560.db2.gz VNASTYCSETVDQW-AWEZNQCLSA-N 2 1 283.464 0.739 20 30 CCEDMP CC[NH+]1CCN(C[C@H](C)C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000303898404 649826608 /nfs/dbraw/zinc/82/66/08/649826608.db2.gz VNASTYCSETVDQW-CQSZACIVSA-N 2 1 283.464 0.739 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266544897 790907596 /nfs/dbraw/zinc/90/75/96/790907596.db2.gz KYCZUTCAHYLWNE-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP CC#CC[N@H+](CCC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266559092 790926711 /nfs/dbraw/zinc/92/67/11/790926711.db2.gz ZIMOPOXRQFEWGV-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[N@@H+](CCC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266559092 790926723 /nfs/dbraw/zinc/92/67/23/790926723.db2.gz ZIMOPOXRQFEWGV-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266559092 790926733 /nfs/dbraw/zinc/92/67/33/790926733.db2.gz ZIMOPOXRQFEWGV-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266559092 790926744 /nfs/dbraw/zinc/92/67/44/790926744.db2.gz ZIMOPOXRQFEWGV-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C=C(C)C[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001277476110 805703313 /nfs/dbraw/zinc/70/33/13/805703313.db2.gz MVRRXBPMTUKIDS-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001277783582 806042874 /nfs/dbraw/zinc/04/28/74/806042874.db2.gz WMNHPKHZXDGPPM-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001277783582 806042882 /nfs/dbraw/zinc/04/28/82/806042882.db2.gz WMNHPKHZXDGPPM-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C=CCC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001267106070 791547267 /nfs/dbraw/zinc/54/72/67/791547267.db2.gz QGNVOTPJOSDSBA-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001267106070 791547274 /nfs/dbraw/zinc/54/72/74/791547274.db2.gz QGNVOTPJOSDSBA-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC#CCOC ZINC001267116700 791557179 /nfs/dbraw/zinc/55/71/79/791557179.db2.gz FLJAWUQDCBZPPO-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267195752 791655485 /nfs/dbraw/zinc/65/54/85/791655485.db2.gz MIEZABZZROMYIQ-CQSZACIVSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267226585 791705111 /nfs/dbraw/zinc/70/51/11/791705111.db2.gz XCUJXLBCJNIMAL-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCC[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267226585 791705120 /nfs/dbraw/zinc/70/51/20/791705120.db2.gz XCUJXLBCJNIMAL-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCC[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267226585 791705128 /nfs/dbraw/zinc/70/51/28/791705128.db2.gz XCUJXLBCJNIMAL-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001277908984 806315045 /nfs/dbraw/zinc/31/50/45/806315045.db2.gz WWNHTZCLBGWOOF-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCCC#N)CC3)[C@H]2C1 ZINC001277949654 806437406 /nfs/dbraw/zinc/43/74/06/806437406.db2.gz ZNRAKQDQUGSOLL-KBPBESRZSA-N 2 1 290.411 0.822 20 30 CCEDMP C#CC[NH2+]CC(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC001121981452 799112581 /nfs/dbraw/zinc/11/25/81/799112581.db2.gz LPIJNYRLDIMONV-UHFFFAOYSA-N 2 1 289.383 0.701 20 30 CCEDMP C#CC[NH2+]CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001122000493 799117966 /nfs/dbraw/zinc/11/79/66/799117966.db2.gz WOFFLBKQYUGREK-DLBZAZTESA-N 2 1 297.402 0.942 20 30 CCEDMP C#CC[NH2+]CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001122000493 799117971 /nfs/dbraw/zinc/11/79/71/799117971.db2.gz WOFFLBKQYUGREK-DLBZAZTESA-N 2 1 297.402 0.942 20 30 CCEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001124872453 799641532 /nfs/dbraw/zinc/64/15/32/799641532.db2.gz GHPFTJOYDPVZQW-MRXNPFEDSA-N 2 1 285.391 0.838 20 30 CCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150553972 800345508 /nfs/dbraw/zinc/34/55/08/800345508.db2.gz OOCSLTDSRGWESI-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150553972 800345513 /nfs/dbraw/zinc/34/55/13/800345513.db2.gz OOCSLTDSRGWESI-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150553972 800345518 /nfs/dbraw/zinc/34/55/18/800345518.db2.gz OOCSLTDSRGWESI-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150553973 800345780 /nfs/dbraw/zinc/34/57/80/800345780.db2.gz OOCSLTDSRGWESI-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150553973 800345784 /nfs/dbraw/zinc/34/57/84/800345784.db2.gz OOCSLTDSRGWESI-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150553973 800345790 /nfs/dbraw/zinc/34/57/90/800345790.db2.gz OOCSLTDSRGWESI-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152147323 800496032 /nfs/dbraw/zinc/49/60/32/800496032.db2.gz LUXUHQGLNYLJOO-BETUJISGSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226372 800935540 /nfs/dbraw/zinc/93/55/40/800935540.db2.gz JWUMCHKPOMPWEW-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226372 800935541 /nfs/dbraw/zinc/93/55/41/800935541.db2.gz JWUMCHKPOMPWEW-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226372 800935542 /nfs/dbraw/zinc/93/55/42/800935542.db2.gz JWUMCHKPOMPWEW-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155789187 801050961 /nfs/dbraw/zinc/05/09/61/801050961.db2.gz AYDNKJATIFKHEH-NSHDSACASA-N 2 1 259.781 0.929 20 30 CCEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156884299 801253601 /nfs/dbraw/zinc/25/36/01/801253601.db2.gz XRJLFGPHZZBGRW-OLZOCXBDSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156884299 801253604 /nfs/dbraw/zinc/25/36/04/801253604.db2.gz XRJLFGPHZZBGRW-OLZOCXBDSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156884299 801253607 /nfs/dbraw/zinc/25/36/07/801253607.db2.gz XRJLFGPHZZBGRW-OLZOCXBDSA-N 2 1 253.390 0.951 20 30 CCEDMP N#Cc1ccc2c(c1)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001157936505 801532028 /nfs/dbraw/zinc/53/20/28/801532028.db2.gz GXQWUMCNDZBCCE-ZDUSSCGKSA-N 2 1 258.325 0.119 20 30 CCEDMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccccc3C#N)C[C@H]2C1 ZINC001160705370 802007463 /nfs/dbraw/zinc/00/74/63/802007463.db2.gz WLMFIMPRMANGCQ-XHSDSOJGSA-N 2 1 298.390 0.448 20 30 CCEDMP CCCCN(CC#N)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160728373 802012155 /nfs/dbraw/zinc/01/21/55/802012155.db2.gz CAAIKRHYMPXMSR-UHFFFAOYSA-N 2 1 252.362 0.480 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161558277 802182866 /nfs/dbraw/zinc/18/28/66/802182866.db2.gz COLRWYYBRHWHAO-UHFFFAOYSA-N 2 1 266.345 0.632 20 30 CCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163940531 802637462 /nfs/dbraw/zinc/63/74/62/802637462.db2.gz NTIFTWXSNXRKFM-AWEZNQCLSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940531 802637467 /nfs/dbraw/zinc/63/74/67/802637467.db2.gz NTIFTWXSNXRKFM-AWEZNQCLSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001165509104 802848603 /nfs/dbraw/zinc/84/86/03/802848603.db2.gz JOXJVCWBSPOWQW-UHFFFAOYSA-N 2 1 277.412 0.980 20 30 CCEDMP N#Cc1cccc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205946497 803189531 /nfs/dbraw/zinc/18/95/31/803189531.db2.gz MVLJMTJPOMOXAE-HUUCEWRRSA-N 2 1 259.353 0.885 20 30 CCEDMP N#Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206468468 803248091 /nfs/dbraw/zinc/24/80/91/803248091.db2.gz IRZBYATUVDPBMO-XHDPSFHLSA-N 2 1 270.336 0.791 20 30 CCEDMP N#Cc1ccc2[nH]cc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206468468 803248097 /nfs/dbraw/zinc/24/80/97/803248097.db2.gz IRZBYATUVDPBMO-XHDPSFHLSA-N 2 1 270.336 0.791 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001206588008 803270361 /nfs/dbraw/zinc/27/03/61/803270361.db2.gz UYISAYROYVVFHC-UHFFFAOYSA-N 2 1 293.411 0.170 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207567939 803421512 /nfs/dbraw/zinc/42/15/12/803421512.db2.gz HGJNDYBVMSAGFF-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207567939 803421516 /nfs/dbraw/zinc/42/15/16/803421516.db2.gz HGJNDYBVMSAGFF-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207567939 803421521 /nfs/dbraw/zinc/42/15/21/803421521.db2.gz HGJNDYBVMSAGFF-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207610155 803423920 /nfs/dbraw/zinc/42/39/20/803423920.db2.gz MQYMGKBLPWHFSR-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208699894 803537322 /nfs/dbraw/zinc/53/73/22/803537322.db2.gz YQSMOAMCQUJUQD-MCIONIFRSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001276596248 803551228 /nfs/dbraw/zinc/55/12/28/803551228.db2.gz WZXSFVXCHTVJHM-LSDHHAIUSA-N 2 1 277.412 0.978 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298931 803647068 /nfs/dbraw/zinc/64/70/68/803647068.db2.gz UYRPDISXYPPMNM-ZIAGYGMSSA-N 2 1 283.416 0.577 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211370962 803677625 /nfs/dbraw/zinc/67/76/25/803677625.db2.gz FSOHTFBREIBUCA-CHWSQXEVSA-N 2 1 253.390 0.949 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211370962 803677628 /nfs/dbraw/zinc/67/76/28/803677628.db2.gz FSOHTFBREIBUCA-CHWSQXEVSA-N 2 1 253.390 0.949 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211370962 803677631 /nfs/dbraw/zinc/67/76/31/803677631.db2.gz FSOHTFBREIBUCA-CHWSQXEVSA-N 2 1 253.390 0.949 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861505 803761401 /nfs/dbraw/zinc/76/14/01/803761401.db2.gz UWDUVPKVCAPBRQ-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C[N@H+]1[C@@H]2C[C@@H](OC[C@@H]3CCC[NH2+]C3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001217879174 803922338 /nfs/dbraw/zinc/92/23/38/803922338.db2.gz OMOHBFXMBWHGBN-HUXGKSLCSA-N 2 1 252.358 0.615 20 30 CCEDMP C[N@@H+]1[C@@H]2C[C@@H](OC[C@@H]3CCC[NH2+]C3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001217879174 803922345 /nfs/dbraw/zinc/92/23/45/803922345.db2.gz OMOHBFXMBWHGBN-HUXGKSLCSA-N 2 1 252.358 0.615 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218532093 803991445 /nfs/dbraw/zinc/99/14/45/803991445.db2.gz CEOOOTSFKLZMEJ-KRTXAFLBSA-N 2 1 264.354 0.248 20 30 CCEDMP N#C[C@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001219557934 804347992 /nfs/dbraw/zinc/34/79/92/804347992.db2.gz GEPOBGVGQOTNKU-AWEZNQCLSA-N 2 1 272.352 0.709 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219868883 804435016 /nfs/dbraw/zinc/43/50/16/804435016.db2.gz CJNQYGFYGCGQOF-UPJWGTAASA-N 2 1 269.389 0.064 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219903291 804444028 /nfs/dbraw/zinc/44/40/28/804444028.db2.gz XMPXIICBKKAVTP-OLZOCXBDSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219903291 804444032 /nfs/dbraw/zinc/44/40/32/804444032.db2.gz XMPXIICBKKAVTP-OLZOCXBDSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219903291 804444035 /nfs/dbraw/zinc/44/40/35/804444035.db2.gz XMPXIICBKKAVTP-OLZOCXBDSA-N 2 1 283.416 0.454 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001220062296 804491335 /nfs/dbraw/zinc/49/13/35/804491335.db2.gz UGOSHGQOUBYKKX-JSGCOSHPSA-N 2 1 251.374 0.718 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777220 804842639 /nfs/dbraw/zinc/84/26/39/804842639.db2.gz YMNRZOBGIFYMGR-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN[C@H](C#N)C1 ZINC001246305033 807215186 /nfs/dbraw/zinc/21/51/86/807215186.db2.gz OEEQOPHBEKCIOG-IHRRRGAJSA-N 2 1 294.399 0.447 20 30 CCEDMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC#CC[NH+](C)C ZINC001251708112 807697063 /nfs/dbraw/zinc/69/70/63/807697063.db2.gz KKFFBGHHCXPARG-ZDUSSCGKSA-N 2 1 266.389 0.287 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038117676 815154260 /nfs/dbraw/zinc/15/42/60/815154260.db2.gz PPSSPRGIPHNFQP-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038117676 815154264 /nfs/dbraw/zinc/15/42/64/815154264.db2.gz PPSSPRGIPHNFQP-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038117676 815154267 /nfs/dbraw/zinc/15/42/67/815154267.db2.gz PPSSPRGIPHNFQP-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001278778982 808222354 /nfs/dbraw/zinc/22/23/54/808222354.db2.gz DQHLYEBKEXSDAG-CQSZACIVSA-N 2 1 294.399 0.567 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278787885 808244985 /nfs/dbraw/zinc/24/49/85/808244985.db2.gz XJYMNMCUALZLAQ-OAHLLOKOSA-N 2 1 295.427 0.600 20 30 CCEDMP CC(C)C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)C(=O)NO ZINC001254514204 808251948 /nfs/dbraw/zinc/25/19/48/808251948.db2.gz JJCCWPDCGCHYKB-RYUDHWBXSA-N 2 1 257.378 0.980 20 30 CCEDMP CC(C)C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)C(=O)NO ZINC001254514204 808251956 /nfs/dbraw/zinc/25/19/56/808251956.db2.gz JJCCWPDCGCHYKB-RYUDHWBXSA-N 2 1 257.378 0.980 20 30 CCEDMP C=CCC[NH+]1CC[C@@](O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001278815916 808280523 /nfs/dbraw/zinc/28/05/23/808280523.db2.gz LFSZKTVNDUKKCA-OAHLLOKOSA-N 2 1 283.416 0.457 20 30 CCEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001278815916 808280528 /nfs/dbraw/zinc/28/05/28/808280528.db2.gz LFSZKTVNDUKKCA-OAHLLOKOSA-N 2 1 283.416 0.457 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001278815916 808280532 /nfs/dbraw/zinc/28/05/32/808280532.db2.gz LFSZKTVNDUKKCA-OAHLLOKOSA-N 2 1 283.416 0.457 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256584411 808536986 /nfs/dbraw/zinc/53/69/86/808536986.db2.gz DDEDDGBIBYTXKO-KGLIPLIRSA-N 2 1 278.400 0.430 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001076045936 815237541 /nfs/dbraw/zinc/23/75/41/815237541.db2.gz YJIKETVUKYOURL-UONOGXRCSA-N 2 1 274.368 0.910 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001076045936 815237548 /nfs/dbraw/zinc/23/75/48/815237548.db2.gz YJIKETVUKYOURL-UONOGXRCSA-N 2 1 274.368 0.910 20 30 CCEDMP C=CC[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1C ZINC001265068644 809703086 /nfs/dbraw/zinc/70/30/86/809703086.db2.gz PWUBGPLGPWSQHR-UHFFFAOYSA-N 2 1 250.346 0.816 20 30 CCEDMP C=CC[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1C ZINC001265068644 809703088 /nfs/dbraw/zinc/70/30/88/809703088.db2.gz PWUBGPLGPWSQHR-UHFFFAOYSA-N 2 1 250.346 0.816 20 30 CCEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001265507162 809794832 /nfs/dbraw/zinc/79/48/32/809794832.db2.gz GMMKVFLNDZOHLF-KKUMJFAQSA-N 2 1 295.427 0.910 20 30 CCEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001265507162 809794834 /nfs/dbraw/zinc/79/48/34/809794834.db2.gz GMMKVFLNDZOHLF-KKUMJFAQSA-N 2 1 295.427 0.910 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265604589 809813190 /nfs/dbraw/zinc/81/31/90/809813190.db2.gz GNFLRVLXYWWDTO-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265604589 809813198 /nfs/dbraw/zinc/81/31/98/809813198.db2.gz GNFLRVLXYWWDTO-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266134347 809945347 /nfs/dbraw/zinc/94/53/47/809945347.db2.gz WEDXONJGXJTSFQ-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266134347 809945350 /nfs/dbraw/zinc/94/53/50/809945350.db2.gz WEDXONJGXJTSFQ-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001266174655 809956118 /nfs/dbraw/zinc/95/61/18/809956118.db2.gz PKKNKNNBPBVMBH-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001266174655 809956121 /nfs/dbraw/zinc/95/61/21/809956121.db2.gz PKKNKNNBPBVMBH-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266174655 809956123 /nfs/dbraw/zinc/95/61/23/809956123.db2.gz PKKNKNNBPBVMBH-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001266240076 809969753 /nfs/dbraw/zinc/96/97/53/809969753.db2.gz OFWUNWHYUCHHRX-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001266240076 809969760 /nfs/dbraw/zinc/96/97/60/809969760.db2.gz OFWUNWHYUCHHRX-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001279408646 809977361 /nfs/dbraw/zinc/97/73/61/809977361.db2.gz GYKBYKRBWAAUNJ-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509220 809984094 /nfs/dbraw/zinc/98/40/94/809984094.db2.gz IPVIUAINMRWEJV-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001267280209 811087020 /nfs/dbraw/zinc/08/70/20/811087020.db2.gz BJTOOJROCUKDSU-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001267280209 811087031 /nfs/dbraw/zinc/08/70/31/811087031.db2.gz BJTOOJROCUKDSU-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001267280209 811087040 /nfs/dbraw/zinc/08/70/40/811087040.db2.gz BJTOOJROCUKDSU-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCN1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001008530629 811904598 /nfs/dbraw/zinc/90/45/98/811904598.db2.gz BGWLAQRFBDUJPC-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008530629 811904603 /nfs/dbraw/zinc/90/46/03/811904603.db2.gz BGWLAQRFBDUJPC-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008530629 811904612 /nfs/dbraw/zinc/90/46/12/811904612.db2.gz BGWLAQRFBDUJPC-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008530629 811904616 /nfs/dbraw/zinc/90/46/16/811904616.db2.gz BGWLAQRFBDUJPC-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267982318 811922321 /nfs/dbraw/zinc/92/23/21/811922321.db2.gz CVFTWUYATUMQLJ-KGLIPLIRSA-N 2 1 283.416 0.625 20 30 CCEDMP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267982318 811922325 /nfs/dbraw/zinc/92/23/25/811922325.db2.gz CVFTWUYATUMQLJ-KGLIPLIRSA-N 2 1 283.416 0.625 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001268026499 812002791 /nfs/dbraw/zinc/00/27/91/812002791.db2.gz VBHXJVJXJSEDDM-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001268026499 812002797 /nfs/dbraw/zinc/00/27/97/812002797.db2.gz VBHXJVJXJSEDDM-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001268042423 812077640 /nfs/dbraw/zinc/07/76/40/812077640.db2.gz QJUDJUYSFHXCEN-CQSZACIVSA-N 2 1 277.412 0.980 20 30 CCEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966372 812172889 /nfs/dbraw/zinc/17/28/89/812172889.db2.gz OCYRKKAZOVNVLI-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966372 812172895 /nfs/dbraw/zinc/17/28/95/812172895.db2.gz OCYRKKAZOVNVLI-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966372 812172904 /nfs/dbraw/zinc/17/29/04/812172904.db2.gz OCYRKKAZOVNVLI-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966372 812172909 /nfs/dbraw/zinc/17/29/09/812172909.db2.gz OCYRKKAZOVNVLI-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268303650 812466629 /nfs/dbraw/zinc/46/66/29/812466629.db2.gz BQXGBTFIKHYRDE-STQMWFEESA-N 2 1 269.389 0.112 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001268322778 812487302 /nfs/dbraw/zinc/48/73/02/812487302.db2.gz ZPHHSNJKKYDNMA-HUUCEWRRSA-N 2 1 297.443 0.751 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447765 812710293 /nfs/dbraw/zinc/71/02/93/812710293.db2.gz TUNFRFHGSKKOLE-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447765 812710296 /nfs/dbraw/zinc/71/02/96/812710296.db2.gz TUNFRFHGSKKOLE-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCC[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268590007 812877093 /nfs/dbraw/zinc/87/70/93/812877093.db2.gz BOARTECLLBRZPG-GJBLVYBDSA-N 2 1 263.385 0.614 20 30 CCEDMP C#CCC[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1C ZINC001268625009 812952493 /nfs/dbraw/zinc/95/24/93/812952493.db2.gz JVVKNBOTEHBTFK-AATRIKPKSA-N 2 1 260.341 0.477 20 30 CCEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001269511421 813398142 /nfs/dbraw/zinc/39/81/42/813398142.db2.gz YAUXZXMABKAAOI-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001270150095 813652799 /nfs/dbraw/zinc/65/27/99/813652799.db2.gz CFWFLWKSUIAXAJ-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028930545 813669399 /nfs/dbraw/zinc/66/93/99/813669399.db2.gz YWNAZYFHFZTZIU-CYBMUJFWSA-N 2 1 263.385 0.706 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028983226 813722771 /nfs/dbraw/zinc/72/27/71/813722771.db2.gz ARSYLZAOCFTCQY-KBPBESRZSA-N 2 1 263.385 0.400 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028983226 813722773 /nfs/dbraw/zinc/72/27/73/813722773.db2.gz ARSYLZAOCFTCQY-KBPBESRZSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001271066847 814135860 /nfs/dbraw/zinc/13/58/60/814135860.db2.gz AUSMGHDRTFYAEF-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168022389 814206394 /nfs/dbraw/zinc/20/63/94/814206394.db2.gz ODYPAAQHTFFVCD-KGLIPLIRSA-N 2 1 263.385 0.732 20 30 CCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271380163 814398205 /nfs/dbraw/zinc/39/82/05/814398205.db2.gz GHUSVTPCJMCHIR-ZDUSSCGKSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001271965464 814655179 /nfs/dbraw/zinc/65/51/79/814655179.db2.gz MAIWPLBWLNZUBP-ZBFHGGJFSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105941586 816017191 /nfs/dbraw/zinc/01/71/91/816017191.db2.gz CSSLRRORYVVXQT-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675022 817237391 /nfs/dbraw/zinc/23/73/91/817237391.db2.gz RVGGQPPJRKXVMA-OAHLLOKOSA-N 2 1 275.396 0.400 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681437 817241138 /nfs/dbraw/zinc/24/11/38/817241138.db2.gz RRMQPVIOQOJCRC-TZMCWYRMSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032044472 817576535 /nfs/dbraw/zinc/57/65/35/817576535.db2.gz RXIFQNOWSRSXCX-LSDHHAIUSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032044472 817576540 /nfs/dbraw/zinc/57/65/40/817576540.db2.gz RXIFQNOWSRSXCX-LSDHHAIUSA-N 2 1 275.396 0.685 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009352 817645280 /nfs/dbraw/zinc/64/52/80/817645280.db2.gz QICORAUYOSHCMW-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009352 817645282 /nfs/dbraw/zinc/64/52/82/817645282.db2.gz QICORAUYOSHCMW-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001203456351 817971296 /nfs/dbraw/zinc/97/12/96/817971296.db2.gz WBWZSVPFUHAJJK-UHFFFAOYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001273019052 818433833 /nfs/dbraw/zinc/43/38/33/818433833.db2.gz RMWSBPLJSWDLMT-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2C(C)C)[C@@H](O)C1 ZINC001083823300 818461887 /nfs/dbraw/zinc/46/18/87/818461887.db2.gz QRMMBJBYBHHSBV-OLZOCXBDSA-N 2 1 292.383 0.354 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2C(C)C)[C@@H](O)C1 ZINC001083823300 818461894 /nfs/dbraw/zinc/46/18/94/818461894.db2.gz QRMMBJBYBHHSBV-OLZOCXBDSA-N 2 1 292.383 0.354 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033396134 818752736 /nfs/dbraw/zinc/75/27/36/818752736.db2.gz MMSNUSOHLHRLLV-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033839847 818963811 /nfs/dbraw/zinc/96/38/11/818963811.db2.gz WCZNRNADENTVKO-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](CC#CCOC)CC1 ZINC001229895271 819321961 /nfs/dbraw/zinc/32/19/61/819321961.db2.gz IOJQCZXDWYYWRR-UHFFFAOYSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080383591 820558497 /nfs/dbraw/zinc/55/84/97/820558497.db2.gz LILBDBZOMLPBDA-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326942 820939899 /nfs/dbraw/zinc/93/98/99/820939899.db2.gz VZFJNRAHZKTPOT-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326942 820939906 /nfs/dbraw/zinc/93/99/06/820939906.db2.gz VZFJNRAHZKTPOT-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326942 820939915 /nfs/dbraw/zinc/93/99/15/820939915.db2.gz VZFJNRAHZKTPOT-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090393966 821093467 /nfs/dbraw/zinc/09/34/67/821093467.db2.gz SAQPKYOLOLIINC-KGLIPLIRSA-N 2 1 293.411 0.352 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001084833268 821406627 /nfs/dbraw/zinc/40/66/27/821406627.db2.gz WFDHKJHNGVWOOW-ZIAGYGMSSA-N 2 1 274.368 0.910 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001084833268 821406630 /nfs/dbraw/zinc/40/66/30/821406630.db2.gz WFDHKJHNGVWOOW-ZIAGYGMSSA-N 2 1 274.368 0.910 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871864 821465544 /nfs/dbraw/zinc/46/55/44/821465544.db2.gz LEVSVDVMICWFKH-KBPBESRZSA-N 2 1 295.427 0.598 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085092795 821493455 /nfs/dbraw/zinc/49/34/55/821493455.db2.gz QCIKWDNDTNBZRF-KFWWJZLASA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092795 821493460 /nfs/dbraw/zinc/49/34/60/821493460.db2.gz QCIKWDNDTNBZRF-KFWWJZLASA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092795 821493473 /nfs/dbraw/zinc/49/34/73/821493473.db2.gz QCIKWDNDTNBZRF-KFWWJZLASA-N 2 1 275.396 0.494 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927251 822021141 /nfs/dbraw/zinc/02/11/41/822021141.db2.gz SBHNTAQHKBPFAR-CYBMUJFWSA-N 2 1 263.385 0.801 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927251 822021150 /nfs/dbraw/zinc/02/11/50/822021150.db2.gz SBHNTAQHKBPFAR-CYBMUJFWSA-N 2 1 263.385 0.801 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001086085560 822106549 /nfs/dbraw/zinc/10/65/49/822106549.db2.gz JHOHKKUZDBVSBE-WCVJEAGWSA-N 2 1 289.423 0.978 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086091928 822111680 /nfs/dbraw/zinc/11/16/80/822111680.db2.gz SNUFQVULSGAKHN-LXTVHRRPSA-N 2 1 293.411 0.520 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129326999 822136380 /nfs/dbraw/zinc/13/63/80/822136380.db2.gz DHIXQQAPLLHTCQ-CQSZACIVSA-N 2 1 265.401 0.693 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001169463779 836296493 /nfs/dbraw/zinc/29/64/93/836296493.db2.gz HXNNCFLKFAYYNV-UHFFFAOYSA-N 2 1 283.335 0.610 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184309613 844199311 /nfs/dbraw/zinc/19/93/11/844199311.db2.gz HTISSEUZKJUDMG-CQSZACIVSA-N 2 1 292.383 0.585 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859257 838505716 /nfs/dbraw/zinc/50/57/16/838505716.db2.gz ZAWQXZAQDOIVOZ-GFCCVEGCSA-N 2 1 289.807 0.554 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133862733 838753066 /nfs/dbraw/zinc/75/30/66/838753066.db2.gz FRVHYEQVBZUOHV-QWHCGFSZSA-N 2 1 269.389 0.093 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134121243 838878843 /nfs/dbraw/zinc/87/88/43/838878843.db2.gz UHLQYOYPUAZLCU-CVEARBPZSA-N 2 1 285.391 0.671 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001135272490 839192558 /nfs/dbraw/zinc/19/25/58/839192558.db2.gz QZEJIXSRPCHVKX-AWEZNQCLSA-N 2 1 281.400 0.427 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185651165 844441747 /nfs/dbraw/zinc/44/17/47/844441747.db2.gz VJVHJPROMIOCQN-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090537688 839625712 /nfs/dbraw/zinc/62/57/12/839625712.db2.gz MYUJVRNROFCOJJ-LSDHHAIUSA-N 2 1 295.427 0.456 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160273264 839742407 /nfs/dbraw/zinc/74/24/07/839742407.db2.gz KEEZNGBNXBISJD-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086873760 840934030 /nfs/dbraw/zinc/93/40/30/840934030.db2.gz YNDBVKGMZWUTAZ-MELADBBJSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272563 841004765 /nfs/dbraw/zinc/00/47/65/841004765.db2.gz FTDAIFBNTIDQEE-FMKPAKJESA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272563 841004770 /nfs/dbraw/zinc/00/47/70/841004770.db2.gz FTDAIFBNTIDQEE-FMKPAKJESA-N 2 1 275.396 0.352 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092504588 841030584 /nfs/dbraw/zinc/03/05/84/841030584.db2.gz SIOFUPSYDNKXMB-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092504588 841030590 /nfs/dbraw/zinc/03/05/90/841030590.db2.gz SIOFUPSYDNKXMB-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092504588 841030597 /nfs/dbraw/zinc/03/05/97/841030597.db2.gz SIOFUPSYDNKXMB-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896367 841662846 /nfs/dbraw/zinc/66/28/46/841662846.db2.gz NWIILBRLXPXMIG-CABCVRRESA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896367 841662850 /nfs/dbraw/zinc/66/28/50/841662850.db2.gz NWIILBRLXPXMIG-CABCVRRESA-N 2 1 286.379 0.748 20 30 CCEDMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H](C)CCCC#N ZINC001172478825 841930915 /nfs/dbraw/zinc/93/09/15/841930915.db2.gz HXRFFCMKYIWBIU-MNOVXSKESA-N 2 1 283.376 0.463 20 30 CCEDMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C[NH3+])C[C@H]1C#N ZINC001172966113 841990308 /nfs/dbraw/zinc/99/03/08/841990308.db2.gz MKARIALUDOVXNF-GRYCIOLGSA-N 2 1 298.387 0.187 20 30 CCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176685439 842398210 /nfs/dbraw/zinc/39/82/10/842398210.db2.gz BOQBNWSTTBPXIG-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176685439 842398220 /nfs/dbraw/zinc/39/82/20/842398220.db2.gz BOQBNWSTTBPXIG-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178107673 842759161 /nfs/dbraw/zinc/75/91/61/842759161.db2.gz VWGXSXAFISBPEV-CQSZACIVSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178107673 842759167 /nfs/dbraw/zinc/75/91/67/842759167.db2.gz VWGXSXAFISBPEV-CQSZACIVSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180138545 843105423 /nfs/dbraw/zinc/10/54/23/843105423.db2.gz ICCDAIBRLDSUAS-MJBXVCDLSA-N 2 1 263.385 0.540 20 30 CCEDMP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048427 843546461 /nfs/dbraw/zinc/54/64/61/843546461.db2.gz BAFLHQUVMXSPDR-SNVBAGLBSA-N 2 1 290.205 0.553 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001182692275 843895517 /nfs/dbraw/zinc/89/55/17/843895517.db2.gz GRDXXCYYBGVGPB-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001183045437 843956386 /nfs/dbraw/zinc/95/63/86/843956386.db2.gz ZWRNDFJRGYKVFH-OKILXGFUSA-N 2 1 263.385 0.658 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046313 845768403 /nfs/dbraw/zinc/76/84/03/845768403.db2.gz MRBMRBTXOKIUFB-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001752 846201999 /nfs/dbraw/zinc/20/19/99/846201999.db2.gz KDVPATGBVAMNQE-HUUCEWRRSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194001752 846202005 /nfs/dbraw/zinc/20/20/05/846202005.db2.gz KDVPATGBVAMNQE-HUUCEWRRSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194001752 846202007 /nfs/dbraw/zinc/20/20/07/846202007.db2.gz KDVPATGBVAMNQE-HUUCEWRRSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197791243 846966325 /nfs/dbraw/zinc/96/63/25/846966325.db2.gz DOTXQCZNXSWHPK-RRFJBIMHSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197791243 846966326 /nfs/dbraw/zinc/96/63/26/846966326.db2.gz DOTXQCZNXSWHPK-RRFJBIMHSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197791243 846966329 /nfs/dbraw/zinc/96/63/29/846966329.db2.gz DOTXQCZNXSWHPK-RRFJBIMHSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199344253 847292393 /nfs/dbraw/zinc/29/23/93/847292393.db2.gz CYVMTLVTMOCOKR-HUUCEWRRSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199344253 847292402 /nfs/dbraw/zinc/29/24/02/847292402.db2.gz CYVMTLVTMOCOKR-HUUCEWRRSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864364 847820535 /nfs/dbraw/zinc/82/05/35/847820535.db2.gz WEVGPOFVWXLBPH-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110667827 847953378 /nfs/dbraw/zinc/95/33/78/847953378.db2.gz MAGVEHVDTFNYEG-KFWWJZLASA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110667827 847953388 /nfs/dbraw/zinc/95/33/88/847953388.db2.gz MAGVEHVDTFNYEG-KFWWJZLASA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110667827 847953398 /nfs/dbraw/zinc/95/33/98/847953398.db2.gz MAGVEHVDTFNYEG-KFWWJZLASA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110667827 847953404 /nfs/dbraw/zinc/95/34/04/847953404.db2.gz MAGVEHVDTFNYEG-KFWWJZLASA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114442343 848066077 /nfs/dbraw/zinc/06/60/77/848066077.db2.gz DYQAZUFFELFFSX-YJNKXOJESA-N 2 1 277.412 0.642 20 30 CCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001274269049 848434521 /nfs/dbraw/zinc/43/45/21/848434521.db2.gz IAQIBCXZNGCXID-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001275210562 848668053 /nfs/dbraw/zinc/66/80/53/848668053.db2.gz ZOXYOPFCNCUCRH-WXRRBKDZSA-N 2 1 251.374 0.751 20 30 CCEDMP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001275232928 848675118 /nfs/dbraw/zinc/67/51/18/848675118.db2.gz HHHLLVKSCAVJFW-BLYZHGLHSA-N 2 1 265.401 0.997 20 30 CCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981642 849037008 /nfs/dbraw/zinc/03/70/08/849037008.db2.gz WIVBQSXQOUVJTB-KFWWJZLASA-N 2 1 293.411 0.309 20 30 CCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981642 849037016 /nfs/dbraw/zinc/03/70/16/849037016.db2.gz WIVBQSXQOUVJTB-KFWWJZLASA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114854823 849440666 /nfs/dbraw/zinc/44/06/66/849440666.db2.gz RFZSZSAHMKJGOC-RFQIPJPRSA-N 2 1 263.385 0.396 20 30 CCEDMP COCC#CCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001276360949 849450887 /nfs/dbraw/zinc/45/08/87/849450887.db2.gz NHQYFPPAHJKVCX-DZGCQCFKSA-N 2 1 293.411 0.167 20 30 CCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001276360949 849450889 /nfs/dbraw/zinc/45/08/89/849450889.db2.gz NHQYFPPAHJKVCX-DZGCQCFKSA-N 2 1 293.411 0.167 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[C@@H]1CCCCO1 ZINC000305873265 849520234 /nfs/dbraw/zinc/52/02/34/849520234.db2.gz PLXQPUSXVSMYSJ-AWEZNQCLSA-N 2 1 298.431 0.572 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039028874 850128308 /nfs/dbraw/zinc/12/83/08/850128308.db2.gz RYGXZOJKARTQNQ-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028874 850128313 /nfs/dbraw/zinc/12/83/13/850128313.db2.gz RYGXZOJKARTQNQ-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028874 850128317 /nfs/dbraw/zinc/12/83/17/850128317.db2.gz RYGXZOJKARTQNQ-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C2)C1 ZINC001041369687 850438601 /nfs/dbraw/zinc/43/86/01/850438601.db2.gz BHXAGBKGDWRZLU-WMZOPIPTSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C2)C1 ZINC001041369687 850438605 /nfs/dbraw/zinc/43/86/05/850438605.db2.gz BHXAGBKGDWRZLU-WMZOPIPTSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC#C)C2)C1 ZINC001041369687 850438611 /nfs/dbraw/zinc/43/86/11/850438611.db2.gz BHXAGBKGDWRZLU-WMZOPIPTSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC#C)C2)C1 ZINC001041369687 850438615 /nfs/dbraw/zinc/43/86/15/850438615.db2.gz BHXAGBKGDWRZLU-WMZOPIPTSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046417311 851497411 /nfs/dbraw/zinc/49/74/11/851497411.db2.gz LLZMLHFXYIRYNE-FMKPAKJESA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046417311 851497416 /nfs/dbraw/zinc/49/74/16/851497416.db2.gz LLZMLHFXYIRYNE-FMKPAKJESA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046417311 851497420 /nfs/dbraw/zinc/49/74/20/851497420.db2.gz LLZMLHFXYIRYNE-FMKPAKJESA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046417311 851497424 /nfs/dbraw/zinc/49/74/24/851497424.db2.gz LLZMLHFXYIRYNE-FMKPAKJESA-N 2 1 293.411 0.309 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047324194 851716133 /nfs/dbraw/zinc/71/61/33/851716133.db2.gz LICVXTAWTPHLOY-IHRRRGAJSA-N 2 1 281.400 0.160 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cnc2C)C1 ZINC001047612115 851835862 /nfs/dbraw/zinc/83/58/62/851835862.db2.gz VDUOECCSNJTOOX-KBPBESRZSA-N 2 1 292.383 0.340 20 30 CCEDMP C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cnc2C)C1 ZINC001047612115 851835866 /nfs/dbraw/zinc/83/58/66/851835866.db2.gz VDUOECCSNJTOOX-KBPBESRZSA-N 2 1 292.383 0.340 20 30 CCEDMP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001047638529 851843774 /nfs/dbraw/zinc/84/37/74/851843774.db2.gz XBZNQJUCKJCGEQ-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001047638529 851843799 /nfs/dbraw/zinc/84/37/99/851843799.db2.gz XBZNQJUCKJCGEQ-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001047638529 851843809 /nfs/dbraw/zinc/84/38/09/851843809.db2.gz XBZNQJUCKJCGEQ-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001047638529 851843816 /nfs/dbraw/zinc/84/38/16/851843816.db2.gz XBZNQJUCKJCGEQ-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829534 852076256 /nfs/dbraw/zinc/07/62/56/852076256.db2.gz RXROJCGPSRILGO-APIJFGDWSA-N 2 1 277.412 0.903 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829534 852076259 /nfs/dbraw/zinc/07/62/59/852076259.db2.gz RXROJCGPSRILGO-APIJFGDWSA-N 2 1 277.412 0.903 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829534 852076262 /nfs/dbraw/zinc/07/62/62/852076262.db2.gz RXROJCGPSRILGO-APIJFGDWSA-N 2 1 277.412 0.903 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049025248 852140605 /nfs/dbraw/zinc/14/06/05/852140605.db2.gz QBXLUVLZNANZHX-GASCZTMLSA-N 2 1 277.412 0.904 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001052865616 852663949 /nfs/dbraw/zinc/66/39/49/852663949.db2.gz QDLZARCKAVQXCO-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052865616 852663956 /nfs/dbraw/zinc/66/39/56/852663956.db2.gz QDLZARCKAVQXCO-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052865616 852663964 /nfs/dbraw/zinc/66/39/64/852663964.db2.gz QDLZARCKAVQXCO-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001052932267 852671865 /nfs/dbraw/zinc/67/18/65/852671865.db2.gz KPXXLLZZHVQGQL-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052932267 852671869 /nfs/dbraw/zinc/67/18/69/852671869.db2.gz KPXXLLZZHVQGQL-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052932267 852671873 /nfs/dbraw/zinc/67/18/73/852671873.db2.gz KPXXLLZZHVQGQL-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001054833897 853020482 /nfs/dbraw/zinc/02/04/82/853020482.db2.gz NAODVOXPNMFBGF-FZMZJTMJSA-N 2 1 292.383 0.972 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052386717 853744622 /nfs/dbraw/zinc/74/46/22/853744622.db2.gz QZWOMLHBPDJFIL-JKSUJKDBSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072814458 854470766 /nfs/dbraw/zinc/47/07/66/854470766.db2.gz FQWSJTHIWBSPAF-HNNXBMFYSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001073427878 854556715 /nfs/dbraw/zinc/55/67/15/854556715.db2.gz LELJCXSQHFNHGG-CYBMUJFWSA-N 2 1 261.369 0.106 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073427878 854556716 /nfs/dbraw/zinc/55/67/16/854556716.db2.gz LELJCXSQHFNHGG-CYBMUJFWSA-N 2 1 261.369 0.106 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073427878 854556717 /nfs/dbraw/zinc/55/67/17/854556717.db2.gz LELJCXSQHFNHGG-CYBMUJFWSA-N 2 1 261.369 0.106 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001073428130 854558814 /nfs/dbraw/zinc/55/88/14/854558814.db2.gz XKRJGMHNMKHMNT-CYBMUJFWSA-N 2 1 263.385 0.658 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073428130 854558817 /nfs/dbraw/zinc/55/88/17/854558817.db2.gz XKRJGMHNMKHMNT-CYBMUJFWSA-N 2 1 263.385 0.658 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073428130 854558821 /nfs/dbraw/zinc/55/88/21/854558821.db2.gz XKRJGMHNMKHMNT-CYBMUJFWSA-N 2 1 263.385 0.658 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073555080 854591767 /nfs/dbraw/zinc/59/17/67/854591767.db2.gz VALGAJJACDPYCQ-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073555080 854591770 /nfs/dbraw/zinc/59/17/70/854591770.db2.gz VALGAJJACDPYCQ-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001073555080 854591774 /nfs/dbraw/zinc/59/17/74/854591774.db2.gz VALGAJJACDPYCQ-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001073661697 854627414 /nfs/dbraw/zinc/62/74/14/854627414.db2.gz BUAHTHVOMGGSAY-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661697 854627415 /nfs/dbraw/zinc/62/74/15/854627415.db2.gz BUAHTHVOMGGSAY-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661697 854627418 /nfs/dbraw/zinc/62/74/18/854627418.db2.gz BUAHTHVOMGGSAY-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100048170 855085301 /nfs/dbraw/zinc/08/53/01/855085301.db2.gz GYBDKSNMKFKQGV-QWHCGFSZSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100076134 855095113 /nfs/dbraw/zinc/09/51/13/855095113.db2.gz GYXIDYUHBAUELD-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100126824 855103732 /nfs/dbraw/zinc/10/37/32/855103732.db2.gz NMGKQIRLZXQBBG-HUUCEWRRSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001100678730 855207759 /nfs/dbraw/zinc/20/77/59/855207759.db2.gz VKIUBTCVMMTGEY-NFOMZHRRSA-N 2 1 277.412 0.836 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001101009705 855254200 /nfs/dbraw/zinc/25/42/00/855254200.db2.gz ZPEJFCXVGCUNFI-NRXISQOPSA-N 2 1 293.411 0.215 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001101009705 855254203 /nfs/dbraw/zinc/25/42/03/855254203.db2.gz ZPEJFCXVGCUNFI-NRXISQOPSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102085976 855415583 /nfs/dbraw/zinc/41/55/83/855415583.db2.gz KOQIVJBOWLNAEF-MGPQQGTHSA-N 2 1 265.401 0.644 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001323272100 912237026 /nfs/dbraw/zinc/23/70/26/912237026.db2.gz DOYSEIDEFRMBSH-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001323272100 912237042 /nfs/dbraw/zinc/23/70/42/912237042.db2.gz DOYSEIDEFRMBSH-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP COCC#CCN1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001323333459 912274194 /nfs/dbraw/zinc/27/41/94/912274194.db2.gz CRGNARHAVBLCTR-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CCN1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001323358051 912292500 /nfs/dbraw/zinc/29/25/00/912292500.db2.gz RAJSOIXASTZDJK-AWEZNQCLSA-N 2 1 290.367 0.032 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001323860725 912548109 /nfs/dbraw/zinc/54/81/09/912548109.db2.gz UQDBTUZABSKFSJ-MRXNPFEDSA-N 2 1 277.412 0.886 20 30 CCEDMP C=CCCC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001325850114 913606804 /nfs/dbraw/zinc/60/68/04/913606804.db2.gz VAKGELIBVOIJIH-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001481000321 892045743 /nfs/dbraw/zinc/04/57/43/892045743.db2.gz VIAUVPJVOMIPQX-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001481000321 892045759 /nfs/dbraw/zinc/04/57/59/892045759.db2.gz VIAUVPJVOMIPQX-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[NH+](CC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001481000321 892045777 /nfs/dbraw/zinc/04/57/77/892045777.db2.gz VIAUVPJVOMIPQX-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001481071207 892130367 /nfs/dbraw/zinc/13/03/67/892130367.db2.gz OMCAATWIZSUMLL-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001481071207 892130375 /nfs/dbraw/zinc/13/03/75/892130375.db2.gz OMCAATWIZSUMLL-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001481071207 892130377 /nfs/dbraw/zinc/13/03/77/892130377.db2.gz OMCAATWIZSUMLL-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001481816075 893181604 /nfs/dbraw/zinc/18/16/04/893181604.db2.gz JELWVEYGECRPEU-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482170058 893455054 /nfs/dbraw/zinc/45/50/54/893455054.db2.gz YPNRLROPFIALOB-CHWSQXEVSA-N 2 1 251.374 0.303 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCCO)C(C)C ZINC001482535563 894204611 /nfs/dbraw/zinc/20/46/11/894204611.db2.gz AVIBWXYWOPLVEJ-GJZGRUSLSA-N 2 1 295.427 0.197 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCCO)C(C)C ZINC001482535563 894204628 /nfs/dbraw/zinc/20/46/28/894204628.db2.gz AVIBWXYWOPLVEJ-GJZGRUSLSA-N 2 1 295.427 0.197 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082251 895681719 /nfs/dbraw/zinc/68/17/19/895681719.db2.gz NFZXVEQPYCCLEI-CYBMUJFWSA-N 2 1 251.374 0.588 20 30 CCEDMP C=CCOCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484070919 896182971 /nfs/dbraw/zinc/18/29/71/896182971.db2.gz IYOXVBOPLYADTO-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484070919 896182972 /nfs/dbraw/zinc/18/29/72/896182972.db2.gz IYOXVBOPLYADTO-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484070919 896182973 /nfs/dbraw/zinc/18/29/73/896182973.db2.gz IYOXVBOPLYADTO-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001484247806 896282406 /nfs/dbraw/zinc/28/24/06/896282406.db2.gz JASSGKONZWQFNU-INIZCTEOSA-N 2 1 295.427 0.295 20 30 CCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001484490417 896436458 /nfs/dbraw/zinc/43/64/58/896436458.db2.gz BUZBPTZJXNQFOA-CYBMUJFWSA-N 2 1 269.389 0.067 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCc2cncn2C)C[C@H]1C ZINC001484986163 896697279 /nfs/dbraw/zinc/69/72/79/896697279.db2.gz PXZNOTOEMFHRSX-ZIAGYGMSSA-N 2 1 288.395 0.955 20 30 CCEDMP COCC#CC[NH2+]CC1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001485110601 896789199 /nfs/dbraw/zinc/78/91/99/896789199.db2.gz OVXINRNLXSNQAP-UHFFFAOYSA-N 2 1 295.427 0.461 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001485372318 897012565 /nfs/dbraw/zinc/01/25/65/897012565.db2.gz SZVAFCOFLKMLNY-CQSZACIVSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001485578202 897123197 /nfs/dbraw/zinc/12/31/97/897123197.db2.gz SRIFTGAEUOMJCX-CQSZACIVSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001485578202 897123204 /nfs/dbraw/zinc/12/32/04/897123204.db2.gz SRIFTGAEUOMJCX-CQSZACIVSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001485626143 897155448 /nfs/dbraw/zinc/15/54/48/897155448.db2.gz FZLLCBYRRYZTEQ-QKDCVEJESA-N 2 1 286.379 0.509 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001485626143 897155454 /nfs/dbraw/zinc/15/54/54/897155454.db2.gz FZLLCBYRRYZTEQ-QKDCVEJESA-N 2 1 286.379 0.509 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212409588 897888171 /nfs/dbraw/zinc/88/81/71/897888171.db2.gz IOMSUOMDMYKSIL-MGPQQGTHSA-N 2 1 281.400 0.328 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212409588 897888184 /nfs/dbraw/zinc/88/81/84/897888184.db2.gz IOMSUOMDMYKSIL-MGPQQGTHSA-N 2 1 281.400 0.328 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)CCc2cnc[nH]2)CCC1 ZINC001326835254 914217811 /nfs/dbraw/zinc/21/78/11/914217811.db2.gz UFTMIUDZVSGZND-UHFFFAOYSA-N 2 1 260.341 0.604 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436865 898223583 /nfs/dbraw/zinc/22/35/83/898223583.db2.gz NQIWRFNTKXSHKI-MCIONIFRSA-N 2 1 283.416 0.574 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436865 898223595 /nfs/dbraw/zinc/22/35/95/898223595.db2.gz NQIWRFNTKXSHKI-MCIONIFRSA-N 2 1 283.416 0.574 20 30 CCEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@@H]2C#N)CC1 ZINC001411267921 899769000 /nfs/dbraw/zinc/76/90/00/899769000.db2.gz KGCCZDIMXDOSFY-VXGBXAGGSA-N 2 1 285.351 0.932 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390123 900012276 /nfs/dbraw/zinc/01/22/76/900012276.db2.gz NHHRDIOFEBPRPG-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189390123 900012283 /nfs/dbraw/zinc/01/22/83/900012283.db2.gz NHHRDIOFEBPRPG-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189390123 900012290 /nfs/dbraw/zinc/01/22/90/900012290.db2.gz NHHRDIOFEBPRPG-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP COCC#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001327187666 914407502 /nfs/dbraw/zinc/40/75/02/914407502.db2.gz GHQXBCJVCZTHHT-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CO2 ZINC001327397052 914518148 /nfs/dbraw/zinc/51/81/48/914518148.db2.gz MSMHXAPLTSNLON-ZIAGYGMSSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327089721 902028845 /nfs/dbraw/zinc/02/88/45/902028845.db2.gz MLHDISSFXFNIOG-UHFFFAOYSA-N 2 1 251.374 0.754 20 30 CCEDMP C#CC[NH2+]CC1(NC(=O)C[N@H+](C)C2CCC2)CCOCC1 ZINC001327638402 914670923 /nfs/dbraw/zinc/67/09/23/914670923.db2.gz IKXQGLDWLBOOTN-UHFFFAOYSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001491125803 903387310 /nfs/dbraw/zinc/38/73/10/903387310.db2.gz OVMMETCUNFJWRK-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001316599401 904112045 /nfs/dbraw/zinc/11/20/45/904112045.db2.gz SQCWPMJDBAKTMM-ZIAGYGMSSA-N 2 1 265.401 0.883 20 30 CCEDMP C=CC[NH2+][C@@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001281734149 904340587 /nfs/dbraw/zinc/34/05/87/904340587.db2.gz NJXBSUWJAKWFOK-NSHDSACASA-N 2 1 250.346 0.862 20 30 CCEDMP C=CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283715647 904972640 /nfs/dbraw/zinc/97/26/40/904972640.db2.gz VCGUZIWSSHZKET-KBPBESRZSA-N 2 1 283.416 0.577 20 30 CCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001284417169 905279962 /nfs/dbraw/zinc/27/99/62/905279962.db2.gz MKPUCCIFRJAXIC-GJZGRUSLSA-N 2 1 295.427 0.291 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001491642075 907477226 /nfs/dbraw/zinc/47/72/26/907477226.db2.gz XUQMKNCJIDZGAT-STQMWFEESA-N 2 1 253.390 0.999 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001491764086 907555191 /nfs/dbraw/zinc/55/51/91/907555191.db2.gz GVMRTBOCWMOALS-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001317244754 907996891 /nfs/dbraw/zinc/99/68/91/907996891.db2.gz MEMLTULSDPODNF-CHWSQXEVSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001316802889 908779597 /nfs/dbraw/zinc/77/95/97/908779597.db2.gz HAPFKNHJXJCKMO-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001316996274 908904610 /nfs/dbraw/zinc/90/46/10/908904610.db2.gz WRUGMLCLJBDCLQ-AWEZNQCLSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001317243963 909084091 /nfs/dbraw/zinc/08/40/91/909084091.db2.gz DHQOSSAFTWKKDX-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317302780 909121919 /nfs/dbraw/zinc/12/19/19/909121919.db2.gz AVTRQNSESQOZIN-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[NH2+][C@@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317405937 909178597 /nfs/dbraw/zinc/17/85/97/909178597.db2.gz NHWJBETWFBIZRY-OLZOCXBDSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CCC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317654895 909449060 /nfs/dbraw/zinc/44/90/60/909449060.db2.gz LJTYDSWCUWNDMI-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001317861878 909527305 /nfs/dbraw/zinc/52/73/05/909527305.db2.gz FHHBSFDGUNLXNR-LSDHHAIUSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001317861878 909527323 /nfs/dbraw/zinc/52/73/23/909527323.db2.gz FHHBSFDGUNLXNR-LSDHHAIUSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001317861878 909527336 /nfs/dbraw/zinc/52/73/36/909527336.db2.gz FHHBSFDGUNLXNR-LSDHHAIUSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001317861878 909527349 /nfs/dbraw/zinc/52/73/49/909527349.db2.gz FHHBSFDGUNLXNR-LSDHHAIUSA-N 2 1 295.427 0.673 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001318429508 909752785 /nfs/dbraw/zinc/75/27/85/909752785.db2.gz RWYQMQXAKVLTOJ-KGLIPLIRSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001318607991 909837301 /nfs/dbraw/zinc/83/73/01/909837301.db2.gz SMXZPXGUKMJWTP-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC ZINC001319196130 910030668 /nfs/dbraw/zinc/03/06/68/910030668.db2.gz LEIRVCUOHKSJLK-OLZOCXBDSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC ZINC001319196130 910030677 /nfs/dbraw/zinc/03/06/77/910030677.db2.gz LEIRVCUOHKSJLK-OLZOCXBDSA-N 2 1 251.374 0.446 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)CC[N@H+](C)CC ZINC001319259932 910060364 /nfs/dbraw/zinc/06/03/64/910060364.db2.gz BTZAEDLLJJEDEI-CYBMUJFWSA-N 2 1 253.390 0.693 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001319286696 910070879 /nfs/dbraw/zinc/07/08/79/910070879.db2.gz XZIPNUDGEOKMQI-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001319438571 910145624 /nfs/dbraw/zinc/14/56/24/910145624.db2.gz DVGRPPGEXGVSTD-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001319438571 910145634 /nfs/dbraw/zinc/14/56/34/910145634.db2.gz DVGRPPGEXGVSTD-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001321010707 911012245 /nfs/dbraw/zinc/01/22/45/911012245.db2.gz AYEPUAFJRQLFRB-GFUIURDCSA-N 2 1 267.373 0.155 20 30 CCEDMP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001321010707 911012258 /nfs/dbraw/zinc/01/22/58/911012258.db2.gz AYEPUAFJRQLFRB-GFUIURDCSA-N 2 1 267.373 0.155 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=C)C ZINC001321543327 911363034 /nfs/dbraw/zinc/36/30/34/911363034.db2.gz LLXJPCCDZLZMRF-KGLIPLIRSA-N 2 1 263.385 0.754 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=C)C ZINC001321543327 911363050 /nfs/dbraw/zinc/36/30/50/911363050.db2.gz LLXJPCCDZLZMRF-KGLIPLIRSA-N 2 1 263.385 0.754 20 30 CCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001329592219 916042381 /nfs/dbraw/zinc/04/23/81/916042381.db2.gz MCKGQMWKXXJHEM-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001329592219 916042396 /nfs/dbraw/zinc/04/23/96/916042396.db2.gz MCKGQMWKXXJHEM-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001329592219 916042410 /nfs/dbraw/zinc/04/24/10/916042410.db2.gz MCKGQMWKXXJHEM-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001330037862 916373415 /nfs/dbraw/zinc/37/34/15/916373415.db2.gz GJWCWJOULROLBX-LBPRGKRZSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001330367614 916584436 /nfs/dbraw/zinc/58/44/36/916584436.db2.gz YQMVLXIQJQVQQB-PHZGNYQRSA-N 2 1 289.423 0.790 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001331944478 917741312 /nfs/dbraw/zinc/74/13/12/917741312.db2.gz QNXTZEJOIPLVRR-OLZOCXBDSA-N 2 1 251.374 0.539 20 30 CCEDMP C=CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CCOC ZINC001332923870 918536651 /nfs/dbraw/zinc/53/66/51/918536651.db2.gz YMJHTOOUYWGDRS-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CCOC ZINC001332923870 918536666 /nfs/dbraw/zinc/53/66/66/918536666.db2.gz YMJHTOOUYWGDRS-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)CCOC ZINC001332923870 918536680 /nfs/dbraw/zinc/53/66/80/918536680.db2.gz YMJHTOOUYWGDRS-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCOCC[N@H+](C)[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC001341258980 922401027 /nfs/dbraw/zinc/40/10/27/922401027.db2.gz XPGLNYBEFHDMMH-AWEZNQCLSA-N 2 1 281.400 0.121 20 30 CCEDMP C#CCOCCN(C)[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC001341258980 922401035 /nfs/dbraw/zinc/40/10/35/922401035.db2.gz XPGLNYBEFHDMMH-AWEZNQCLSA-N 2 1 281.400 0.121 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC001357957282 926613721 /nfs/dbraw/zinc/61/37/21/926613721.db2.gz GTPMLJIKAPNTKS-UHFFFAOYSA-N 2 1 259.309 0.094 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000294004722 353859299 /nfs/dbraw/zinc/85/92/99/353859299.db2.gz PDJWTOMOQXWSJM-CQSZACIVSA-N 2 1 288.395 0.825 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000294004722 353859303 /nfs/dbraw/zinc/85/93/03/353859303.db2.gz PDJWTOMOQXWSJM-CQSZACIVSA-N 2 1 288.395 0.825 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404293377 357820265 /nfs/dbraw/zinc/82/02/65/357820265.db2.gz WBSZVYBNHKOZKH-RYUDHWBXSA-N 2 1 282.388 0.448 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404293377 357820267 /nfs/dbraw/zinc/82/02/67/357820267.db2.gz WBSZVYBNHKOZKH-RYUDHWBXSA-N 2 1 282.388 0.448 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000594441076 360310012 /nfs/dbraw/zinc/31/00/12/360310012.db2.gz MJWGEAYXASWUJS-JSGCOSHPSA-N 2 1 278.400 0.998 20 30 CCEDMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594440577 360310055 /nfs/dbraw/zinc/31/00/55/360310055.db2.gz FUGBOTPKDJFLAC-STQMWFEESA-N 2 1 266.389 0.856 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000293956879 388990475 /nfs/dbraw/zinc/99/04/75/388990475.db2.gz KQALLAOTJRCIPA-UHFFFAOYSA-N 2 1 274.368 0.833 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503836 389152790 /nfs/dbraw/zinc/15/27/90/389152790.db2.gz GYBJFDZWVLUBMO-GFCCVEGCSA-N 2 1 251.374 0.753 20 30 CCEDMP CC[NH+]1CCC([N@H+](C)CCC(=O)NC(=O)NC)CC1 ZINC000330663181 389250657 /nfs/dbraw/zinc/25/06/57/389250657.db2.gz VBOXOGHRCYMVFO-UHFFFAOYSA-N 2 1 270.377 0.453 20 30 CCEDMP CC[NH+]1CCC([N@@H+](C)CCC(=O)NC(=O)NC)CC1 ZINC000330663181 389250659 /nfs/dbraw/zinc/25/06/59/389250659.db2.gz VBOXOGHRCYMVFO-UHFFFAOYSA-N 2 1 270.377 0.453 20 30 CCEDMP C=CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000342741911 389252046 /nfs/dbraw/zinc/25/20/46/389252046.db2.gz ZHACOKPIAYQBAF-OAHLLOKOSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000342741911 389252047 /nfs/dbraw/zinc/25/20/47/389252047.db2.gz ZHACOKPIAYQBAF-OAHLLOKOSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000342741911 389252051 /nfs/dbraw/zinc/25/20/51/389252051.db2.gz ZHACOKPIAYQBAF-OAHLLOKOSA-N 2 1 297.443 0.967 20 30 CCEDMP CNC(NCCCN1CCN(c2cc[nH+]cc2)CC1)=[NH+]C ZINC000264065709 389303959 /nfs/dbraw/zinc/30/39/59/389303959.db2.gz BDGCFGDCHJVLFG-UHFFFAOYSA-N 2 1 290.415 0.389 20 30 CCEDMP CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000264068190 389304776 /nfs/dbraw/zinc/30/47/76/389304776.db2.gz CACKXAUFCKLGSM-LBPRGKRZSA-N 2 1 276.384 0.941 20 30 CCEDMP CNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000264068190 389304779 /nfs/dbraw/zinc/30/47/79/389304779.db2.gz CACKXAUFCKLGSM-LBPRGKRZSA-N 2 1 276.384 0.941 20 30 CCEDMP Cc1ncc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)s1 ZINC000264074672 389304875 /nfs/dbraw/zinc/30/48/75/389304875.db2.gz FHWYMQBSYPKCFI-UHFFFAOYSA-N 2 1 297.428 0.578 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1ccnc1C ZINC000264083178 389305618 /nfs/dbraw/zinc/30/56/18/389305618.db2.gz IDXKEWNGTOJXIV-CYBMUJFWSA-N 2 1 278.404 0.580 20 30 CCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1cc[nH+]c1C ZINC000264083178 389305621 /nfs/dbraw/zinc/30/56/21/389305621.db2.gz IDXKEWNGTOJXIV-CYBMUJFWSA-N 3 1 278.404 0.580 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1cc[nH+]c1C ZINC000264083178 389305623 /nfs/dbraw/zinc/30/56/23/389305623.db2.gz IDXKEWNGTOJXIV-CYBMUJFWSA-N 3 1 278.404 0.580 20 30 CCEDMP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000267425624 389371408 /nfs/dbraw/zinc/37/14/08/389371408.db2.gz LMVZOVNODXATJX-ZDUSSCGKSA-N 2 1 291.399 0.668 20 30 CCEDMP C[C@@H](O)CC[NH+](C)CC#CC[N@H+](C)CC[C@@H](C)O ZINC000351440008 389583087 /nfs/dbraw/zinc/58/30/87/389583087.db2.gz ZZQUTJRRFPOEHI-ZIAGYGMSSA-N 2 1 256.390 0.395 20 30 CCEDMP N#C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000442796272 389863330 /nfs/dbraw/zinc/86/33/30/389863330.db2.gz VTCAPWJNZUUELF-RDBSUJKOSA-N 2 1 278.400 0.856 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@H+](CC)CCOCC)CC1 ZINC000490779829 390107950 /nfs/dbraw/zinc/10/79/50/390107950.db2.gz AAQGAIQHZQUTPM-UHFFFAOYSA-N 2 1 281.400 0.122 20 30 CCEDMP C#CCN1CCN(C(=O)CN(CC)CCOCC)CC1 ZINC000490779829 390107951 /nfs/dbraw/zinc/10/79/51/390107951.db2.gz AAQGAIQHZQUTPM-UHFFFAOYSA-N 2 1 281.400 0.122 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000491385856 390112815 /nfs/dbraw/zinc/11/28/15/390112815.db2.gz SNHFKGHYDHUNRG-ZIAGYGMSSA-N 2 1 280.416 0.853 20 30 CCEDMP C=CCOCCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000645095064 390369863 /nfs/dbraw/zinc/36/98/63/390369863.db2.gz VOKNCPCXBWEWMH-HNNXBMFYSA-N 2 1 267.417 0.901 20 30 CCEDMP C=CCOCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000645095064 390369867 /nfs/dbraw/zinc/36/98/67/390369867.db2.gz VOKNCPCXBWEWMH-HNNXBMFYSA-N 2 1 267.417 0.901 20 30 CCEDMP C[C@@H](CNC[C@H](O)CN(C)CCC#N)[N@H+](C)C1CC1 ZINC000567378317 390695966 /nfs/dbraw/zinc/69/59/66/390695966.db2.gz YCUDTVUGWAGABH-JSGCOSHPSA-N 2 1 268.405 0.265 20 30 CCEDMP C[C@@H](CNC[C@H](O)CN(C)CCC#N)[N@@H+](C)C1CC1 ZINC000567378317 390695968 /nfs/dbraw/zinc/69/59/68/390695968.db2.gz YCUDTVUGWAGABH-JSGCOSHPSA-N 2 1 268.405 0.265 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345415 412034044 /nfs/dbraw/zinc/03/40/44/412034044.db2.gz BHYAFSVFLPRRHF-BFHYXJOUSA-N 2 1 281.400 0.507 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)CC(F)(F)C[NH3+])CC1 ZINC000653117454 412227631 /nfs/dbraw/zinc/22/76/31/412227631.db2.gz MFWJFPDLTIUCFH-UHFFFAOYSA-N 2 1 261.316 0.737 20 30 CCEDMP C=CC[C@]1(C(=O)NCc2c[nH+]c(N(C)C)n2C)CCC[NH2+]1 ZINC000662728676 414747002 /nfs/dbraw/zinc/74/70/02/414747002.db2.gz ARAFOBCBDWYDPV-OAHLLOKOSA-N 2 1 291.399 0.801 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000078545594 177352453 /nfs/dbraw/zinc/35/24/53/177352453.db2.gz OCHDVUFFTZKSKK-UHFFFAOYSA-N 2 1 280.416 0.984 20 30 CCEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCC#N)CC[C@H]21 ZINC000332715380 260020765 /nfs/dbraw/zinc/02/07/65/260020765.db2.gz QAIAWWOHPOQVPT-MGPQQGTHSA-N 2 1 278.400 0.950 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NC[C@@H]1CCCO1 ZINC000262535743 262776649 /nfs/dbraw/zinc/77/66/49/262776649.db2.gz JTILSJDVQROJPG-LBPRGKRZSA-N 2 1 265.361 0.536 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cnn(C)c1 ZINC000264076306 262865129 /nfs/dbraw/zinc/86/51/29/262865129.db2.gz FSQVNHHZPJDYHY-ZDUSSCGKSA-N 2 1 278.404 0.351 20 30 CCEDMP COC[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](COC)C2)C1 ZINC000341890570 263363677 /nfs/dbraw/zinc/36/36/77/263363677.db2.gz ALSZREPJQQMIQO-HOTGVXAUSA-N 2 1 280.412 0.926 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131692326 264375979 /nfs/dbraw/zinc/37/59/79/264375979.db2.gz VALOHVZGGOGFHD-QWHCGFSZSA-N 2 1 251.374 0.856 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131692326 264375981 /nfs/dbraw/zinc/37/59/81/264375981.db2.gz VALOHVZGGOGFHD-QWHCGFSZSA-N 2 1 251.374 0.856 20 30 CCEDMP CN(C)C(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000178585852 329200728 /nfs/dbraw/zinc/20/07/28/329200728.db2.gz SONUOAGVYVBSLV-UHFFFAOYSA-N 2 1 281.448 0.813 20 30 CCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000262267253 330003331 /nfs/dbraw/zinc/00/33/31/330003331.db2.gz HPVHNXHAZGUFMA-LLVKDONJSA-N 2 1 297.353 0.937 20 30 CCEDMP C[C@@H]1CN(C(=[NH2+])NC[C@]2([NH+](C)C)CCSC2)CCO1 ZINC000262439326 330013034 /nfs/dbraw/zinc/01/30/34/330013034.db2.gz HGQBRBPFOHQYOP-DGCLKSJQSA-N 2 1 286.445 0.459 20 30 CCEDMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424129638 330260143 /nfs/dbraw/zinc/26/01/43/330260143.db2.gz GJJPAGMKYKCLHH-OLZOCXBDSA-N 2 1 266.389 0.856 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000490595019 332094313 /nfs/dbraw/zinc/09/43/13/332094313.db2.gz YKCPUAKTNFGIDY-CQSZACIVSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000491525559 332230362 /nfs/dbraw/zinc/23/03/62/332230362.db2.gz SUVUIKMGVOEEJR-ZDUSSCGKSA-N 2 1 268.405 0.758 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000491652801 332265534 /nfs/dbraw/zinc/26/55/34/332265534.db2.gz AZVPMXOGQRPZEO-QWHCGFSZSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000491652799 332265570 /nfs/dbraw/zinc/26/55/70/332265570.db2.gz AZVPMXOGQRPZEO-OLZOCXBDSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000491753604 332329084 /nfs/dbraw/zinc/32/90/84/332329084.db2.gz ZTAVBOFFZZAVHV-UHFFFAOYSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000491753604 332329085 /nfs/dbraw/zinc/32/90/85/332329085.db2.gz ZTAVBOFFZZAVHV-UHFFFAOYSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000491753604 332329086 /nfs/dbraw/zinc/32/90/86/332329086.db2.gz ZTAVBOFFZZAVHV-UHFFFAOYSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000491820140 332370014 /nfs/dbraw/zinc/37/00/14/332370014.db2.gz QAWHGFNJAGOUMW-ZDUSSCGKSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000491820140 332370015 /nfs/dbraw/zinc/37/00/15/332370015.db2.gz QAWHGFNJAGOUMW-ZDUSSCGKSA-N 2 1 280.416 0.723 20 30 CCEDMP C[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000577517383 335363744 /nfs/dbraw/zinc/36/37/44/335363744.db2.gz RGIZQDGPRHVBPC-WCVJEAGWSA-N 2 1 280.412 0.110 20 30 CCEDMP C[C@H](CNC(=[NH2+])N(C)C1CC1)C[NH+]1CCOCC1 ZINC000305796307 649874883 /nfs/dbraw/zinc/87/48/83/649874883.db2.gz APLWBLDQQROTST-LLVKDONJSA-N 2 1 254.378 0.364 20 30 CCEDMP COC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC1 ZINC000305887657 649887143 /nfs/dbraw/zinc/88/71/43/649887143.db2.gz ZBIVDBRTMZBMEL-UHFFFAOYSA-N 2 1 284.404 0.182 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000730283018 581691602 /nfs/dbraw/zinc/69/16/02/581691602.db2.gz NCEPYRCEWGFSRA-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000730283018 581691604 /nfs/dbraw/zinc/69/16/04/581691604.db2.gz NCEPYRCEWGFSRA-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC)C1 ZINC000730283018 581691607 /nfs/dbraw/zinc/69/16/07/581691607.db2.gz NCEPYRCEWGFSRA-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC)C1 ZINC000730283018 581691610 /nfs/dbraw/zinc/69/16/10/581691610.db2.gz NCEPYRCEWGFSRA-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000746675552 581922310 /nfs/dbraw/zinc/92/23/10/581922310.db2.gz MUMTUVREMAOCPP-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000746675552 581922312 /nfs/dbraw/zinc/92/23/12/581922312.db2.gz MUMTUVREMAOCPP-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C ZINC000775817095 582041140 /nfs/dbraw/zinc/04/11/40/582041140.db2.gz JJWDYDMYIUQPAR-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C ZINC000775817095 582041143 /nfs/dbraw/zinc/04/11/43/582041143.db2.gz JJWDYDMYIUQPAR-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP CNC(NC[C@H](c1cccs1)N1CC[NH+](C)CC1)=[NH+]C ZINC000750542053 582050510 /nfs/dbraw/zinc/05/05/10/582050510.db2.gz TXFGKVGKNCPOAJ-GFCCVEGCSA-N 2 1 295.456 0.831 20 30 CCEDMP C[C@@H]1C[N@H+](C)CC1=NNC(=S)NCCC[NH+](C)C ZINC000752165995 582102074 /nfs/dbraw/zinc/10/20/74/582102074.db2.gz OWFIOZIONIHYBU-SNVBAGLBSA-N 2 1 271.434 0.340 20 30 CCEDMP C[C@@H]1C[N@@H+](C)CC1=NNC(=S)NCCC[NH+](C)C ZINC000752165995 582102076 /nfs/dbraw/zinc/10/20/76/582102076.db2.gz OWFIOZIONIHYBU-SNVBAGLBSA-N 2 1 271.434 0.340 20 30 CCEDMP C#CCOCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000851883762 612984185 /nfs/dbraw/zinc/98/41/85/612984185.db2.gz XMJZXYUAPPYBDH-JKSUJKDBSA-N 2 1 279.428 0.594 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878865393 612949827 /nfs/dbraw/zinc/94/98/27/612949827.db2.gz XVNDMSPKADUMHV-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CC[C@H](C)C1 ZINC000895056438 613075372 /nfs/dbraw/zinc/07/53/72/613075372.db2.gz KWEFLWPVHSLULW-AWEZNQCLSA-N 2 1 280.416 0.583 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000968915038 612963574 /nfs/dbraw/zinc/96/35/74/612963574.db2.gz AOQIMKMPZLPYAR-CHWSQXEVSA-N 2 1 272.352 0.584 20 30 CCEDMP C#CCCN(CCOC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000852749400 612989512 /nfs/dbraw/zinc/98/95/12/612989512.db2.gz WURLOCLYISQLSJ-CQSZACIVSA-N 2 1 254.374 0.413 20 30 CCEDMP C#CCC[N@@H+](CCOC)C[C@H](O)CN(C)C1CC1 ZINC000852749400 612989513 /nfs/dbraw/zinc/98/95/13/612989513.db2.gz WURLOCLYISQLSJ-CQSZACIVSA-N 2 1 254.374 0.413 20 30 CCEDMP C#CCC[N@H+](CCOC)C[C@H](O)CN(C)C1CC1 ZINC000852749400 612989514 /nfs/dbraw/zinc/98/95/14/612989514.db2.gz WURLOCLYISQLSJ-CQSZACIVSA-N 2 1 254.374 0.413 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000951749979 612990680 /nfs/dbraw/zinc/99/06/80/612990680.db2.gz MKVKCLVRBAHZKP-DZGCQCFKSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000951749979 612990681 /nfs/dbraw/zinc/99/06/81/612990681.db2.gz MKVKCLVRBAHZKP-DZGCQCFKSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900797543 612999119 /nfs/dbraw/zinc/99/91/19/612999119.db2.gz GMVXLIRZLBLNSJ-GDBMZVCRSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000972860302 613037679 /nfs/dbraw/zinc/03/76/79/613037679.db2.gz PORVCVRIVVRTCF-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000972860302 613037680 /nfs/dbraw/zinc/03/76/80/613037680.db2.gz PORVCVRIVVRTCF-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972860302 613037681 /nfs/dbraw/zinc/03/76/81/613037681.db2.gz PORVCVRIVVRTCF-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972860302 613037682 /nfs/dbraw/zinc/03/76/82/613037682.db2.gz PORVCVRIVVRTCF-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961169734 613043481 /nfs/dbraw/zinc/04/34/81/613043481.db2.gz GQWNNQJFXUWDRQ-NHAGDIPZSA-N 2 1 272.352 0.261 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961169734 613043482 /nfs/dbraw/zinc/04/34/82/613043482.db2.gz GQWNNQJFXUWDRQ-NHAGDIPZSA-N 2 1 272.352 0.261 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000868582244 613077952 /nfs/dbraw/zinc/07/79/52/613077952.db2.gz XFUXFNAZISPJIF-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000868582244 613077954 /nfs/dbraw/zinc/07/79/54/613077954.db2.gz XFUXFNAZISPJIF-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000868582244 613077955 /nfs/dbraw/zinc/07/79/55/613077955.db2.gz XFUXFNAZISPJIF-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857237329 613079148 /nfs/dbraw/zinc/07/91/48/613079148.db2.gz SQZQMIQIUBUKLI-CYBMUJFWSA-N 2 1 251.374 0.832 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857237329 613079150 /nfs/dbraw/zinc/07/91/50/613079150.db2.gz SQZQMIQIUBUKLI-CYBMUJFWSA-N 2 1 251.374 0.832 20 30 CCEDMP C#C[C@@H](CC)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000854078546 613083874 /nfs/dbraw/zinc/08/38/74/613083874.db2.gz MYOOUHSMTWBDCY-KBPBESRZSA-N 2 1 282.432 0.969 20 30 CCEDMP C#C[C@@H](CC)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000854078546 613083875 /nfs/dbraw/zinc/08/38/75/613083875.db2.gz MYOOUHSMTWBDCY-KBPBESRZSA-N 2 1 282.432 0.969 20 30 CCEDMP C#C[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000847026610 613106044 /nfs/dbraw/zinc/10/60/44/613106044.db2.gz FZUAYFYDHZVLLE-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970743567 613122840 /nfs/dbraw/zinc/12/28/40/613122840.db2.gz BCJAGBXPTODMKM-LBPRGKRZSA-N 2 1 261.369 0.152 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC)CC1 ZINC000882484463 613130622 /nfs/dbraw/zinc/13/06/22/613130622.db2.gz DCTQWQMZDQRUFA-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000119036020 613131527 /nfs/dbraw/zinc/13/15/27/613131527.db2.gz LQQJASNRIKDRNF-UKRRQHHQSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000119036020 613131528 /nfs/dbraw/zinc/13/15/28/613131528.db2.gz LQQJASNRIKDRNF-UKRRQHHQSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000928654553 613132899 /nfs/dbraw/zinc/13/28/99/613132899.db2.gz HFAOMTYLKCBTBG-CQSZACIVSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000969144367 613148808 /nfs/dbraw/zinc/14/88/08/613148808.db2.gz KMVXCOIAJLTIQW-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000969144367 613148811 /nfs/dbraw/zinc/14/88/11/613148811.db2.gz KMVXCOIAJLTIQW-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000969144367 613148812 /nfs/dbraw/zinc/14/88/12/613148812.db2.gz KMVXCOIAJLTIQW-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC)C1 ZINC000968956185 613196634 /nfs/dbraw/zinc/19/66/34/613196634.db2.gz CQKHHCSWXDLNPD-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC)C1 ZINC000968956185 613196635 /nfs/dbraw/zinc/19/66/35/613196635.db2.gz CQKHHCSWXDLNPD-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000816951217 613197736 /nfs/dbraw/zinc/19/77/36/613197736.db2.gz KKGOLGIKTWQXAZ-IHRRRGAJSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000816951217 613197737 /nfs/dbraw/zinc/19/77/37/613197737.db2.gz KKGOLGIKTWQXAZ-IHRRRGAJSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000816951217 613197738 /nfs/dbraw/zinc/19/77/38/613197738.db2.gz KKGOLGIKTWQXAZ-IHRRRGAJSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000816951217 613197739 /nfs/dbraw/zinc/19/77/39/613197739.db2.gz KKGOLGIKTWQXAZ-IHRRRGAJSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621194 613230074 /nfs/dbraw/zinc/23/00/74/613230074.db2.gz PILJFKMVCWNETL-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621194 613230079 /nfs/dbraw/zinc/23/00/79/613230079.db2.gz PILJFKMVCWNETL-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621194 613230081 /nfs/dbraw/zinc/23/00/81/613230081.db2.gz PILJFKMVCWNETL-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948052251 613258327 /nfs/dbraw/zinc/25/83/27/613258327.db2.gz CLNDLNQRRCJENU-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944965656 613261899 /nfs/dbraw/zinc/26/18/99/613261899.db2.gz TWTWOXUCOBKXBO-JSGCOSHPSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944965656 613261901 /nfs/dbraw/zinc/26/19/01/613261901.db2.gz TWTWOXUCOBKXBO-JSGCOSHPSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974998965 613280483 /nfs/dbraw/zinc/28/04/83/613280483.db2.gz XACWGEGGTCBJME-CQSZACIVSA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000971781692 613290293 /nfs/dbraw/zinc/29/02/93/613290293.db2.gz MHYNUQJIXFIZGV-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000971781692 613290295 /nfs/dbraw/zinc/29/02/95/613290295.db2.gz MHYNUQJIXFIZGV-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781692 613290297 /nfs/dbraw/zinc/29/02/97/613290297.db2.gz MHYNUQJIXFIZGV-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781692 613290298 /nfs/dbraw/zinc/29/02/98/613290298.db2.gz MHYNUQJIXFIZGV-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977584797 613299286 /nfs/dbraw/zinc/29/92/86/613299286.db2.gz FVCYQWMJATUFIE-STQMWFEESA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977584797 613299287 /nfs/dbraw/zinc/29/92/87/613299287.db2.gz FVCYQWMJATUFIE-STQMWFEESA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977584797 613299288 /nfs/dbraw/zinc/29/92/88/613299288.db2.gz FVCYQWMJATUFIE-STQMWFEESA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000962181189 613313650 /nfs/dbraw/zinc/31/36/50/613313650.db2.gz LIPXASHKRLQNDW-ZSHCYNCHSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852106575 613325043 /nfs/dbraw/zinc/32/50/43/613325043.db2.gz BNYHHJDCYGTLBM-OAHLLOKOSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852106575 613325045 /nfs/dbraw/zinc/32/50/45/613325045.db2.gz BNYHHJDCYGTLBM-OAHLLOKOSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852106575 613325047 /nfs/dbraw/zinc/32/50/47/613325047.db2.gz BNYHHJDCYGTLBM-OAHLLOKOSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852762590 613325351 /nfs/dbraw/zinc/32/53/51/613325351.db2.gz PNHJMPIWRAGRQY-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC000939316874 613349948 /nfs/dbraw/zinc/34/99/48/613349948.db2.gz TXNXBUTXPMNJSY-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000901229483 613363571 /nfs/dbraw/zinc/36/35/71/613363571.db2.gz SSMVCBVEKAJNKX-UHFFFAOYSA-N 2 1 297.443 0.800 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000910413474 613363861 /nfs/dbraw/zinc/36/38/61/613363861.db2.gz LCMRWADWGZBHLH-ZDUSSCGKSA-N 2 1 297.399 0.058 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000901085940 613364019 /nfs/dbraw/zinc/36/40/19/613364019.db2.gz YRFNPORFXAXEGO-UHFFFAOYSA-N 2 1 291.399 0.577 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000813855237 613366386 /nfs/dbraw/zinc/36/63/86/613366386.db2.gz MXVMVGGDLUOENB-UHFFFAOYSA-N 2 1 270.421 0.104 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCCCN(C)CC[NH+](C)C ZINC000813855237 613366387 /nfs/dbraw/zinc/36/63/87/613366387.db2.gz MXVMVGGDLUOENB-UHFFFAOYSA-N 2 1 270.421 0.104 20 30 CCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970903517 613485629 /nfs/dbraw/zinc/48/56/29/613485629.db2.gz GWZWBEJJCRUOKX-ZFWWWQNUSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970903517 613485631 /nfs/dbraw/zinc/48/56/31/613485631.db2.gz GWZWBEJJCRUOKX-ZFWWWQNUSA-N 2 1 295.427 0.720 20 30 CCEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000969413379 613536949 /nfs/dbraw/zinc/53/69/49/613536949.db2.gz XZVZQSGEILVXAZ-GXTWGEPZSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000962303468 613562788 /nfs/dbraw/zinc/56/27/88/613562788.db2.gz FHDBQUQENKFFOL-NYTXWWLZSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000962303468 613562789 /nfs/dbraw/zinc/56/27/89/613562789.db2.gz FHDBQUQENKFFOL-NYTXWWLZSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000962303468 613562790 /nfs/dbraw/zinc/56/27/90/613562790.db2.gz FHDBQUQENKFFOL-NYTXWWLZSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971205352 613631066 /nfs/dbraw/zinc/63/10/66/613631066.db2.gz USZXBVHZHQEWIR-STQMWFEESA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000971205352 613631069 /nfs/dbraw/zinc/63/10/69/613631069.db2.gz USZXBVHZHQEWIR-STQMWFEESA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000971205352 613631072 /nfs/dbraw/zinc/63/10/72/613631072.db2.gz USZXBVHZHQEWIR-STQMWFEESA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000903432673 613651390 /nfs/dbraw/zinc/65/13/90/613651390.db2.gz JYEGMPRYTOUYGE-XQQFMLRXSA-N 2 1 272.414 0.789 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900598515 613675901 /nfs/dbraw/zinc/67/59/01/613675901.db2.gz HOZHNUQGLBOMCA-UKRRQHHQSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C1=O ZINC000931439757 613778949 /nfs/dbraw/zinc/77/89/49/613778949.db2.gz ZHDWHKILJJIVOZ-RDBSUJKOSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1=O ZINC000931439757 613778950 /nfs/dbraw/zinc/77/89/50/613778950.db2.gz ZHDWHKILJJIVOZ-RDBSUJKOSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1=O ZINC000931439757 613778952 /nfs/dbraw/zinc/77/89/52/613778952.db2.gz ZHDWHKILJJIVOZ-RDBSUJKOSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974761061 613828291 /nfs/dbraw/zinc/82/82/91/613828291.db2.gz YLKMOWBTBSFLDY-MCIONIFRSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974761061 613828292 /nfs/dbraw/zinc/82/82/92/613828292.db2.gz YLKMOWBTBSFLDY-MCIONIFRSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974761061 613828293 /nfs/dbraw/zinc/82/82/93/613828293.db2.gz YLKMOWBTBSFLDY-MCIONIFRSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974761061 613828295 /nfs/dbraw/zinc/82/82/95/613828295.db2.gz YLKMOWBTBSFLDY-MCIONIFRSA-N 2 1 295.427 0.718 20 30 CCEDMP CCNC(NCCC[N@H+](C)CCN(C)C)=[NH+]CC ZINC000849028355 614421015 /nfs/dbraw/zinc/42/10/15/614421015.db2.gz RYAQSIFDLASLIQ-UHFFFAOYSA-N 2 1 257.426 0.445 20 30 CCEDMP CCNC(NCCC[N@@H+](C)CCN(C)C)=[NH+]CC ZINC000849028355 614421016 /nfs/dbraw/zinc/42/10/16/614421016.db2.gz RYAQSIFDLASLIQ-UHFFFAOYSA-N 2 1 257.426 0.445 20 30 CCEDMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](O)CC#N)CC2)CC1 ZINC000930752001 615099812 /nfs/dbraw/zinc/09/98/12/615099812.db2.gz QRQSEHZNLBUWMT-MRXNPFEDSA-N 2 1 294.443 0.753 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001026099973 625333268 /nfs/dbraw/zinc/33/32/68/625333268.db2.gz PILIRHDZTHEJMC-ARKGTOAJSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026099973 625333269 /nfs/dbraw/zinc/33/32/69/625333269.db2.gz PILIRHDZTHEJMC-ARKGTOAJSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026099973 625333270 /nfs/dbraw/zinc/33/32/70/625333270.db2.gz PILIRHDZTHEJMC-ARKGTOAJSA-N 2 1 287.407 0.683 20 30 CCEDMP C=CC[C@@H]1CC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000934459316 622709182 /nfs/dbraw/zinc/70/91/82/622709182.db2.gz ICJOHXRQHOMLRJ-CYBMUJFWSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023115769 622914505 /nfs/dbraw/zinc/91/45/05/622914505.db2.gz WABWPEPHEIOKBP-XQQFMLRXSA-N 2 1 267.373 0.130 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023115769 622914514 /nfs/dbraw/zinc/91/45/14/622914514.db2.gz WABWPEPHEIOKBP-XQQFMLRXSA-N 2 1 267.373 0.130 20 30 CCEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001024797488 623446213 /nfs/dbraw/zinc/44/62/13/623446213.db2.gz OLBHKUWSARPBHE-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024797488 623446217 /nfs/dbraw/zinc/44/62/17/623446217.db2.gz OLBHKUWSARPBHE-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024797488 623446223 /nfs/dbraw/zinc/44/62/23/623446223.db2.gz OLBHKUWSARPBHE-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001020585194 624542789 /nfs/dbraw/zinc/54/27/89/624542789.db2.gz LLYWOVHPYDYPPE-AVGNSLFASA-N 2 1 251.374 0.894 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020591148 624545275 /nfs/dbraw/zinc/54/52/75/624545275.db2.gz GAIAJCWICXAIQP-FDYHWXHSSA-N 2 1 251.374 0.607 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022121218 624876107 /nfs/dbraw/zinc/87/61/07/624876107.db2.gz AMVCMXUCLYYNIJ-CRWXNKLISA-N 2 1 279.384 0.272 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027350077 625846743 /nfs/dbraw/zinc/84/67/43/625846743.db2.gz HGPVLXMPIRVZCG-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027350077 625846749 /nfs/dbraw/zinc/84/67/49/625846749.db2.gz HGPVLXMPIRVZCG-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001027350077 625846751 /nfs/dbraw/zinc/84/67/51/625846751.db2.gz HGPVLXMPIRVZCG-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001027350077 625846756 /nfs/dbraw/zinc/84/67/56/625846756.db2.gz HGPVLXMPIRVZCG-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001007006953 650062143 /nfs/dbraw/zinc/06/21/43/650062143.db2.gz CRLQKHGSEVFYSY-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001007006953 650062145 /nfs/dbraw/zinc/06/21/45/650062145.db2.gz CRLQKHGSEVFYSY-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007006953 650062148 /nfs/dbraw/zinc/06/21/48/650062148.db2.gz CRLQKHGSEVFYSY-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007006953 650062149 /nfs/dbraw/zinc/06/21/49/650062149.db2.gz CRLQKHGSEVFYSY-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP CC[C@H](C)NC(=O)CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303892400 632493272 /nfs/dbraw/zinc/49/32/72/632493272.db2.gz REBOARGNQJKSRQ-QWHCGFSZSA-N 2 1 297.447 0.680 20 30 CCEDMP CCCNC(=[NH2+])NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303990918 632503825 /nfs/dbraw/zinc/50/38/25/632503825.db2.gz ZAXXKBUPWOTCJZ-GFCCVEGCSA-N 2 1 283.420 0.243 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC000989185337 633165886 /nfs/dbraw/zinc/16/58/86/633165886.db2.gz DODKUDLSOUMGER-YPMHNXCESA-N 2 1 260.341 0.404 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC000989185330 633165965 /nfs/dbraw/zinc/16/59/65/633165965.db2.gz DODKUDLSOUMGER-WCQYABFASA-N 2 1 260.341 0.404 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995981200 638806521 /nfs/dbraw/zinc/80/65/21/638806521.db2.gz NHERHBAHPHBPBF-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996619362 638824928 /nfs/dbraw/zinc/82/49/28/638824928.db2.gz ZTYGMMRWILDDLX-QWHCGFSZSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998557153 638927514 /nfs/dbraw/zinc/92/75/14/638927514.db2.gz QLJKXDWDONIIFS-BPCQOVAHSA-N 2 1 251.374 0.846 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001000920354 639195243 /nfs/dbraw/zinc/19/52/43/639195243.db2.gz UKBWQIGNZGLBOW-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003627048 639580019 /nfs/dbraw/zinc/58/00/19/639580019.db2.gz BPWYEUFXEYMHPM-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479688 640158414 /nfs/dbraw/zinc/15/84/14/640158414.db2.gz RTCHUJUMQIJJAL-UKRRQHHQSA-N 2 1 289.379 0.969 20 30 CCEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479689 640159082 /nfs/dbraw/zinc/15/90/82/640159082.db2.gz RTCHUJUMQIJJAL-ZFWWWQNUSA-N 2 1 289.379 0.969 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015599684 650588518 /nfs/dbraw/zinc/58/85/18/650588518.db2.gz UHULZEBTRWUANH-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015599684 650588520 /nfs/dbraw/zinc/58/85/20/650588520.db2.gz UHULZEBTRWUANH-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015599684 650588522 /nfs/dbraw/zinc/58/85/22/650588522.db2.gz UHULZEBTRWUANH-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015599684 650588524 /nfs/dbraw/zinc/58/85/24/650588524.db2.gz UHULZEBTRWUANH-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C[C@H](C#N)OCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000801940590 640678058 /nfs/dbraw/zinc/67/80/58/640678058.db2.gz PHFWMVAMXDLDPW-CQSZACIVSA-N 2 1 297.399 0.074 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015700835 650611699 /nfs/dbraw/zinc/61/16/99/650611699.db2.gz BQAGTQPSNWRXQY-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015700835 650611700 /nfs/dbraw/zinc/61/17/00/650611700.db2.gz BQAGTQPSNWRXQY-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015700835 650611705 /nfs/dbraw/zinc/61/17/05/650611705.db2.gz BQAGTQPSNWRXQY-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001015705445 650611987 /nfs/dbraw/zinc/61/19/87/650611987.db2.gz LJVWFDRTGLADSJ-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015705445 650611989 /nfs/dbraw/zinc/61/19/89/650611989.db2.gz LJVWFDRTGLADSJ-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015705445 650611992 /nfs/dbraw/zinc/61/19/92/650611992.db2.gz LJVWFDRTGLADSJ-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015797231 650631204 /nfs/dbraw/zinc/63/12/04/650631204.db2.gz ZZEXXYFAOOXLSR-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930731 650658940 /nfs/dbraw/zinc/65/89/40/650658940.db2.gz UQEFBIQNBSHPOG-HNNXBMFYSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930731 650658942 /nfs/dbraw/zinc/65/89/42/650658942.db2.gz UQEFBIQNBSHPOG-HNNXBMFYSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970751 650666622 /nfs/dbraw/zinc/66/66/22/650666622.db2.gz RUXTZLVKFFPCKW-INIZCTEOSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970751 650666623 /nfs/dbraw/zinc/66/66/23/650666623.db2.gz RUXTZLVKFFPCKW-INIZCTEOSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015994585 650671325 /nfs/dbraw/zinc/67/13/25/650671325.db2.gz JPTOPIYUMAHBMJ-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015994585 650671330 /nfs/dbraw/zinc/67/13/30/650671330.db2.gz JPTOPIYUMAHBMJ-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015994585 650671333 /nfs/dbraw/zinc/67/13/33/650671333.db2.gz JPTOPIYUMAHBMJ-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C[C@@H](O)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000823300338 641753586 /nfs/dbraw/zinc/75/35/86/641753586.db2.gz OJTRDOMFWJTSJS-CYBMUJFWSA-N 2 1 276.340 0.319 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000852859701 644027466 /nfs/dbraw/zinc/02/74/66/644027466.db2.gz XXNXNRGWPAHNOQ-HUUCEWRRSA-N 2 1 275.396 0.732 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001019452188 650974801 /nfs/dbraw/zinc/97/48/01/650974801.db2.gz BDAKCQLMAFSYTL-ZDUSSCGKSA-N 2 1 274.368 0.830 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091846476 649714758 /nfs/dbraw/zinc/71/47/58/649714758.db2.gz IQKNRKNXOIEQLK-UHFFFAOYSA-N 2 1 268.361 0.200 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000303865697 649825914 /nfs/dbraw/zinc/82/59/14/649825914.db2.gz BTJHZUYUHPRXJK-CQSZACIVSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)[NH+](C)C1CC1 ZINC000303979485 649827588 /nfs/dbraw/zinc/82/75/88/649827588.db2.gz NGSIDLFFJVKVTF-OCCSQVGLSA-N 3 1 281.448 0.858 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000303979485 649827589 /nfs/dbraw/zinc/82/75/89/649827589.db2.gz NGSIDLFFJVKVTF-OCCSQVGLSA-N 3 1 281.448 0.858 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000303979485 649827590 /nfs/dbraw/zinc/82/75/90/649827590.db2.gz NGSIDLFFJVKVTF-OCCSQVGLSA-N 3 1 281.448 0.858 20 30 CCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)N(C)C1CC1 ZINC000303979485 649827592 /nfs/dbraw/zinc/82/75/92/649827592.db2.gz NGSIDLFFJVKVTF-OCCSQVGLSA-N 2 1 281.448 0.858 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)N(C)C1CC1 ZINC000303979485 649827593 /nfs/dbraw/zinc/82/75/93/649827593.db2.gz NGSIDLFFJVKVTF-OCCSQVGLSA-N 2 1 281.448 0.858 20 30 CCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266703952 791157574 /nfs/dbraw/zinc/15/75/74/791157574.db2.gz SSPVFDIGAZXHFT-HZSPNIEDSA-N 2 1 281.400 0.520 20 30 CCEDMP CNC(=O)C(C)(C)CNC(N[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000261929760 791233456 /nfs/dbraw/zinc/23/34/56/791233456.db2.gz JMSFRMKBWBBRTI-NSHDSACASA-N 2 1 295.431 0.160 20 30 CCEDMP CNC(=O)C(C)(C)CNC(N[C@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000261929760 791233468 /nfs/dbraw/zinc/23/34/68/791233468.db2.gz JMSFRMKBWBBRTI-NSHDSACASA-N 2 1 295.431 0.160 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267022208 791455756 /nfs/dbraw/zinc/45/57/56/791455756.db2.gz DDEOSCZHTOTHMQ-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CC[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267213282 791681821 /nfs/dbraw/zinc/68/18/21/791681821.db2.gz GNOSHPQLZPFIMN-CYBMUJFWSA-N 2 1 276.384 0.988 20 30 CCEDMP C=CC[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267213282 791681824 /nfs/dbraw/zinc/68/18/24/791681824.db2.gz GNOSHPQLZPFIMN-CYBMUJFWSA-N 2 1 276.384 0.988 20 30 CCEDMP N#Cc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1 ZINC001234979363 806322443 /nfs/dbraw/zinc/32/24/43/806322443.db2.gz CPTGOKFCXLEEOT-OAHLLOKOSA-N 2 1 256.353 0.696 20 30 CCEDMP C#CCC[NH2+][C@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001278154676 806725555 /nfs/dbraw/zinc/72/55/55/806725555.db2.gz HIFPXGWAAXSFLS-ZDUSSCGKSA-N 2 1 283.416 0.054 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149894650 800305675 /nfs/dbraw/zinc/30/56/75/800305675.db2.gz BJUZJJFBIAWSBC-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149894650 800305679 /nfs/dbraw/zinc/30/56/79/800305679.db2.gz BJUZJJFBIAWSBC-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152457331 800522515 /nfs/dbraw/zinc/52/25/15/800522515.db2.gz BYZQBYLTCDQKCG-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#CCOC ZINC001152452189 800524828 /nfs/dbraw/zinc/52/48/28/800524828.db2.gz VYMIQIZCRDKGMP-CQSZACIVSA-N 2 1 281.400 0.216 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380706 801628561 /nfs/dbraw/zinc/62/85/61/801628561.db2.gz UUZCPEXISKAJNL-CHWSQXEVSA-N 2 1 253.390 0.999 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159878401 801885494 /nfs/dbraw/zinc/88/54/94/801885494.db2.gz WXDSJKSTZIHLFW-CYBMUJFWSA-N 2 1 279.388 0.095 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C[NH3+])ncn1 ZINC001159921543 801889723 /nfs/dbraw/zinc/88/97/23/801889723.db2.gz ZEEFZGXTFYTJBV-LBPRGKRZSA-N 2 1 293.371 0.574 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC1 ZINC001160209284 801920345 /nfs/dbraw/zinc/92/03/45/801920345.db2.gz GPYIKDJKVSHVKI-HNNXBMFYSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC1 ZINC001160209284 801920350 /nfs/dbraw/zinc/92/03/50/801920350.db2.gz GPYIKDJKVSHVKI-HNNXBMFYSA-N 2 1 277.412 0.980 20 30 CCEDMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001161152259 802103036 /nfs/dbraw/zinc/10/30/36/802103036.db2.gz DUOXUOHXBAEDGG-INIZCTEOSA-N 2 1 285.391 0.953 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001164449235 802743232 /nfs/dbraw/zinc/74/32/32/802743232.db2.gz FKBKVDMHHRXXOE-AWEZNQCLSA-N 2 1 265.401 0.838 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164574375 802768616 /nfs/dbraw/zinc/76/86/16/802768616.db2.gz JHOPRQDNUZDEHH-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001276453797 803075235 /nfs/dbraw/zinc/07/52/35/803075235.db2.gz PYWKKGWHRRWMGY-ZDUSSCGKSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)CCC)C1 ZINC001276453797 803075239 /nfs/dbraw/zinc/07/52/39/803075239.db2.gz PYWKKGWHRRWMGY-ZDUSSCGKSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001205469416 803143040 /nfs/dbraw/zinc/14/30/40/803143040.db2.gz CPIKYJFNHSZYCX-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001205526174 803145716 /nfs/dbraw/zinc/14/57/16/803145716.db2.gz HXYZUURUUOTLQP-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206469106 803248803 /nfs/dbraw/zinc/24/88/03/803248803.db2.gz OVPCSXSDMBUCKY-DZGCQCFKSA-N 2 1 260.337 0.450 20 30 CCEDMP C#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206469106 803248807 /nfs/dbraw/zinc/24/88/07/803248807.db2.gz OVPCSXSDMBUCKY-DZGCQCFKSA-N 2 1 260.337 0.450 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001206952621 803316975 /nfs/dbraw/zinc/31/69/75/803316975.db2.gz XCCAOAYCRVRANZ-UHFFFAOYSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207547272 803419051 /nfs/dbraw/zinc/41/90/51/803419051.db2.gz QXHXWPXACIOXPT-BNOWGMLFSA-N 2 1 263.385 0.396 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001208356367 803509039 /nfs/dbraw/zinc/50/90/39/803509039.db2.gz PIQNXFIJGCJRLK-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001208356367 803509042 /nfs/dbraw/zinc/50/90/42/803509042.db2.gz PIQNXFIJGCJRLK-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001210477656 803651097 /nfs/dbraw/zinc/65/10/97/803651097.db2.gz ZRSQSTLCWQZPKR-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210477656 803651100 /nfs/dbraw/zinc/65/11/00/803651100.db2.gz ZRSQSTLCWQZPKR-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210477656 803651104 /nfs/dbraw/zinc/65/11/04/803651104.db2.gz ZRSQSTLCWQZPKR-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000402140047 803813517 /nfs/dbraw/zinc/81/35/17/803813517.db2.gz IQGIIZTUWFTPGT-HUUCEWRRSA-N 2 1 275.352 0.641 20 30 CCEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000402140047 803813527 /nfs/dbraw/zinc/81/35/27/803813527.db2.gz IQGIIZTUWFTPGT-HUUCEWRRSA-N 2 1 275.352 0.641 20 30 CCEDMP O=C(C[NH2+]C1CC[NH2+]CC1)NC1=CC(=O)CCC1 ZINC001219882650 804439777 /nfs/dbraw/zinc/43/97/77/804439777.db2.gz LKDJFGUNWPFTGI-UHFFFAOYSA-N 2 1 251.330 0.081 20 30 CCEDMP Cn1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1C#N ZINC001222085827 804862894 /nfs/dbraw/zinc/86/28/94/804862894.db2.gz MMVXSPSNIKQENH-UHFFFAOYSA-N 2 1 273.384 0.424 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001223487164 804974723 /nfs/dbraw/zinc/97/47/23/804974723.db2.gz GNGUWWAWBLCKII-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001277148372 805277350 /nfs/dbraw/zinc/27/73/50/805277350.db2.gz OMOVUWCSNCOIOI-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)C(C)C ZINC001246001854 807111805 /nfs/dbraw/zinc/11/18/05/807111805.db2.gz PDJZCGVEOVZHSL-STQMWFEESA-N 2 1 272.389 0.820 20 30 CCEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001278443670 807234746 /nfs/dbraw/zinc/23/47/46/807234746.db2.gz FXKAMODQJOJIFM-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001278443670 807234751 /nfs/dbraw/zinc/23/47/51/807234751.db2.gz FXKAMODQJOJIFM-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246491524 807265422 /nfs/dbraw/zinc/26/54/22/807265422.db2.gz SUIHNYLPILNJIZ-DOMZBBRYSA-N 2 1 258.369 0.640 20 30 CCEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252604595 807919023 /nfs/dbraw/zinc/91/90/23/807919023.db2.gz VLQCMSVCGZCUBB-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252604595 807919026 /nfs/dbraw/zinc/91/90/26/807919026.db2.gz VLQCMSVCGZCUBB-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001278786440 808245040 /nfs/dbraw/zinc/24/50/40/808245040.db2.gz CQPZKYUFWAIWRQ-GDBMZVCRSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001278786440 808245043 /nfs/dbraw/zinc/24/50/43/808245043.db2.gz CQPZKYUFWAIWRQ-GDBMZVCRSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001278786440 808245045 /nfs/dbraw/zinc/24/50/45/808245045.db2.gz CQPZKYUFWAIWRQ-GDBMZVCRSA-N 2 1 293.411 0.047 20 30 CCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001278869666 808395435 /nfs/dbraw/zinc/39/54/35/808395435.db2.gz WHMJMJVXSDXZID-AWEZNQCLSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](CCOC)CC1 ZINC001263110725 809450658 /nfs/dbraw/zinc/45/06/58/809450658.db2.gz GBDDSYOAKUPSME-AWEZNQCLSA-N 2 1 283.416 0.851 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001263879124 809597091 /nfs/dbraw/zinc/59/70/91/809597091.db2.gz NJRXRNBFGAKOCC-IHRRRGAJSA-N 2 1 265.401 0.999 20 30 CCEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001264455122 809658447 /nfs/dbraw/zinc/65/84/47/809658447.db2.gz XLRRATXHNCEPJB-ZNMIVQPWSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265318798 809756654 /nfs/dbraw/zinc/75/66/54/809756654.db2.gz DJJAGSUGRKFXES-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265318798 809756656 /nfs/dbraw/zinc/75/66/56/809756656.db2.gz DJJAGSUGRKFXES-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001265841816 809872438 /nfs/dbraw/zinc/87/24/38/809872438.db2.gz WMHUXIXVLUHNRK-GFCCVEGCSA-N 2 1 262.357 0.699 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265967602 809908485 /nfs/dbraw/zinc/90/84/85/809908485.db2.gz WOPFZKOXLFOGEO-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265967602 809908490 /nfs/dbraw/zinc/90/84/90/809908490.db2.gz WOPFZKOXLFOGEO-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCCF ZINC001266151651 809949593 /nfs/dbraw/zinc/94/95/93/809949593.db2.gz GMSMPIQNPDVNBZ-KBPBESRZSA-N 2 1 283.391 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCCF ZINC001266151651 809949597 /nfs/dbraw/zinc/94/95/97/809949597.db2.gz GMSMPIQNPDVNBZ-KBPBESRZSA-N 2 1 283.391 0.928 20 30 CCEDMP C#CC[N@@H+](CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267314603 811141789 /nfs/dbraw/zinc/14/17/89/811141789.db2.gz RRTUDHMNMNDDOD-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCOC)C1 ZINC001279241296 811471238 /nfs/dbraw/zinc/47/12/38/811471238.db2.gz CQYUDYWOGUFFNM-NRXISQOPSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCOC)C1 ZINC001279241296 811471242 /nfs/dbraw/zinc/47/12/42/811471242.db2.gz CQYUDYWOGUFFNM-NRXISQOPSA-N 2 1 293.411 0.309 20 30 CCEDMP CNC(NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)=[NH+]C ZINC000694968011 811539971 /nfs/dbraw/zinc/53/99/71/811539971.db2.gz KCJRAUUFCVPOKO-OAHLLOKOSA-N 2 1 289.427 0.597 20 30 CCEDMP CNC(NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)=[NH+]C ZINC000694968011 811539975 /nfs/dbraw/zinc/53/99/75/811539975.db2.gz KCJRAUUFCVPOKO-OAHLLOKOSA-N 2 1 289.427 0.597 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001267701455 811665135 /nfs/dbraw/zinc/66/51/35/811665135.db2.gz TWRPULUVFYYOOD-OKILXGFUSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001267701455 811665143 /nfs/dbraw/zinc/66/51/43/811665143.db2.gz TWRPULUVFYYOOD-OKILXGFUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH2+][C@H](CC)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001267820185 811815648 /nfs/dbraw/zinc/81/56/48/811815648.db2.gz OAHTYCNVOBIIHL-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001267847088 811831600 /nfs/dbraw/zinc/83/16/00/811831600.db2.gz SDZLNTXAXKFMQE-UHFFFAOYSA-N 2 1 265.401 0.978 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001267991097 811930961 /nfs/dbraw/zinc/93/09/61/811930961.db2.gz NJUAZMLFHFTJHU-HUUCEWRRSA-N 2 1 295.427 0.462 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001268025611 811994694 /nfs/dbraw/zinc/99/46/94/811994694.db2.gz DZKDKDFWZZXFFL-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001268025611 811994697 /nfs/dbraw/zinc/99/46/97/811994697.db2.gz DZKDKDFWZZXFFL-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001268029284 812024226 /nfs/dbraw/zinc/02/42/26/812024226.db2.gz DQAPVSSBGNRYSO-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001268029284 812024238 /nfs/dbraw/zinc/02/42/38/812024238.db2.gz DQAPVSSBGNRYSO-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001268029284 812024250 /nfs/dbraw/zinc/02/42/50/812024250.db2.gz DQAPVSSBGNRYSO-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001268029284 812024255 /nfs/dbraw/zinc/02/42/55/812024255.db2.gz DQAPVSSBGNRYSO-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP CN(C)/C=[NH+]/c1ccc(-n2nnc(CC[NH3+])n2)cc1C#N ZINC001167792068 812078364 /nfs/dbraw/zinc/07/83/64/812078364.db2.gz SWYGKEGRASJZJH-CXUHLZMHSA-N 2 1 284.327 0.257 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001268278540 812440788 /nfs/dbraw/zinc/44/07/88/812440788.db2.gz GBFFZKIOYXADAH-KGLIPLIRSA-N 2 1 274.368 0.699 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001028329475 812622759 /nfs/dbraw/zinc/62/27/59/812622759.db2.gz MCZSQEORJMAESQ-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001028329475 812622770 /nfs/dbraw/zinc/62/27/70/812622770.db2.gz MCZSQEORJMAESQ-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329475 812622775 /nfs/dbraw/zinc/62/27/75/812622775.db2.gz MCZSQEORJMAESQ-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329475 812622779 /nfs/dbraw/zinc/62/27/79/812622779.db2.gz MCZSQEORJMAESQ-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001028330076 812626153 /nfs/dbraw/zinc/62/61/53/812626153.db2.gz XJIYUWYMAYTVLD-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001028330076 812626157 /nfs/dbraw/zinc/62/61/57/812626157.db2.gz XJIYUWYMAYTVLD-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028330076 812626160 /nfs/dbraw/zinc/62/61/60/812626160.db2.gz XJIYUWYMAYTVLD-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028330076 812626164 /nfs/dbraw/zinc/62/61/64/812626164.db2.gz XJIYUWYMAYTVLD-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028545371 812832231 /nfs/dbraw/zinc/83/22/31/812832231.db2.gz PBEYPECOTFFGJN-ZFWWWQNUSA-N 2 1 275.396 0.400 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268645986 812974693 /nfs/dbraw/zinc/97/46/93/812974693.db2.gz LQZFPIYKZUPZSR-CHWSQXEVSA-N 2 1 251.374 0.587 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268755994 813067904 /nfs/dbraw/zinc/06/79/04/813067904.db2.gz GQLJNFIQFNMDMY-UONOGXRCSA-N 2 1 283.416 0.577 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001028638264 813087433 /nfs/dbraw/zinc/08/74/33/813087433.db2.gz FEZINKALTUJWJM-KBPBESRZSA-N 2 1 286.379 0.517 20 30 CCEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001028995791 813734385 /nfs/dbraw/zinc/73/43/85/813734385.db2.gz URSXQCQQJKXZTG-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001028995791 813734388 /nfs/dbraw/zinc/73/43/88/813734388.db2.gz URSXQCQQJKXZTG-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028995791 813734392 /nfs/dbraw/zinc/73/43/92/813734392.db2.gz URSXQCQQJKXZTG-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028995791 813734395 /nfs/dbraw/zinc/73/43/95/813734395.db2.gz URSXQCQQJKXZTG-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001028997304 813738024 /nfs/dbraw/zinc/73/80/24/813738024.db2.gz QXDBMYDPRXLVIM-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001028997304 813738028 /nfs/dbraw/zinc/73/80/28/813738028.db2.gz QXDBMYDPRXLVIM-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028997304 813738030 /nfs/dbraw/zinc/73/80/30/813738030.db2.gz QXDBMYDPRXLVIM-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028997304 813738035 /nfs/dbraw/zinc/73/80/35/813738035.db2.gz QXDBMYDPRXLVIM-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)CCN2CCOCC2)C1 ZINC001270640446 813867524 /nfs/dbraw/zinc/86/75/24/813867524.db2.gz BGBXOFXMMYECTK-MRXNPFEDSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001270640446 813867533 /nfs/dbraw/zinc/86/75/33/813867533.db2.gz BGBXOFXMMYECTK-MRXNPFEDSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001270640446 813867541 /nfs/dbraw/zinc/86/75/41/813867541.db2.gz BGBXOFXMMYECTK-MRXNPFEDSA-N 2 1 295.427 0.865 20 30 CCEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001271108864 814155293 /nfs/dbraw/zinc/15/52/93/814155293.db2.gz FQTKTJQRUKXHFY-CYBMUJFWSA-N 2 1 299.365 0.789 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C ZINC001271953339 814648766 /nfs/dbraw/zinc/64/87/66/814648766.db2.gz BHJBDKKSTGTQIU-KBPBESRZSA-N 2 1 263.385 0.943 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001030321977 815976018 /nfs/dbraw/zinc/97/60/18/815976018.db2.gz QZEVAKUQSNKHBZ-AWEZNQCLSA-N 2 1 263.385 0.705 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168416815 816151834 /nfs/dbraw/zinc/15/18/34/816151834.db2.gz FKGCTJWDOHMALR-UHFFFAOYSA-N 2 1 299.415 0.007 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001089038513 816220787 /nfs/dbraw/zinc/22/07/87/816220787.db2.gz ZSJUULOIHUTIGS-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001089038513 816220791 /nfs/dbraw/zinc/22/07/91/816220791.db2.gz ZSJUULOIHUTIGS-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001272384233 816379996 /nfs/dbraw/zinc/37/99/96/816379996.db2.gz NUBSMQFFTZFRJG-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696224 816454208 /nfs/dbraw/zinc/45/42/08/816454208.db2.gz PURVXDHRCGRRLR-KGLIPLIRSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696224 816454211 /nfs/dbraw/zinc/45/42/11/816454211.db2.gz PURVXDHRCGRRLR-KGLIPLIRSA-N 2 1 293.411 0.045 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030960296 816505848 /nfs/dbraw/zinc/50/58/48/816505848.db2.gz KJFBJEAZGGXXOB-JSGCOSHPSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030960296 816505852 /nfs/dbraw/zinc/50/58/52/816505852.db2.gz KJFBJEAZGGXXOB-JSGCOSHPSA-N 2 1 265.401 0.951 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127262649 816534858 /nfs/dbraw/zinc/53/48/58/816534858.db2.gz PGBAUFBCJKFUHQ-KGLIPLIRSA-N 2 1 263.385 0.590 20 30 CCEDMP CC#CCN1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031669489 817233422 /nfs/dbraw/zinc/23/34/22/817233422.db2.gz LJQLLKUIYFUQGY-JKSUJKDBSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031669489 817233429 /nfs/dbraw/zinc/23/34/29/817233429.db2.gz LJQLLKUIYFUQGY-JKSUJKDBSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031669489 817233437 /nfs/dbraw/zinc/23/34/37/817233437.db2.gz LJQLLKUIYFUQGY-JKSUJKDBSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CC2)C1 ZINC001031741342 817305262 /nfs/dbraw/zinc/30/52/62/817305262.db2.gz WWWHXFXWFOTTPY-INIZCTEOSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CC2)C1 ZINC001031741342 817305268 /nfs/dbraw/zinc/30/52/68/817305268.db2.gz WWWHXFXWFOTTPY-INIZCTEOSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778889 817579319 /nfs/dbraw/zinc/57/93/19/817579319.db2.gz ASTNQQFDRYXHRQ-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778889 817579326 /nfs/dbraw/zinc/57/93/26/817579326.db2.gz ASTNQQFDRYXHRQ-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778889 817579331 /nfs/dbraw/zinc/57/93/31/817579331.db2.gz ASTNQQFDRYXHRQ-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C#CCN1CC[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031017 818487299 /nfs/dbraw/zinc/48/72/99/818487299.db2.gz SPAJBPSXIFEZAB-MRXNPFEDSA-N 2 1 275.396 0.544 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033419062 818764298 /nfs/dbraw/zinc/76/42/98/818764298.db2.gz GNWRMPYIWVVNMY-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033419062 818764305 /nfs/dbraw/zinc/76/43/05/818764305.db2.gz GNWRMPYIWVVNMY-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033419062 818764309 /nfs/dbraw/zinc/76/43/09/818764309.db2.gz GNWRMPYIWVVNMY-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034385715 819188835 /nfs/dbraw/zinc/18/88/35/819188835.db2.gz NIGFVEKUUOEOOH-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034792992 819331758 /nfs/dbraw/zinc/33/17/58/819331758.db2.gz PYDVGMCENBZQLE-IHRRRGAJSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001034798695 819333747 /nfs/dbraw/zinc/33/37/47/819333747.db2.gz LVWQDPCBTTWELM-RBSFLKMASA-N 2 1 293.411 0.357 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001034798695 819333754 /nfs/dbraw/zinc/33/37/54/819333754.db2.gz LVWQDPCBTTWELM-RBSFLKMASA-N 2 1 293.411 0.357 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035612210 819588884 /nfs/dbraw/zinc/58/88/84/819588884.db2.gz CANBURPMOGFHTK-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001035612210 819588886 /nfs/dbraw/zinc/58/88/86/819588886.db2.gz CANBURPMOGFHTK-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035612210 819588892 /nfs/dbraw/zinc/58/88/92/819588892.db2.gz CANBURPMOGFHTK-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035612210 819588897 /nfs/dbraw/zinc/58/88/97/819588897.db2.gz CANBURPMOGFHTK-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035612218 819589346 /nfs/dbraw/zinc/58/93/46/819589346.db2.gz CANBURPMOGFHTK-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001035612218 819589351 /nfs/dbraw/zinc/58/93/51/819589351.db2.gz CANBURPMOGFHTK-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035612218 819589357 /nfs/dbraw/zinc/58/93/57/819589357.db2.gz CANBURPMOGFHTK-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035612218 819589362 /nfs/dbraw/zinc/58/93/62/819589362.db2.gz CANBURPMOGFHTK-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001036052566 819678986 /nfs/dbraw/zinc/67/89/86/819678986.db2.gz AYPLOCOXCFYIPH-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079493601 820413097 /nfs/dbraw/zinc/41/30/97/820413097.db2.gz YSKQMIYXKDYKIQ-UPJWGTAASA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079493601 820413102 /nfs/dbraw/zinc/41/31/02/820413102.db2.gz YSKQMIYXKDYKIQ-UPJWGTAASA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079493601 820413106 /nfs/dbraw/zinc/41/31/06/820413106.db2.gz YSKQMIYXKDYKIQ-UPJWGTAASA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079493601 820413115 /nfs/dbraw/zinc/41/31/15/820413115.db2.gz YSKQMIYXKDYKIQ-UPJWGTAASA-N 2 1 251.374 0.703 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCC1 ZINC001273201094 820542530 /nfs/dbraw/zinc/54/25/30/820542530.db2.gz JEYYEIHLSIUXNE-UHFFFAOYSA-N 2 1 260.341 0.453 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133552 820905008 /nfs/dbraw/zinc/90/50/08/820905008.db2.gz GSFZDGSEOWCELG-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133552 820905018 /nfs/dbraw/zinc/90/50/18/820905018.db2.gz GSFZDGSEOWCELG-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC)C[C@H]32)CC1 ZINC001084851130 821409532 /nfs/dbraw/zinc/40/95/32/821409532.db2.gz OCTKIXBQCHARGF-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598757 821843746 /nfs/dbraw/zinc/84/37/46/821843746.db2.gz ZOCZIWNOPJHXOH-HOTGVXAUSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598757 821843751 /nfs/dbraw/zinc/84/37/51/821843751.db2.gz ZOCZIWNOPJHXOH-HOTGVXAUSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC=C ZINC001085647032 821875582 /nfs/dbraw/zinc/87/55/82/821875582.db2.gz ACCMJLQQKNVGQU-GJZGRUSLSA-N 2 1 275.396 0.803 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC=C ZINC001085647032 821875591 /nfs/dbraw/zinc/87/55/91/821875591.db2.gz ACCMJLQQKNVGQU-GJZGRUSLSA-N 2 1 275.396 0.803 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086371148 822229065 /nfs/dbraw/zinc/22/90/65/822229065.db2.gz SLTLZUUUWLXBPE-AAVRWANBSA-N 2 1 263.385 0.444 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC=C)C1 ZINC001086390519 822234009 /nfs/dbraw/zinc/23/40/09/822234009.db2.gz YNKKCXPELMZMJH-KKUMJFAQSA-N 2 1 275.396 0.754 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC=C)C1 ZINC001086390519 822234014 /nfs/dbraw/zinc/23/40/14/822234014.db2.gz YNKKCXPELMZMJH-KKUMJFAQSA-N 2 1 275.396 0.754 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001086390267 822234062 /nfs/dbraw/zinc/23/40/62/822234062.db2.gz KIIBPRCZEGDFHU-IHRRRGAJSA-N 2 1 281.375 0.538 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001086390267 822234069 /nfs/dbraw/zinc/23/40/69/822234069.db2.gz KIIBPRCZEGDFHU-IHRRRGAJSA-N 2 1 281.375 0.538 20 30 CCEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169983434 836628678 /nfs/dbraw/zinc/62/86/78/836628678.db2.gz UGAXAYNPHQEVEI-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169983434 836628679 /nfs/dbraw/zinc/62/86/79/836628679.db2.gz UGAXAYNPHQEVEI-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132276 836727799 /nfs/dbraw/zinc/72/77/99/836727799.db2.gz RFYJXFLTWAIAPP-GJZGRUSLSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132276 836727806 /nfs/dbraw/zinc/72/78/06/836727806.db2.gz RFYJXFLTWAIAPP-GJZGRUSLSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132276 836727811 /nfs/dbraw/zinc/72/78/11/836727811.db2.gz RFYJXFLTWAIAPP-GJZGRUSLSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980573 836753657 /nfs/dbraw/zinc/75/36/57/836753657.db2.gz QYXHMBUCXFFGPY-ILXRZTDVSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCCCN1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001113658455 837189490 /nfs/dbraw/zinc/18/94/90/837189490.db2.gz WGFPVORKWFNVHG-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273487898 844259252 /nfs/dbraw/zinc/25/92/52/844259252.db2.gz UUEBSRHIJUSVEC-MRXNPFEDSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852592 838509523 /nfs/dbraw/zinc/50/95/23/838509523.db2.gz RZCMTXLAJJETJP-CYBMUJFWSA-N 2 1 269.389 0.378 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675914 839353485 /nfs/dbraw/zinc/35/34/85/839353485.db2.gz NLTYUIRDLACHMN-UONOGXRCSA-N 2 1 281.400 0.215 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135979183 839486617 /nfs/dbraw/zinc/48/66/17/839486617.db2.gz DAHXSYSEJNNUPR-LSDHHAIUSA-N 2 1 297.443 0.851 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCNC(=O)C1 ZINC001246307340 839780759 /nfs/dbraw/zinc/78/07/59/839780759.db2.gz MKCGUNVGMMUAIO-RYUDHWBXSA-N 2 1 283.372 0.081 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001091110289 840052191 /nfs/dbraw/zinc/05/21/91/840052191.db2.gz PMGJUABAAVVZTL-UHFFFAOYSA-N 2 1 290.367 0.467 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091095737 840052481 /nfs/dbraw/zinc/05/24/81/840052481.db2.gz BIDJUYJKWQLPIT-BLYZHGLHSA-N 2 1 281.400 0.376 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091095737 840052492 /nfs/dbraw/zinc/05/24/92/840052492.db2.gz BIDJUYJKWQLPIT-BLYZHGLHSA-N 2 1 281.400 0.376 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092010939 840984388 /nfs/dbraw/zinc/98/43/88/840984388.db2.gz OWWNIBFRCDLNLG-INMHGKMJSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092010939 840984393 /nfs/dbraw/zinc/98/43/93/840984393.db2.gz OWWNIBFRCDLNLG-INMHGKMJSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092010939 840984402 /nfs/dbraw/zinc/98/44/02/840984402.db2.gz OWWNIBFRCDLNLG-INMHGKMJSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203337833 841792890 /nfs/dbraw/zinc/79/28/90/841792890.db2.gz WJCCBFGHCLKKQF-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178360072 842830852 /nfs/dbraw/zinc/83/08/52/842830852.db2.gz KIDSZKLVFNPECV-KKUMJFAQSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CCN(C(=O)[C@H]1CC[N@H+]1CC)C1CC[NH+](C)CC1 ZINC001178739803 842913769 /nfs/dbraw/zinc/91/37/69/842913769.db2.gz RNSVUWQJIPIKLM-CQSZACIVSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCN(C(=O)[C@H]1CC[N@@H+]1CC)C1CC[NH+](C)CC1 ZINC001178739803 842913773 /nfs/dbraw/zinc/91/37/73/842913773.db2.gz RNSVUWQJIPIKLM-CQSZACIVSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180138297 843103995 /nfs/dbraw/zinc/10/39/95/843103995.db2.gz AMVUYCXFEFGORY-MJBXVCDLSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180226656 843119555 /nfs/dbraw/zinc/11/95/55/843119555.db2.gz FMIQCPBOYWAJRJ-KBPBESRZSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189479233 845140151 /nfs/dbraw/zinc/14/01/51/845140151.db2.gz ZPCUHOQAANZOLN-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221875 845357065 /nfs/dbraw/zinc/35/70/65/845357065.db2.gz RIWRNHCXXJEPBI-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ncc[nH]2)C1 ZINC001192581008 845878103 /nfs/dbraw/zinc/87/81/03/845878103.db2.gz QILOXAMLFUPPIW-VXGBXAGGSA-N 2 1 278.356 0.080 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193280775 846041425 /nfs/dbraw/zinc/04/14/25/846041425.db2.gz XVAKAPZCBPDRTP-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280775 846041432 /nfs/dbraw/zinc/04/14/32/846041432.db2.gz XVAKAPZCBPDRTP-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280775 846041436 /nfs/dbraw/zinc/04/14/36/846041436.db2.gz XVAKAPZCBPDRTP-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196131955 846688531 /nfs/dbraw/zinc/68/85/31/846688531.db2.gz REWKTVQXLUNMFU-QLFBSQMISA-N 2 1 295.427 0.291 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196115806 846691595 /nfs/dbraw/zinc/69/15/95/846691595.db2.gz RYALFTONQQIZKD-QLFBSQMISA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001196168333 846699693 /nfs/dbraw/zinc/69/96/93/846699693.db2.gz IUXDHXJPFHDRCO-RRFJBIMHSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001196168333 846699697 /nfs/dbraw/zinc/69/96/97/846699697.db2.gz IUXDHXJPFHDRCO-RRFJBIMHSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001196168333 846699704 /nfs/dbraw/zinc/69/97/04/846699704.db2.gz IUXDHXJPFHDRCO-RRFJBIMHSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CC[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197817169 846984732 /nfs/dbraw/zinc/98/47/32/846984732.db2.gz INGFLJWUNUKDLH-UHFFFAOYSA-N 2 1 269.389 0.285 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001197996707 847024702 /nfs/dbraw/zinc/02/47/02/847024702.db2.gz DXCZUQHQDNXATK-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001197996707 847024712 /nfs/dbraw/zinc/02/47/12/847024712.db2.gz DXCZUQHQDNXATK-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001197996707 847024719 /nfs/dbraw/zinc/02/47/19/847024719.db2.gz DXCZUQHQDNXATK-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001197996707 847024727 /nfs/dbraw/zinc/02/47/27/847024727.db2.gz DXCZUQHQDNXATK-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202165036 847861253 /nfs/dbraw/zinc/86/12/53/847861253.db2.gz PCRSWUCBHLWJLK-CQSZACIVSA-N 2 1 281.400 0.167 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001276002392 848887546 /nfs/dbraw/zinc/88/75/46/848887546.db2.gz KXNCBLBQCGJTIC-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3ccnc3)C[C@@H]21 ZINC001042173121 850587211 /nfs/dbraw/zinc/58/72/11/850587211.db2.gz LVURTAMNOWHJMJ-GJZGRUSLSA-N 2 1 286.379 0.829 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042216071 850598197 /nfs/dbraw/zinc/59/81/97/850598197.db2.gz LGQCABVGCHOFAL-HOCLYGCPSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001042732535 850747666 /nfs/dbraw/zinc/74/76/66/850747666.db2.gz YIWSQEGMJGLIGB-HNNXBMFYSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046198252 851416604 /nfs/dbraw/zinc/41/66/04/851416604.db2.gz UCXOEQHOFBCRMW-ZFWWWQNUSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046198252 851416609 /nfs/dbraw/zinc/41/66/09/851416609.db2.gz UCXOEQHOFBCRMW-ZFWWWQNUSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046198252 851416613 /nfs/dbraw/zinc/41/66/13/851416613.db2.gz UCXOEQHOFBCRMW-ZFWWWQNUSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001048587665 851977542 /nfs/dbraw/zinc/97/75/42/851977542.db2.gz QQGONIKMSSMNAQ-JONQDZQNSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001048587665 851977555 /nfs/dbraw/zinc/97/75/55/851977555.db2.gz QQGONIKMSSMNAQ-JONQDZQNSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001048587665 851977569 /nfs/dbraw/zinc/97/75/69/851977569.db2.gz QQGONIKMSSMNAQ-JONQDZQNSA-N 2 1 289.423 0.931 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048739858 852041602 /nfs/dbraw/zinc/04/16/02/852041602.db2.gz PEGSTWXDOZWWEP-ZNMIVQPWSA-N 2 1 293.411 0.283 20 30 CCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048739858 852041606 /nfs/dbraw/zinc/04/16/06/852041606.db2.gz PEGSTWXDOZWWEP-ZNMIVQPWSA-N 2 1 293.411 0.283 20 30 CCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048739858 852041610 /nfs/dbraw/zinc/04/16/10/852041610.db2.gz PEGSTWXDOZWWEP-ZNMIVQPWSA-N 2 1 293.411 0.283 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739858 852041611 /nfs/dbraw/zinc/04/16/11/852041611.db2.gz PEGSTWXDOZWWEP-ZNMIVQPWSA-N 2 1 293.411 0.283 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048739858 852041615 /nfs/dbraw/zinc/04/16/15/852041615.db2.gz PEGSTWXDOZWWEP-ZNMIVQPWSA-N 2 1 293.411 0.283 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001048859991 852086077 /nfs/dbraw/zinc/08/60/77/852086077.db2.gz BWKFUFJUUXJHSO-GASCZTMLSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116564 852167397 /nfs/dbraw/zinc/16/73/97/852167397.db2.gz SPVHZMOOKHITLM-GASCZTMLSA-N 2 1 293.411 0.285 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116564 852167400 /nfs/dbraw/zinc/16/74/00/852167400.db2.gz SPVHZMOOKHITLM-GASCZTMLSA-N 2 1 293.411 0.285 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001097430915 852540303 /nfs/dbraw/zinc/54/03/03/852540303.db2.gz SNTPWCFPQCJJAX-KFWWJZLASA-N 2 1 287.407 0.970 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001097430915 852540306 /nfs/dbraw/zinc/54/03/06/852540306.db2.gz SNTPWCFPQCJJAX-KFWWJZLASA-N 2 1 287.407 0.970 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001052948416 852675540 /nfs/dbraw/zinc/67/55/40/852675540.db2.gz FMTJERDSXWBRQG-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052948416 852675544 /nfs/dbraw/zinc/67/55/44/852675544.db2.gz FMTJERDSXWBRQG-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052948416 852675549 /nfs/dbraw/zinc/67/55/49/852675549.db2.gz FMTJERDSXWBRQG-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052948416 852675555 /nfs/dbraw/zinc/67/55/55/852675555.db2.gz FMTJERDSXWBRQG-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001054240113 852896527 /nfs/dbraw/zinc/89/65/27/852896527.db2.gz MRNMONSFOHEUDH-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054240113 852896535 /nfs/dbraw/zinc/89/65/35/852896535.db2.gz MRNMONSFOHEUDH-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054240113 852896542 /nfs/dbraw/zinc/89/65/42/852896542.db2.gz MRNMONSFOHEUDH-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072551092 854414826 /nfs/dbraw/zinc/41/48/26/854414826.db2.gz ALGGRTHZVVLAJC-ZDUSSCGKSA-N 2 1 261.369 0.248 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072551092 854414829 /nfs/dbraw/zinc/41/48/29/854414829.db2.gz ALGGRTHZVVLAJC-ZDUSSCGKSA-N 2 1 261.369 0.248 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072551092 854414831 /nfs/dbraw/zinc/41/48/31/854414831.db2.gz ALGGRTHZVVLAJC-ZDUSSCGKSA-N 2 1 261.369 0.248 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001072941244 854498021 /nfs/dbraw/zinc/49/80/21/854498021.db2.gz HKLIVXPUQNWGCF-UHFFFAOYSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001073428131 854558397 /nfs/dbraw/zinc/55/83/97/854558397.db2.gz XKRJGMHNMKHMNT-ZDUSSCGKSA-N 2 1 263.385 0.658 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073428131 854558400 /nfs/dbraw/zinc/55/84/00/854558400.db2.gz XKRJGMHNMKHMNT-ZDUSSCGKSA-N 2 1 263.385 0.658 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073428131 854558405 /nfs/dbraw/zinc/55/84/05/854558405.db2.gz XKRJGMHNMKHMNT-ZDUSSCGKSA-N 2 1 263.385 0.658 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223670 854853104 /nfs/dbraw/zinc/85/31/04/854853104.db2.gz WCTXUUHSYRLBRJ-KFWWJZLASA-N 2 1 287.407 0.827 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111465313 854909686 /nfs/dbraw/zinc/90/96/86/854909686.db2.gz OTQCGDTYVGHUHL-MCIONIFRSA-N 2 1 263.385 0.681 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111465313 854909689 /nfs/dbraw/zinc/90/96/89/854909689.db2.gz OTQCGDTYVGHUHL-MCIONIFRSA-N 2 1 263.385 0.681 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465313 854909691 /nfs/dbraw/zinc/90/96/91/854909691.db2.gz OTQCGDTYVGHUHL-MCIONIFRSA-N 2 1 263.385 0.681 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465313 854909694 /nfs/dbraw/zinc/90/96/94/854909694.db2.gz OTQCGDTYVGHUHL-MCIONIFRSA-N 2 1 263.385 0.681 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001099029795 854908077 /nfs/dbraw/zinc/90/80/77/854908077.db2.gz MSLYKGPGUPKDTI-ZOBUZTSGSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001099029795 854908082 /nfs/dbraw/zinc/90/80/82/854908082.db2.gz MSLYKGPGUPKDTI-ZOBUZTSGSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001099029795 854908091 /nfs/dbraw/zinc/90/80/91/854908091.db2.gz MSLYKGPGUPKDTI-ZOBUZTSGSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081613 855095460 /nfs/dbraw/zinc/09/54/60/855095460.db2.gz VNDLIOMGIAQNJR-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100085797 855097490 /nfs/dbraw/zinc/09/74/90/855097490.db2.gz QYDSNULDNVORBJ-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100085797 855097498 /nfs/dbraw/zinc/09/74/98/855097498.db2.gz QYDSNULDNVORBJ-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100085797 855097505 /nfs/dbraw/zinc/09/75/05/855097505.db2.gz QYDSNULDNVORBJ-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100437924 855168091 /nfs/dbraw/zinc/16/80/91/855168091.db2.gz HLRCDKHTZKOORJ-XSCHDIRWSA-N 2 1 295.427 0.766 20 30 CCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100437924 855168097 /nfs/dbraw/zinc/16/80/97/855168097.db2.gz HLRCDKHTZKOORJ-XSCHDIRWSA-N 2 1 295.427 0.766 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758960 855219745 /nfs/dbraw/zinc/21/97/45/855219745.db2.gz XFUKHZQWMMNAJH-UHFFFAOYSA-N 2 1 281.400 0.379 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001100873187 855234971 /nfs/dbraw/zinc/23/49/71/855234971.db2.gz XRLHWLASFLLGCW-WLYUNCDWSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001101008669 855253289 /nfs/dbraw/zinc/25/32/89/855253289.db2.gz PFVRUEICJDSHSX-NRXISQOPSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001101008669 855253298 /nfs/dbraw/zinc/25/32/98/855253298.db2.gz PFVRUEICJDSHSX-NRXISQOPSA-N 2 1 293.411 0.215 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102157412 855416711 /nfs/dbraw/zinc/41/67/11/855416711.db2.gz IEIGMJMNGJHQQM-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102157412 855416712 /nfs/dbraw/zinc/41/67/12/855416712.db2.gz IEIGMJMNGJHQQM-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001325307372 913333368 /nfs/dbraw/zinc/33/33/68/913333368.db2.gz DEPQURAVEKVUCC-KGLIPLIRSA-N 2 1 295.427 0.456 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001325595354 913485482 /nfs/dbraw/zinc/48/54/82/913485482.db2.gz IMHUMWZNAPCIAF-HIFRSBDPSA-N 2 1 288.395 0.899 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001283583236 891908546 /nfs/dbraw/zinc/90/85/46/891908546.db2.gz SNKQVAAAIXFAEH-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001481123419 892198552 /nfs/dbraw/zinc/19/85/52/892198552.db2.gz IEIBEFFDHBFOMV-CABCVRRESA-N 2 1 293.411 0.026 20 30 CCEDMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001481492422 892740040 /nfs/dbraw/zinc/74/00/40/892740040.db2.gz LJEMYALDIHXYSY-HNNXBMFYSA-N 2 1 288.395 0.995 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001481492422 892740052 /nfs/dbraw/zinc/74/00/52/892740052.db2.gz LJEMYALDIHXYSY-HNNXBMFYSA-N 2 1 288.395 0.995 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001482152714 893441564 /nfs/dbraw/zinc/44/15/64/893441564.db2.gz WCMNUZJIZLSKIG-AWEZNQCLSA-N 2 1 281.400 0.074 20 30 CCEDMP C=CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482282765 893764931 /nfs/dbraw/zinc/76/49/31/893764931.db2.gz FLSHPAJMXWHYCU-RBSFLKMASA-N 2 1 297.443 0.966 20 30 CCEDMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001326224165 913833955 /nfs/dbraw/zinc/83/39/55/913833955.db2.gz VQVYTLMZNBDCSW-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001326224165 913833971 /nfs/dbraw/zinc/83/39/71/913833971.db2.gz VQVYTLMZNBDCSW-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001482652653 894450153 /nfs/dbraw/zinc/45/01/53/894450153.db2.gz ZNSVDNHBYADMIP-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001482652653 894450160 /nfs/dbraw/zinc/45/01/60/894450160.db2.gz ZNSVDNHBYADMIP-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001482652653 894450168 /nfs/dbraw/zinc/45/01/68/894450168.db2.gz ZNSVDNHBYADMIP-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001482652653 894450173 /nfs/dbraw/zinc/45/01/73/894450173.db2.gz ZNSVDNHBYADMIP-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001482847346 894647199 /nfs/dbraw/zinc/64/71/99/894647199.db2.gz RFBJYGIGBIAGNC-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CC[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482892089 894674385 /nfs/dbraw/zinc/67/43/85/894674385.db2.gz WDKJHJJRJWLTTC-OLZOCXBDSA-N 2 1 253.390 0.999 20 30 CCEDMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001483587864 895665370 /nfs/dbraw/zinc/66/53/70/895665370.db2.gz OGCRTUHIYQCWDW-UKRRQHHQSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001484236844 896271298 /nfs/dbraw/zinc/27/12/98/896271298.db2.gz SHSMHLYGGPJGED-GDBMZVCRSA-N 2 1 295.427 0.293 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484411981 896380842 /nfs/dbraw/zinc/38/08/42/896380842.db2.gz GHGSVUCHWWOELK-OKILXGFUSA-N 2 1 265.401 0.904 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001485382461 897008561 /nfs/dbraw/zinc/00/85/61/897008561.db2.gz FLDMFQAIDRMMGT-KBPBESRZSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485382461 897008571 /nfs/dbraw/zinc/00/85/71/897008571.db2.gz FLDMFQAIDRMMGT-KBPBESRZSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485382461 897008578 /nfs/dbraw/zinc/00/85/78/897008578.db2.gz FLDMFQAIDRMMGT-KBPBESRZSA-N 2 1 281.400 0.024 20 30 CCEDMP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001032479066 897627371 /nfs/dbraw/zinc/62/73/71/897627371.db2.gz CQIFVXSAKVYYAR-KKUMJFAQSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001032479066 897627387 /nfs/dbraw/zinc/62/73/87/897627387.db2.gz CQIFVXSAKVYYAR-KKUMJFAQSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001032479066 897627389 /nfs/dbraw/zinc/62/73/89/897627389.db2.gz CQIFVXSAKVYYAR-KKUMJFAQSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001032479066 897627396 /nfs/dbraw/zinc/62/73/96/897627396.db2.gz CQIFVXSAKVYYAR-KKUMJFAQSA-N 2 1 275.396 0.779 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733890 898035628 /nfs/dbraw/zinc/03/56/28/898035628.db2.gz LQTJTGVNMYBYOH-STQMWFEESA-N 2 1 261.369 0.553 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733890 898035647 /nfs/dbraw/zinc/03/56/47/898035647.db2.gz LQTJTGVNMYBYOH-STQMWFEESA-N 2 1 261.369 0.553 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001032792666 898264767 /nfs/dbraw/zinc/26/47/67/898264767.db2.gz JJFYTAKZLBIWKR-KKUMJFAQSA-N 2 1 293.411 0.568 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001032792666 898264783 /nfs/dbraw/zinc/26/47/83/898264783.db2.gz JJFYTAKZLBIWKR-KKUMJFAQSA-N 2 1 293.411 0.568 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001032792666 898264796 /nfs/dbraw/zinc/26/47/96/898264796.db2.gz JJFYTAKZLBIWKR-KKUMJFAQSA-N 2 1 293.411 0.568 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001032792666 898264809 /nfs/dbraw/zinc/26/48/09/898264809.db2.gz JJFYTAKZLBIWKR-KKUMJFAQSA-N 2 1 293.411 0.568 20 30 CCEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001485838642 898363597 /nfs/dbraw/zinc/36/35/97/898363597.db2.gz VRIJRBKOSBZQQU-LSDHHAIUSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001485838642 898363611 /nfs/dbraw/zinc/36/36/11/898363611.db2.gz VRIJRBKOSBZQQU-LSDHHAIUSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001078683842 898448867 /nfs/dbraw/zinc/44/88/67/898448867.db2.gz XHDLPWGUVRHVFX-ZIAGYGMSSA-N 2 1 286.379 0.842 20 30 CCEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390683 900011998 /nfs/dbraw/zinc/01/19/98/900011998.db2.gz SYRVHAOTZNVGBQ-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189390683 900012006 /nfs/dbraw/zinc/01/20/06/900012006.db2.gz SYRVHAOTZNVGBQ-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189390683 900012014 /nfs/dbraw/zinc/01/20/14/900012014.db2.gz SYRVHAOTZNVGBQ-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C#CCC[N@H+](C)CCCN(C)C(=O)Cn1ccnc1C ZINC001327290230 914465463 /nfs/dbraw/zinc/46/54/63/914465463.db2.gz BCMSPMFGOBVPTP-UHFFFAOYSA-N 2 1 276.384 0.995 20 30 CCEDMP C#CCC[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001327290230 914465469 /nfs/dbraw/zinc/46/54/69/914465469.db2.gz BCMSPMFGOBVPTP-UHFFFAOYSA-N 2 1 276.384 0.995 20 30 CCEDMP C#CCC[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001327290230 914465471 /nfs/dbraw/zinc/46/54/71/914465471.db2.gz BCMSPMFGOBVPTP-UHFFFAOYSA-N 2 1 276.384 0.995 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001490776682 900723127 /nfs/dbraw/zinc/72/31/27/900723127.db2.gz KCBQQPLYDAYIHA-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001329592222 903812748 /nfs/dbraw/zinc/81/27/48/903812748.db2.gz MCKGQMWKXXJHEM-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001329592222 903812761 /nfs/dbraw/zinc/81/27/61/903812761.db2.gz MCKGQMWKXXJHEM-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001329592222 903812776 /nfs/dbraw/zinc/81/27/76/903812776.db2.gz MCKGQMWKXXJHEM-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001281800395 904349294 /nfs/dbraw/zinc/34/92/94/904349294.db2.gz XFQFZMMMEPXRIX-AWEZNQCLSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001282450019 904477525 /nfs/dbraw/zinc/47/75/25/904477525.db2.gz NJHUMBATPQRTBS-GXTWGEPZSA-N 2 1 288.395 0.824 20 30 CCEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001282450019 904477533 /nfs/dbraw/zinc/47/75/33/904477533.db2.gz NJHUMBATPQRTBS-GXTWGEPZSA-N 2 1 288.395 0.824 20 30 CCEDMP C#CC[NH2+]C1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001317222278 909039015 /nfs/dbraw/zinc/03/90/15/909039015.db2.gz CBBKHIIGGBNNLN-UHFFFAOYSA-N 2 1 265.401 0.978 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001317527602 909298185 /nfs/dbraw/zinc/29/81/85/909298185.db2.gz QFTBPMIJAKWJRO-CQSZACIVSA-N 2 1 274.368 0.653 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001317527602 909298196 /nfs/dbraw/zinc/29/81/96/909298196.db2.gz QFTBPMIJAKWJRO-CQSZACIVSA-N 2 1 274.368 0.653 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001318276666 909685009 /nfs/dbraw/zinc/68/50/09/909685009.db2.gz PYYWSIOMLVUBRQ-LSDHHAIUSA-N 2 1 297.443 0.966 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001319533421 910193044 /nfs/dbraw/zinc/19/30/44/910193044.db2.gz FUEBZBHUAYFWAN-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001320109617 910467607 /nfs/dbraw/zinc/46/76/07/910467607.db2.gz DHFMDBPHFUZGOK-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001321011786 911014177 /nfs/dbraw/zinc/01/41/77/911014177.db2.gz FOWSUMDQISGMDD-WSNITJDQSA-N 2 1 281.400 0.545 20 30 CCEDMP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001321011786 911014195 /nfs/dbraw/zinc/01/41/95/911014195.db2.gz FOWSUMDQISGMDD-WSNITJDQSA-N 2 1 281.400 0.545 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001392379235 911768831 /nfs/dbraw/zinc/76/88/31/911768831.db2.gz ZFKJWGHVQJCXIB-LBPRGKRZSA-N 2 1 289.807 0.290 20 30 CCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001328206234 915028608 /nfs/dbraw/zinc/02/86/08/915028608.db2.gz UAIQBXUYTYKOMH-UHFFFAOYSA-N 2 1 283.416 0.457 20 30 CCEDMP CC#CC[NH2+]CC1CC(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001328950836 915536668 /nfs/dbraw/zinc/53/66/68/915536668.db2.gz YTQIPARBUCMSRM-DQPZFDDXSA-N 2 1 289.423 0.980 20 30 CCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001330087174 916407002 /nfs/dbraw/zinc/40/70/02/916407002.db2.gz YDJZYLZUUJOLNM-AWEZNQCLSA-N 2 1 295.427 0.413 20 30 CCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001330087174 916407012 /nfs/dbraw/zinc/40/70/12/916407012.db2.gz YDJZYLZUUJOLNM-AWEZNQCLSA-N 2 1 295.427 0.413 20 30 CCEDMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001330686710 916794274 /nfs/dbraw/zinc/79/42/74/916794274.db2.gz QHBQNRBIRJQIKE-HDJSIYSDSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001331560406 917416146 /nfs/dbraw/zinc/41/61/46/917416146.db2.gz KQVBFPWKARRNDK-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001332631239 918332781 /nfs/dbraw/zinc/33/27/81/918332781.db2.gz GAKXYFLAUBZDJW-RBSFLKMASA-N 2 1 297.443 0.654 20 30 CCEDMP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001332631239 918332790 /nfs/dbraw/zinc/33/27/90/918332790.db2.gz GAKXYFLAUBZDJW-RBSFLKMASA-N 2 1 297.443 0.654 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001332631239 918332800 /nfs/dbraw/zinc/33/28/00/918332800.db2.gz GAKXYFLAUBZDJW-RBSFLKMASA-N 2 1 297.443 0.654 20 30 CCEDMP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001332633728 918333768 /nfs/dbraw/zinc/33/37/68/918333768.db2.gz SRJQODIRRQSFLW-QLFBSQMISA-N 2 1 297.443 0.654 20 30 CCEDMP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001332633728 918333777 /nfs/dbraw/zinc/33/37/77/918333777.db2.gz SRJQODIRRQSFLW-QLFBSQMISA-N 2 1 297.443 0.654 20 30 CCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001332633728 918333792 /nfs/dbraw/zinc/33/37/92/918333792.db2.gz SRJQODIRRQSFLW-QLFBSQMISA-N 2 1 297.443 0.654 20 30 CCEDMP C=CCO[C@@H]1CC[N@H+](C[C@H](O)CN(C)CCOC)C1 ZINC001332839303 918472185 /nfs/dbraw/zinc/47/21/85/918472185.db2.gz BMYIHWNSQQTNAT-ZIAGYGMSSA-N 2 1 272.389 0.202 20 30 CCEDMP C=CCO[C@@H]1CCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC001332839303 918472195 /nfs/dbraw/zinc/47/21/95/918472195.db2.gz BMYIHWNSQQTNAT-ZIAGYGMSSA-N 2 1 272.389 0.202 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH2+]C(C)(C)C)C1 ZINC001335180571 920000211 /nfs/dbraw/zinc/00/02/11/920000211.db2.gz JBIVBGYSXWZYGG-GFCCVEGCSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH2+]C(C)(C)C)C1 ZINC001335180571 920000225 /nfs/dbraw/zinc/00/02/25/920000225.db2.gz JBIVBGYSXWZYGG-GFCCVEGCSA-N 2 1 251.374 0.588 20 30 CCEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)CC#N)[C@H](C)C1 ZINC001335812460 920451246 /nfs/dbraw/zinc/45/12/46/920451246.db2.gz DIBOSEPTIHYABD-RBSFLKMASA-N 2 1 283.416 0.988 20 30 CCEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CC#N)[C@H](C)C1 ZINC001335812460 920451258 /nfs/dbraw/zinc/45/12/58/920451258.db2.gz DIBOSEPTIHYABD-RBSFLKMASA-N 2 1 283.416 0.988 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001357417647 926526608 /nfs/dbraw/zinc/52/66/08/926526608.db2.gz LNFKCJCFPGSFGY-MRXNPFEDSA-N 2 1 292.427 0.869 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001426054465 928740050 /nfs/dbraw/zinc/74/00/50/928740050.db2.gz OUPVWXJOCWIHFP-LBPRGKRZSA-N 2 1 291.823 0.488 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001374628741 930598616 /nfs/dbraw/zinc/59/86/16/930598616.db2.gz HKLJFVKSHNKYPD-NSHDSACASA-N 2 1 286.763 0.011 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC000068444332 348810350 /nfs/dbraw/zinc/81/03/50/348810350.db2.gz GZKNTBMGKBEZAX-UHFFFAOYSA-N 2 1 287.407 0.499 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000073436536 348952028 /nfs/dbraw/zinc/95/20/28/348952028.db2.gz GMOUCHOSSBRTAT-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000073436536 348952034 /nfs/dbraw/zinc/95/20/34/348952034.db2.gz GMOUCHOSSBRTAT-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173615948 351046846 /nfs/dbraw/zinc/04/68/46/351046846.db2.gz WZHJWBYLPWIWJF-GFCCVEGCSA-N 2 1 296.415 0.849 20 30 CCEDMP C=CCCOCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000305435147 649851197 /nfs/dbraw/zinc/85/11/97/649851197.db2.gz HRECKCBQNABUMQ-CYBMUJFWSA-N 2 1 268.405 0.968 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594445911 360312618 /nfs/dbraw/zinc/31/26/18/360312618.db2.gz NJAOKURLLKZLCN-CHWSQXEVSA-N 2 1 266.389 0.998 20 30 CCEDMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594444586 360312795 /nfs/dbraw/zinc/31/27/95/360312795.db2.gz UZFJSFPXEXHUIE-WCQYABFASA-N 2 1 270.352 0.558 20 30 CCEDMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595944564 360721943 /nfs/dbraw/zinc/72/19/43/360721943.db2.gz NPDXJYIMMUMRSL-VXGBXAGGSA-N 2 1 252.362 0.608 20 30 CCEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)Nc1ccccn1 ZINC000187857259 262145189 /nfs/dbraw/zinc/14/51/89/262145189.db2.gz APWAETSFNFJOKU-UHFFFAOYSA-N 2 1 263.345 0.531 20 30 CCEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)Nc1ccccn1 ZINC000187857259 262145191 /nfs/dbraw/zinc/14/51/91/262145191.db2.gz APWAETSFNFJOKU-UHFFFAOYSA-N 2 1 263.345 0.531 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362080927 389229017 /nfs/dbraw/zinc/22/90/17/389229017.db2.gz UKQZKNANSJRRGY-HNNXBMFYSA-N 2 1 292.427 0.143 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCCOC)CC1 ZINC000152354429 389288985 /nfs/dbraw/zinc/28/89/85/389288985.db2.gz DMXCBGLCZDIBTB-UHFFFAOYSA-N 2 1 295.427 0.416 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+](C)C(C)C ZINC000491616496 390115234 /nfs/dbraw/zinc/11/52/34/390115234.db2.gz BAUAZJBNCITYMZ-UHFFFAOYSA-N 2 1 268.405 0.581 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+](C)C(C)C ZINC000491616496 390115235 /nfs/dbraw/zinc/11/52/35/390115235.db2.gz BAUAZJBNCITYMZ-UHFFFAOYSA-N 2 1 268.405 0.581 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+](C)C(C)C ZINC000491616496 390115236 /nfs/dbraw/zinc/11/52/36/390115236.db2.gz BAUAZJBNCITYMZ-UHFFFAOYSA-N 2 1 268.405 0.581 20 30 CCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000564845532 390497113 /nfs/dbraw/zinc/49/71/13/390497113.db2.gz UHIAMNQKRXWXIU-ZFWWWQNUSA-N 2 1 280.416 0.267 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000564845531 390497548 /nfs/dbraw/zinc/49/75/48/390497548.db2.gz UHIAMNQKRXWXIU-UKRRQHHQSA-N 2 1 280.416 0.267 20 30 CCEDMP C=CC[C@@]1(C(=O)N2CCC[N@H+](CCOC)CC2)CCC[NH2+]1 ZINC000662786939 414795366 /nfs/dbraw/zinc/79/53/66/414795366.db2.gz AOMFJAVRKSEYFA-INIZCTEOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170732 260152901 /nfs/dbraw/zinc/15/29/01/260152901.db2.gz QLINOIHCQSPSJR-LLVKDONJSA-N 2 1 268.361 0.059 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000364036230 262111447 /nfs/dbraw/zinc/11/14/47/262111447.db2.gz JMNCJXIZMYDWKQ-RYUDHWBXSA-N 2 1 252.362 0.540 20 30 CCEDMP CCn1cc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cn1 ZINC000285003099 263089122 /nfs/dbraw/zinc/08/91/22/263089122.db2.gz IEOSICCAGAEKIQ-CYBMUJFWSA-N 2 1 278.404 0.792 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342113907 263389207 /nfs/dbraw/zinc/38/92/07/263389207.db2.gz WCTKMHDKEIURBT-RVMXOQNASA-N 2 1 294.399 0.446 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000329792956 276167953 /nfs/dbraw/zinc/16/79/53/276167953.db2.gz AOMLPIDNYAZVMM-ZIAGYGMSSA-N 2 1 297.447 0.220 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000329792956 276167954 /nfs/dbraw/zinc/16/79/54/276167954.db2.gz AOMLPIDNYAZVMM-ZIAGYGMSSA-N 2 1 297.447 0.220 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329792956 276167955 /nfs/dbraw/zinc/16/79/55/276167955.db2.gz AOMLPIDNYAZVMM-ZIAGYGMSSA-N 2 1 297.447 0.220 20 30 CCEDMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000582780581 329183997 /nfs/dbraw/zinc/18/39/97/329183997.db2.gz XDVOFEDYRIYCJW-CQSZACIVSA-N 2 1 279.388 0.378 20 30 CCEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)N1CCSCC1 ZINC000262506169 330018519 /nfs/dbraw/zinc/01/85/19/330018519.db2.gz ZWFQJJDOCOCOGE-UHFFFAOYSA-N 2 1 254.403 0.612 20 30 CCEDMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])NC2CCCCCC2)C1 ZINC000262346496 330007333 /nfs/dbraw/zinc/00/73/33/330007333.db2.gz XZQCKDJIOSZWHT-CQSZACIVSA-N 2 1 268.405 0.680 20 30 CCEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)N1CCSCC1 ZINC000262506169 330018517 /nfs/dbraw/zinc/01/85/17/330018517.db2.gz ZWFQJJDOCOCOGE-UHFFFAOYSA-N 2 1 254.403 0.612 20 30 CCEDMP C[NH+]=C(NC[C@H]1CCCO1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000262591564 330022503 /nfs/dbraw/zinc/02/25/03/330022503.db2.gz VAJDKCNENCTYFR-NWDGAFQWSA-N 2 1 254.378 0.282 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@H]1CCN(C2CC2)C1 ZINC000262814494 330033436 /nfs/dbraw/zinc/03/34/36/330033436.db2.gz ROKJIVBGYLXXFM-STQMWFEESA-N 3 1 279.432 0.340 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000262814494 330033438 /nfs/dbraw/zinc/03/34/38/330033438.db2.gz ROKJIVBGYLXXFM-STQMWFEESA-N 3 1 279.432 0.340 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000262814494 330033440 /nfs/dbraw/zinc/03/34/40/330033440.db2.gz ROKJIVBGYLXXFM-STQMWFEESA-N 3 1 279.432 0.340 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262814494 330033443 /nfs/dbraw/zinc/03/34/43/330033443.db2.gz ROKJIVBGYLXXFM-STQMWFEESA-N 3 1 279.432 0.340 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262814494 330033445 /nfs/dbraw/zinc/03/34/45/330033445.db2.gz ROKJIVBGYLXXFM-STQMWFEESA-N 3 1 279.432 0.340 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCC[C@@H]1C ZINC000263058253 330041303 /nfs/dbraw/zinc/04/13/03/330041303.db2.gz FFHLAUFTAWVYBB-GUTXKFCHSA-N 2 1 282.432 0.926 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000491340143 332193328 /nfs/dbraw/zinc/19/33/28/332193328.db2.gz VTVTVECRFPGHBG-CQSZACIVSA-N 2 1 280.416 0.725 20 30 CCEDMP C#C[C@@H](CCC)NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000491485765 332220541 /nfs/dbraw/zinc/22/05/41/332220541.db2.gz QYMFBHMBBOPBOT-ZDUSSCGKSA-N 2 1 266.389 0.625 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@H+](CCC)C1 ZINC000491495729 332222887 /nfs/dbraw/zinc/22/28/87/332222887.db2.gz LNGBYGCCYANVLD-CYBMUJFWSA-N 2 1 251.374 0.447 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000491543040 332233534 /nfs/dbraw/zinc/23/35/34/332233534.db2.gz DYNIQHAZEUYGSF-CYBMUJFWSA-N 2 1 253.390 0.644 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000491631727 332254319 /nfs/dbraw/zinc/25/43/19/332254319.db2.gz YVQRQUQNOKXLBZ-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000491636928 332257672 /nfs/dbraw/zinc/25/76/72/332257672.db2.gz VHMQHGYMKCPXIQ-LBPRGKRZSA-N 2 1 252.362 0.187 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000491640105 332260244 /nfs/dbraw/zinc/26/02/44/332260244.db2.gz XKZOFNUFHMZNKD-AWEZNQCLSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000491701134 332295520 /nfs/dbraw/zinc/29/55/20/332295520.db2.gz KTZYQWYPWINSKE-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000491701134 332295521 /nfs/dbraw/zinc/29/55/21/332295521.db2.gz KTZYQWYPWINSKE-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000491701134 332295522 /nfs/dbraw/zinc/29/55/22/332295522.db2.gz KTZYQWYPWINSKE-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000491717200 332306738 /nfs/dbraw/zinc/30/67/38/332306738.db2.gz VRCBMORCXRIADR-ZIAGYGMSSA-N 2 1 280.416 0.710 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000491726025 332309673 /nfs/dbraw/zinc/30/96/73/332309673.db2.gz CMYOQRBZYKMSPJ-AWEZNQCLSA-N 2 1 288.395 0.825 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000491726025 332309674 /nfs/dbraw/zinc/30/96/74/332309674.db2.gz CMYOQRBZYKMSPJ-AWEZNQCLSA-N 2 1 288.395 0.825 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000491802446 332356553 /nfs/dbraw/zinc/35/65/53/332356553.db2.gz GJRUUMIRIBEGEY-HNNXBMFYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000491803365 332357424 /nfs/dbraw/zinc/35/74/24/332357424.db2.gz JDWYQRHHJWJRDF-KGLIPLIRSA-N 2 1 280.416 0.568 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000383009830 336101788 /nfs/dbraw/zinc/10/17/88/336101788.db2.gz JOQOQPPICYVALP-SNVBAGLBSA-N 2 1 252.280 0.844 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000383009830 336101789 /nfs/dbraw/zinc/10/17/89/336101789.db2.gz JOQOQPPICYVALP-SNVBAGLBSA-N 2 1 252.280 0.844 20 30 CCEDMP CCC#C[C@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000679422459 545409202 /nfs/dbraw/zinc/40/92/02/545409202.db2.gz YRTQHFRHERBBFL-HNNXBMFYSA-N 2 1 280.412 0.947 20 30 CCEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])N(C)C2CC2)CC1 ZINC000305802158 649879466 /nfs/dbraw/zinc/87/94/66/649879466.db2.gz DTQHNNYWJUYKSM-CYBMUJFWSA-N 2 1 281.448 0.669 20 30 CCEDMP COC(=O)CC[NH+]1CCC(=NN2CC[NH+](C)CC2)CC1 ZINC000788699606 581122788 /nfs/dbraw/zinc/12/27/88/581122788.db2.gz YRBSQONWAARYKS-UHFFFAOYSA-N 2 1 282.388 0.249 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000746192014 581898779 /nfs/dbraw/zinc/89/87/79/581898779.db2.gz UKDBAFBAAANUCS-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000746675555 581922247 /nfs/dbraw/zinc/92/22/47/581922247.db2.gz MUMTUVREMAOCPP-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000746675555 581922251 /nfs/dbraw/zinc/92/22/51/581922251.db2.gz MUMTUVREMAOCPP-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](C)CC1 ZINC000886582087 613066000 /nfs/dbraw/zinc/06/60/00/613066000.db2.gz GDXLNLDICZZKHG-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000894863740 613079113 /nfs/dbraw/zinc/07/91/13/613079113.db2.gz PEQVZZQUJJIZPS-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000894863740 613079115 /nfs/dbraw/zinc/07/91/15/613079115.db2.gz PEQVZZQUJJIZPS-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000972355442 613092564 /nfs/dbraw/zinc/09/25/64/613092564.db2.gz WBULKWSLNJJVCY-STQMWFEESA-N 2 1 251.374 0.493 20 30 CCEDMP C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000847023025 613106863 /nfs/dbraw/zinc/10/68/63/613106863.db2.gz KOCKZYLMSKRQIM-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970875497 612996442 /nfs/dbraw/zinc/99/64/42/612996442.db2.gz PLRJISOLVDDHCW-QWHCGFSZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000981333601 613004446 /nfs/dbraw/zinc/00/44/46/613004446.db2.gz SADZZURKXAINCW-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000843101703 613064197 /nfs/dbraw/zinc/06/41/97/613064197.db2.gz PVVPORHOYPUKIL-DLBZAZTESA-N 2 1 290.407 0.843 20 30 CCEDMP C#CCC[C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000843101703 613064198 /nfs/dbraw/zinc/06/41/98/613064198.db2.gz PVVPORHOYPUKIL-DLBZAZTESA-N 2 1 290.407 0.843 20 30 CCEDMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](C)CC1 ZINC000886574657 613066775 /nfs/dbraw/zinc/06/67/75/613066775.db2.gz NVIRQHHQTXMXMY-UHFFFAOYSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891921057 613074813 /nfs/dbraw/zinc/07/48/13/613074813.db2.gz IRDWJTQRXZTJPG-VXGBXAGGSA-N 2 1 252.362 0.073 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CC#C)CC1 ZINC000922629942 613075464 /nfs/dbraw/zinc/07/54/64/613075464.db2.gz MLWPXHXXKLCUGG-UHFFFAOYSA-N 2 1 290.411 0.338 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000972330415 613080957 /nfs/dbraw/zinc/08/09/57/613080957.db2.gz GABLHANPAWIDIS-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000972330415 613080958 /nfs/dbraw/zinc/08/09/58/613080958.db2.gz GABLHANPAWIDIS-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000972330415 613080959 /nfs/dbraw/zinc/08/09/59/613080959.db2.gz GABLHANPAWIDIS-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000971682205 613083102 /nfs/dbraw/zinc/08/31/02/613083102.db2.gz MBNBLLQOZZCUBE-KGLIPLIRSA-N 2 1 286.379 0.926 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000971682205 613083105 /nfs/dbraw/zinc/08/31/05/613083105.db2.gz MBNBLLQOZZCUBE-KGLIPLIRSA-N 2 1 286.379 0.926 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000980409765 613090785 /nfs/dbraw/zinc/09/07/85/613090785.db2.gz VLFYUXQKPSJLEY-ZDUSSCGKSA-N 2 1 260.341 0.357 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000980409765 613090786 /nfs/dbraw/zinc/09/07/86/613090786.db2.gz VLFYUXQKPSJLEY-ZDUSSCGKSA-N 2 1 260.341 0.357 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000928444031 613131480 /nfs/dbraw/zinc/13/14/80/613131480.db2.gz IJNYDBSYWDQZEU-OCCSQVGLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000982148252 613143453 /nfs/dbraw/zinc/14/34/53/613143453.db2.gz APIFLUXLRZLWOC-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982148252 613143455 /nfs/dbraw/zinc/14/34/55/613143455.db2.gz APIFLUXLRZLWOC-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982148252 613143456 /nfs/dbraw/zinc/14/34/56/613143456.db2.gz APIFLUXLRZLWOC-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCC[C@H]2C)C1 ZINC000896488324 613184803 /nfs/dbraw/zinc/18/48/03/613184803.db2.gz GZNAWJAKMVIYPY-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCC[C@H]2C)C1 ZINC000896488324 613184805 /nfs/dbraw/zinc/18/48/05/613184805.db2.gz GZNAWJAKMVIYPY-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC[C@H]2C)C1 ZINC000896488324 613184807 /nfs/dbraw/zinc/18/48/07/613184807.db2.gz GZNAWJAKMVIYPY-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC[C@H]2C)C1 ZINC000896488324 613184809 /nfs/dbraw/zinc/18/48/09/613184809.db2.gz GZNAWJAKMVIYPY-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2([NH+](C)C)CC2)C1 ZINC000922983007 613184955 /nfs/dbraw/zinc/18/49/55/613184955.db2.gz GVDQIFYEXCNNTJ-ZDUSSCGKSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2([NH+](C)C)CC2)C1 ZINC000922983007 613184956 /nfs/dbraw/zinc/18/49/56/613184956.db2.gz GVDQIFYEXCNNTJ-ZDUSSCGKSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000923568966 613188717 /nfs/dbraw/zinc/18/87/17/613188717.db2.gz JIQZXQLOQMJBCL-UONOGXRCSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000923568966 613188719 /nfs/dbraw/zinc/18/87/19/613188719.db2.gz JIQZXQLOQMJBCL-UONOGXRCSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827320072 613196769 /nfs/dbraw/zinc/19/67/69/613196769.db2.gz QQSBXETVVQEOGG-ZNMIVQPWSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827320072 613196771 /nfs/dbraw/zinc/19/67/71/613196771.db2.gz QQSBXETVVQEOGG-ZNMIVQPWSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000827320072 613196772 /nfs/dbraw/zinc/19/67/72/613196772.db2.gz QQSBXETVVQEOGG-ZNMIVQPWSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000827320072 613196774 /nfs/dbraw/zinc/19/67/74/613196774.db2.gz QQSBXETVVQEOGG-ZNMIVQPWSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC000978282519 613199742 /nfs/dbraw/zinc/19/97/42/613199742.db2.gz NTIINKUZIZVPQN-XQLPTFJDSA-N 2 1 293.386 0.348 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC000978282519 613199743 /nfs/dbraw/zinc/19/97/43/613199743.db2.gz NTIINKUZIZVPQN-XQLPTFJDSA-N 2 1 293.386 0.348 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCF)C[C@H]21 ZINC000978282519 613199744 /nfs/dbraw/zinc/19/97/44/613199744.db2.gz NTIINKUZIZVPQN-XQLPTFJDSA-N 2 1 293.386 0.348 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCF)C[C@H]21 ZINC000978282519 613199745 /nfs/dbraw/zinc/19/97/45/613199745.db2.gz NTIINKUZIZVPQN-XQLPTFJDSA-N 2 1 293.386 0.348 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC)C[C@H]21 ZINC000978281719 613199855 /nfs/dbraw/zinc/19/98/55/613199855.db2.gz LQDWCMZHRXLKGF-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC)C[C@H]21 ZINC000978281719 613199857 /nfs/dbraw/zinc/19/98/57/613199857.db2.gz LQDWCMZHRXLKGF-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCC)C[C@H]21 ZINC000978281719 613199858 /nfs/dbraw/zinc/19/98/58/613199858.db2.gz LQDWCMZHRXLKGF-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCC)C[C@H]21 ZINC000978281719 613199860 /nfs/dbraw/zinc/19/98/60/613199860.db2.gz LQDWCMZHRXLKGF-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947686330 613224330 /nfs/dbraw/zinc/22/43/30/613224330.db2.gz WVHLJTJWZKEORY-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941218444 613228948 /nfs/dbraw/zinc/22/89/48/613228948.db2.gz XRPGDJWSWVEUHO-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218444 613228950 /nfs/dbraw/zinc/22/89/50/613228950.db2.gz XRPGDJWSWVEUHO-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218444 613228952 /nfs/dbraw/zinc/22/89/52/613228952.db2.gz XRPGDJWSWVEUHO-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969440412 613248193 /nfs/dbraw/zinc/24/81/93/613248193.db2.gz GKDVWDUYDPBNOZ-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969440412 613248196 /nfs/dbraw/zinc/24/81/96/613248196.db2.gz GKDVWDUYDPBNOZ-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968191322 613251697 /nfs/dbraw/zinc/25/16/97/613251697.db2.gz MICNXEDRGYPPSB-DZGCQCFKSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968191322 613251699 /nfs/dbraw/zinc/25/16/99/613251699.db2.gz MICNXEDRGYPPSB-DZGCQCFKSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982235273 613293266 /nfs/dbraw/zinc/29/32/66/613293266.db2.gz KZJXXKVEHDVRJX-OIISXLGYSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977470506 613296480 /nfs/dbraw/zinc/29/64/80/613296480.db2.gz DHOCFILUFCBNEQ-ZDUSSCGKSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977470506 613296482 /nfs/dbraw/zinc/29/64/82/613296482.db2.gz DHOCFILUFCBNEQ-ZDUSSCGKSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946890257 613305545 /nfs/dbraw/zinc/30/55/45/613305545.db2.gz LTNFHKAYFOFPGM-XHSDSOJGSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946890257 613305547 /nfs/dbraw/zinc/30/55/47/613305547.db2.gz LTNFHKAYFOFPGM-XHSDSOJGSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946890257 613305549 /nfs/dbraw/zinc/30/55/49/613305549.db2.gz LTNFHKAYFOFPGM-XHSDSOJGSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC#C)C[C@H]21 ZINC000978277295 613307755 /nfs/dbraw/zinc/30/77/55/613307755.db2.gz BUZXSTXQTYEALZ-JONQDZQNSA-N 2 1 285.391 0.011 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC#C)C[C@H]21 ZINC000978277295 613307757 /nfs/dbraw/zinc/30/77/57/613307757.db2.gz BUZXSTXQTYEALZ-JONQDZQNSA-N 2 1 285.391 0.011 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CC#C)[C@@H]2C1 ZINC000978277295 613307759 /nfs/dbraw/zinc/30/77/59/613307759.db2.gz BUZXSTXQTYEALZ-JONQDZQNSA-N 2 1 285.391 0.011 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3CC#C)[C@@H]2C1 ZINC000978277295 613307761 /nfs/dbraw/zinc/30/77/61/613307761.db2.gz BUZXSTXQTYEALZ-JONQDZQNSA-N 2 1 285.391 0.011 20 30 CCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000981435412 613311330 /nfs/dbraw/zinc/31/13/30/613311330.db2.gz HRLKDOALMIDETL-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000981435412 613311332 /nfs/dbraw/zinc/31/13/32/613311332.db2.gz HRLKDOALMIDETL-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981435412 613311334 /nfs/dbraw/zinc/31/13/34/613311334.db2.gz HRLKDOALMIDETL-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981435412 613311336 /nfs/dbraw/zinc/31/13/36/613311336.db2.gz HRLKDOALMIDETL-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC000961922982 613315208 /nfs/dbraw/zinc/31/52/08/613315208.db2.gz MHINJSIUOXMLJN-NHAGDIPZSA-N 2 1 286.379 0.686 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC000961922982 613315209 /nfs/dbraw/zinc/31/52/09/613315209.db2.gz MHINJSIUOXMLJN-NHAGDIPZSA-N 2 1 286.379 0.686 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000958414756 613344917 /nfs/dbraw/zinc/34/49/17/613344917.db2.gz KDGWELKDYAKMRU-RFQIPJPRSA-N 2 1 263.385 0.703 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958414756 613344918 /nfs/dbraw/zinc/34/49/18/613344918.db2.gz KDGWELKDYAKMRU-RFQIPJPRSA-N 2 1 263.385 0.703 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958414756 613344919 /nfs/dbraw/zinc/34/49/19/613344919.db2.gz KDGWELKDYAKMRU-RFQIPJPRSA-N 2 1 263.385 0.703 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](CCOC)C1 ZINC000900605780 613365650 /nfs/dbraw/zinc/36/56/50/613365650.db2.gz MJLOMCRAZKIMHW-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000876727695 613387984 /nfs/dbraw/zinc/38/79/84/613387984.db2.gz QXXYNRRKANWOEY-WDEREUQCSA-N 2 1 259.781 0.914 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000876747158 613390171 /nfs/dbraw/zinc/39/01/71/613390171.db2.gz XLAMATADECKNQL-JQWIXIFHSA-N 2 1 289.807 0.541 20 30 CCEDMP C=CC[C@H](C(=O)OC)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931479101 613410254 /nfs/dbraw/zinc/41/02/54/613410254.db2.gz KDCSXRRQIHGGQN-GFCCVEGCSA-N 2 1 270.373 0.493 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979067815 613629366 /nfs/dbraw/zinc/62/93/66/613629366.db2.gz CEOQUBLIXATSFF-ZQDZILKHSA-N 2 1 275.396 0.255 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979067815 613629369 /nfs/dbraw/zinc/62/93/69/613629369.db2.gz CEOQUBLIXATSFF-ZQDZILKHSA-N 2 1 275.396 0.255 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979067815 613629371 /nfs/dbraw/zinc/62/93/71/613629371.db2.gz CEOQUBLIXATSFF-ZQDZILKHSA-N 2 1 275.396 0.255 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000961465707 613633224 /nfs/dbraw/zinc/63/32/24/613633224.db2.gz PRUVJWXQOHDNPG-FICVDOATSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000960185659 613635452 /nfs/dbraw/zinc/63/54/52/613635452.db2.gz RJIPPPMDZRGOIW-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC000960185659 613635454 /nfs/dbraw/zinc/63/54/54/613635454.db2.gz RJIPPPMDZRGOIW-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC000960185659 613635457 /nfs/dbraw/zinc/63/54/57/613635457.db2.gz RJIPPPMDZRGOIW-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP C=CC[N@@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983024959 613689087 /nfs/dbraw/zinc/68/90/87/613689087.db2.gz ASQGZWYEXJNKKM-UHFFFAOYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978182241 613835077 /nfs/dbraw/zinc/83/50/77/613835077.db2.gz QIFUAICRVMLGMN-RYPNDVFKSA-N 2 1 277.412 0.807 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978182241 613835079 /nfs/dbraw/zinc/83/50/79/613835079.db2.gz QIFUAICRVMLGMN-RYPNDVFKSA-N 2 1 277.412 0.807 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978182241 613835081 /nfs/dbraw/zinc/83/50/81/613835081.db2.gz QIFUAICRVMLGMN-RYPNDVFKSA-N 2 1 277.412 0.807 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000969948823 613863476 /nfs/dbraw/zinc/86/34/76/613863476.db2.gz LHGDASQYEKTBFS-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000969407317 613865539 /nfs/dbraw/zinc/86/55/39/613865539.db2.gz DJQLVQUGJHUGDU-MYMJJRTCSA-N 2 1 291.395 0.226 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(C)CCCO1 ZINC000151239901 615131030 /nfs/dbraw/zinc/13/10/30/615131030.db2.gz NYEDZASSGMUXPK-OCCSQVGLSA-N 2 1 268.405 0.944 20 30 CCEDMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852884326 616449188 /nfs/dbraw/zinc/44/91/88/616449188.db2.gz IJRIIIHAWDYSLP-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022718882 622696816 /nfs/dbraw/zinc/69/68/16/622696816.db2.gz GAIAJCWICXAIQP-FVCCEPFGSA-N 2 1 251.374 0.607 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023130380 622921171 /nfs/dbraw/zinc/92/11/71/622921171.db2.gz LFICWKXVMRFFEH-MJBXVCDLSA-N 2 1 263.385 0.731 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001023446432 623033469 /nfs/dbraw/zinc/03/34/69/623033469.db2.gz PMESNJGRPBFVPH-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023446432 623033481 /nfs/dbraw/zinc/03/34/81/623033481.db2.gz PMESNJGRPBFVPH-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023446432 623033487 /nfs/dbraw/zinc/03/34/87/623033487.db2.gz PMESNJGRPBFVPH-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024760782 623433749 /nfs/dbraw/zinc/43/37/49/623433749.db2.gz XOBAQMCEPIKMCD-CQSZACIVSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024760782 623433756 /nfs/dbraw/zinc/43/37/56/623433756.db2.gz XOBAQMCEPIKMCD-CQSZACIVSA-N 2 1 275.396 0.686 20 30 CCEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001019771565 623904195 /nfs/dbraw/zinc/90/41/95/623904195.db2.gz SBRPAGRMNRAUHC-RYUDHWBXSA-N 2 1 271.792 0.881 20 30 CCEDMP CC[C@]1(C)CCN(C(NC[C@H]2C[N@@H+](C)CCN2C)=[NH+]C)C1 ZINC000261735176 624816199 /nfs/dbraw/zinc/81/61/99/624816199.db2.gz JWKKPXQRPGORGU-GOEBONIOSA-N 2 1 295.475 0.930 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(C)C)C1 ZINC001022221704 624894233 /nfs/dbraw/zinc/89/42/33/624894233.db2.gz KYBDOIQKAMJUNK-ZNMIVQPWSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(C)C)C1 ZINC001022221704 624894235 /nfs/dbraw/zinc/89/42/35/624894235.db2.gz KYBDOIQKAMJUNK-ZNMIVQPWSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650210 630834022 /nfs/dbraw/zinc/83/40/22/630834022.db2.gz CGFUFFDKKCUKAJ-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027650210 630834027 /nfs/dbraw/zinc/83/40/27/630834027.db2.gz CGFUFFDKKCUKAJ-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027650210 630834032 /nfs/dbraw/zinc/83/40/32/630834032.db2.gz CGFUFFDKKCUKAJ-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001027792217 630922282 /nfs/dbraw/zinc/92/22/82/630922282.db2.gz LWHBISOSKNCGAH-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792217 630922287 /nfs/dbraw/zinc/92/22/87/630922287.db2.gz LWHBISOSKNCGAH-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792217 630922292 /nfs/dbraw/zinc/92/22/92/630922292.db2.gz LWHBISOSKNCGAH-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001027804803 630933830 /nfs/dbraw/zinc/93/38/30/630933830.db2.gz IGCUIUIBMTYLQL-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027804803 630933834 /nfs/dbraw/zinc/93/38/34/630933834.db2.gz IGCUIUIBMTYLQL-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027804803 630933839 /nfs/dbraw/zinc/93/38/39/630933839.db2.gz IGCUIUIBMTYLQL-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027804803 630933844 /nfs/dbraw/zinc/93/38/44/630933844.db2.gz IGCUIUIBMTYLQL-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@]2(CCOC2)C1 ZINC000261964917 631735834 /nfs/dbraw/zinc/73/58/34/631735834.db2.gz LCLXMVAPXOCXLM-HNNXBMFYSA-N 2 1 291.399 0.879 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(C)no1 ZINC000261975410 631739814 /nfs/dbraw/zinc/73/98/14/631739814.db2.gz FTLGVCCQVBHOPQ-JTQLQIEISA-N 2 1 266.349 0.267 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989490666 633317536 /nfs/dbraw/zinc/31/75/36/633317536.db2.gz GQQWRSPSOIDLPH-UHFFFAOYSA-N 2 1 275.396 0.640 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001009595924 650150931 /nfs/dbraw/zinc/15/09/31/650150931.db2.gz QWMUKWNDTMBWSD-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001009595924 650150932 /nfs/dbraw/zinc/15/09/32/650150932.db2.gz QWMUKWNDTMBWSD-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009595924 650150934 /nfs/dbraw/zinc/15/09/34/650150934.db2.gz QWMUKWNDTMBWSD-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009595924 650150936 /nfs/dbraw/zinc/15/09/36/650150936.db2.gz QWMUKWNDTMBWSD-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992473976 637442248 /nfs/dbraw/zinc/44/22/48/637442248.db2.gz GNRLZHDYTUPSLD-IIAWOOMASA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992473976 637442250 /nfs/dbraw/zinc/44/22/50/637442250.db2.gz GNRLZHDYTUPSLD-IIAWOOMASA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992473976 637442254 /nfs/dbraw/zinc/44/22/54/637442254.db2.gz GNRLZHDYTUPSLD-IIAWOOMASA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993759463 637843309 /nfs/dbraw/zinc/84/33/09/637843309.db2.gz LDIVKNWHMJCRSL-DZGCQCFKSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001015705448 637877830 /nfs/dbraw/zinc/87/78/30/637877830.db2.gz LJVWFDRTGLADSJ-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015705448 637877835 /nfs/dbraw/zinc/87/78/35/637877835.db2.gz LJVWFDRTGLADSJ-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015705448 637877838 /nfs/dbraw/zinc/87/78/38/637877838.db2.gz LJVWFDRTGLADSJ-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000181475205 638373536 /nfs/dbraw/zinc/37/35/36/638373536.db2.gz SJWXNGVMFYVQDB-LBPRGKRZSA-N 2 1 254.378 0.506 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014455555 650453059 /nfs/dbraw/zinc/45/30/59/650453059.db2.gz MAHQBLMIQZKXQH-GJZGRUSLSA-N 2 1 275.396 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014456123 650453111 /nfs/dbraw/zinc/45/31/11/650453111.db2.gz NIFCFUQVBQKHAS-CABCVRRESA-N 2 1 275.396 0.542 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000997307081 638862673 /nfs/dbraw/zinc/86/26/73/638862673.db2.gz NSHKHXVUSZJKTK-UHFFFAOYSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014468627 650453802 /nfs/dbraw/zinc/45/38/02/650453802.db2.gz QDICQXVUJDWCFV-KBPBESRZSA-N 2 1 263.385 0.705 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999509002 638983524 /nfs/dbraw/zinc/98/35/24/638983524.db2.gz IMEJQMQPJHZYMT-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000999714418 638992687 /nfs/dbraw/zinc/99/26/87/638992687.db2.gz PKTFQKKJIPZLEB-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999997733 639031018 /nfs/dbraw/zinc/03/10/18/639031018.db2.gz HTXWYCQRJGJWQX-LSDHHAIUSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999997733 639031021 /nfs/dbraw/zinc/03/10/21/639031021.db2.gz HTXWYCQRJGJWQX-LSDHHAIUSA-N 2 1 293.411 0.309 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001000967636 639202297 /nfs/dbraw/zinc/20/22/97/639202297.db2.gz HKPOAIAHOMSDLI-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001000967636 639202299 /nfs/dbraw/zinc/20/22/99/639202299.db2.gz HKPOAIAHOMSDLI-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001000973444 639203238 /nfs/dbraw/zinc/20/32/38/639203238.db2.gz WDDQELYURSRIJB-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001000973444 639203243 /nfs/dbraw/zinc/20/32/43/639203243.db2.gz WDDQELYURSRIJB-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003497707 639555375 /nfs/dbraw/zinc/55/53/75/639555375.db2.gz WQLDXLDAFUOLIN-OAHLLOKOSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003497707 639555384 /nfs/dbraw/zinc/55/53/84/639555384.db2.gz WQLDXLDAFUOLIN-OAHLLOKOSA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003971501 639659229 /nfs/dbraw/zinc/65/92/29/639659229.db2.gz QBGXYERBJUAPIN-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP N#CCc1cccc2c1CC[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923409951 640125657 /nfs/dbraw/zinc/12/56/57/640125657.db2.gz KSPMCXZCPSDKQQ-BPUTZDHNSA-N 2 1 271.364 0.961 20 30 CCEDMP N#CCc1cccc2c1CC[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923409951 640125664 /nfs/dbraw/zinc/12/56/64/640125664.db2.gz KSPMCXZCPSDKQQ-BPUTZDHNSA-N 2 1 271.364 0.961 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015705951 650613058 /nfs/dbraw/zinc/61/30/58/650613058.db2.gz QWHBLFRNKONRLU-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015705951 650613060 /nfs/dbraw/zinc/61/30/60/650613060.db2.gz QWHBLFRNKONRLU-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015705951 650613064 /nfs/dbraw/zinc/61/30/64/650613064.db2.gz QWHBLFRNKONRLU-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015705951 650613065 /nfs/dbraw/zinc/61/30/65/650613065.db2.gz QWHBLFRNKONRLU-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccnc1C ZINC001018268733 650851062 /nfs/dbraw/zinc/85/10/62/650851062.db2.gz DMWYWVULFNOXIX-GASCZTMLSA-N 2 1 286.379 0.890 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000852861071 644028995 /nfs/dbraw/zinc/02/89/95/644028995.db2.gz ZHCPPTDJWDRVMJ-AWEZNQCLSA-N 2 1 275.396 0.590 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=C)C)C1 ZINC001020250345 651052811 /nfs/dbraw/zinc/05/28/11/651052811.db2.gz CIGVOIIAXMVVRL-KKUMJFAQSA-N 2 1 275.396 0.897 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=C)C)C1 ZINC001020250345 651052815 /nfs/dbraw/zinc/05/28/15/651052815.db2.gz CIGVOIIAXMVVRL-KKUMJFAQSA-N 2 1 275.396 0.897 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC)C1 ZINC001020251434 651052842 /nfs/dbraw/zinc/05/28/42/651052842.db2.gz MRBSRWVIQSDBRL-IHRRRGAJSA-N 2 1 263.385 0.731 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC)C1 ZINC001020251434 651052843 /nfs/dbraw/zinc/05/28/43/651052843.db2.gz MRBSRWVIQSDBRL-IHRRRGAJSA-N 2 1 263.385 0.731 20 30 CCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006402458 647925724 /nfs/dbraw/zinc/92/57/24/647925724.db2.gz XFFBFRHSGNUABV-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000195522528 649602133 /nfs/dbraw/zinc/60/21/33/649602133.db2.gz GGZOBFBTXOVYOX-STQMWFEESA-N 2 1 268.405 0.802 20 30 CCEDMP CC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303378596 649817444 /nfs/dbraw/zinc/81/74/44/649817444.db2.gz QBWKAHCTXQVBKA-OLZOCXBDSA-N 2 1 297.447 0.632 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000303717762 649824073 /nfs/dbraw/zinc/82/40/73/649824073.db2.gz UMBHXROCOSGCCA-AWEZNQCLSA-N 2 1 297.447 0.097 20 30 CCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303717762 649824074 /nfs/dbraw/zinc/82/40/74/649824074.db2.gz UMBHXROCOSGCCA-AWEZNQCLSA-N 3 1 297.447 0.097 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303717762 649824076 /nfs/dbraw/zinc/82/40/76/649824076.db2.gz UMBHXROCOSGCCA-AWEZNQCLSA-N 3 1 297.447 0.097 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)C(C)C ZINC000303790816 649825139 /nfs/dbraw/zinc/82/51/39/649825139.db2.gz WWSLEFJQWQVVMR-LBPRGKRZSA-N 2 1 283.420 0.147 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000303879506 649826361 /nfs/dbraw/zinc/82/63/61/649826361.db2.gz GOZXALKIMXDEIZ-LBPRGKRZSA-N 2 1 268.405 0.802 20 30 CCEDMP C[C@H](CNC(=[NH2+])N1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000303897945 649826651 /nfs/dbraw/zinc/82/66/51/649826651.db2.gz QWKCUKHDLQGOSF-QWHCGFSZSA-N 2 1 268.405 0.754 20 30 CCEDMP CN(C)C(=[NH+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)N(C)C ZINC000303973137 649827598 /nfs/dbraw/zinc/82/75/98/649827598.db2.gz GREAOOWHSGJAGY-LBPRGKRZSA-N 2 1 283.420 0.053 20 30 CCEDMP C[C@@H](CNC(=[NH2+])NC(C)(C)C)C[NH+]1CCOCC1 ZINC000304762261 649838722 /nfs/dbraw/zinc/83/87/22/649838722.db2.gz VLCUUGLVIDGLPQ-NSHDSACASA-N 2 1 256.394 0.658 20 30 CCEDMP C[C@@H](CNC(=[NH2+])NCC1CCC1)C[NH+]1CCOCC1 ZINC000304760360 649838879 /nfs/dbraw/zinc/83/88/79/649838879.db2.gz SGTKKHBRMVGESJ-LBPRGKRZSA-N 2 1 268.405 0.659 20 30 CCEDMP C=C(C)C[N@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001266275368 790380412 /nfs/dbraw/zinc/38/04/12/790380412.db2.gz WXKLFIXLVMNKCR-UHFFFAOYSA-N 2 1 293.415 0.682 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083195720 790623279 /nfs/dbraw/zinc/62/32/79/790623279.db2.gz KXDKAUIFQMKQQF-SOUVJXGZSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@@H+](CCC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266571517 790943666 /nfs/dbraw/zinc/94/36/66/790943666.db2.gz WPPXSXDPRQAOGC-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266571517 790943676 /nfs/dbraw/zinc/94/36/76/790943676.db2.gz WPPXSXDPRQAOGC-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266571517 790943685 /nfs/dbraw/zinc/94/36/85/790943685.db2.gz WPPXSXDPRQAOGC-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001266579301 790966563 /nfs/dbraw/zinc/96/65/63/790966563.db2.gz MKHPLRJULIOQGG-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@H+](CCC)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266579301 790966575 /nfs/dbraw/zinc/96/65/75/790966575.db2.gz MKHPLRJULIOQGG-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@@H+](CCC)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266579301 790966589 /nfs/dbraw/zinc/96/65/89/790966589.db2.gz MKHPLRJULIOQGG-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[NH+](CCC)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001266579301 790966603 /nfs/dbraw/zinc/96/66/03/790966603.db2.gz MKHPLRJULIOQGG-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[NH+](CCC)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001266579301 790966608 /nfs/dbraw/zinc/96/66/08/790966608.db2.gz MKHPLRJULIOQGG-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP CC#CC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001266611466 791024032 /nfs/dbraw/zinc/02/40/32/791024032.db2.gz KPXULEVRHJQSDW-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001266611466 791024038 /nfs/dbraw/zinc/02/40/38/791024038.db2.gz KPXULEVRHJQSDW-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001266611466 791024047 /nfs/dbraw/zinc/02/40/47/791024047.db2.gz KPXULEVRHJQSDW-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266667179 791104423 /nfs/dbraw/zinc/10/44/23/791104423.db2.gz SNUCUZCGBFJLCI-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266667179 791104426 /nfs/dbraw/zinc/10/44/26/791104426.db2.gz SNUCUZCGBFJLCI-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP N#Cc1cncc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234988564 806333685 /nfs/dbraw/zinc/33/36/85/806333685.db2.gz MVGWJVVDDZTEDD-AWEZNQCLSA-N 2 1 257.341 0.091 20 30 CCEDMP N#Cc1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)ccn1 ZINC001234990993 806337956 /nfs/dbraw/zinc/33/79/56/806337956.db2.gz OUUILMPNYNBAJI-AWEZNQCLSA-N 2 1 257.341 0.091 20 30 CCEDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CCCCC#N)C[C@@H]21 ZINC001277951998 806451763 /nfs/dbraw/zinc/45/17/63/806451763.db2.gz RSLOOHVCTQCCKF-GJZGRUSLSA-N 2 1 280.416 0.627 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150796300 800368867 /nfs/dbraw/zinc/36/88/67/800368867.db2.gz TVRAZYKIPUEGLW-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150796300 800368875 /nfs/dbraw/zinc/36/88/75/800368875.db2.gz TVRAZYKIPUEGLW-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150796300 800368883 /nfs/dbraw/zinc/36/88/83/800368883.db2.gz TVRAZYKIPUEGLW-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151057033 800392093 /nfs/dbraw/zinc/39/20/93/800392093.db2.gz QDYMMLMYIOWRLP-STQMWFEESA-N 2 1 253.390 0.999 20 30 CCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158506543 801660515 /nfs/dbraw/zinc/66/05/15/801660515.db2.gz LUBYVJNOOVBMOM-LSDHHAIUSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C(C)C ZINC001160209520 801919772 /nfs/dbraw/zinc/91/97/72/801919772.db2.gz OHMYAJLSJXSBEN-ZDUSSCGKSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C(C)C ZINC001160209520 801919777 /nfs/dbraw/zinc/91/97/77/801919777.db2.gz OHMYAJLSJXSBEN-ZDUSSCGKSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCC=C ZINC001160209451 801919859 /nfs/dbraw/zinc/91/98/59/801919859.db2.gz KUEYTMAWWQDEGX-HNNXBMFYSA-N 2 1 293.411 0.383 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCC=C ZINC001160209451 801919864 /nfs/dbraw/zinc/91/98/64/801919864.db2.gz KUEYTMAWWQDEGX-HNNXBMFYSA-N 2 1 293.411 0.383 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOC(C)C ZINC001160209573 801920895 /nfs/dbraw/zinc/92/08/95/801920895.db2.gz QZYHPKZBNIGVAN-HNNXBMFYSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOC(C)C ZINC001160209573 801920901 /nfs/dbraw/zinc/92/09/01/801920901.db2.gz QZYHPKZBNIGVAN-HNNXBMFYSA-N 2 1 295.427 0.605 20 30 CCEDMP N#Cc1ncc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)nc1C#N ZINC001160520612 801960136 /nfs/dbraw/zinc/96/01/36/801960136.db2.gz SBNYTLYUPJTQDX-AWEZNQCLSA-N 2 1 283.339 0.055 20 30 CCEDMP C#CC[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160676605 801998437 /nfs/dbraw/zinc/99/84/37/801998437.db2.gz AGROCOMCDQMEGB-UHFFFAOYSA-N 2 1 286.379 0.963 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160676605 801998442 /nfs/dbraw/zinc/99/84/42/801998442.db2.gz AGROCOMCDQMEGB-UHFFFAOYSA-N 2 1 286.379 0.963 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001161649851 802191231 /nfs/dbraw/zinc/19/12/31/802191231.db2.gz YZMHBFIMNLKSGV-AWEZNQCLSA-N 2 1 265.401 0.836 20 30 CCEDMP C[N@@H+]1C[C@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@H]2C1 ZINC001165144349 802787941 /nfs/dbraw/zinc/78/79/41/802787941.db2.gz HXMKTKHVMLFSGN-OKILXGFUSA-N 2 1 297.406 0.987 20 30 CCEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001267805838 811801867 /nfs/dbraw/zinc/80/18/67/811801867.db2.gz JBKSKHUGMNZLGN-ZDUSSCGKSA-N 2 1 265.401 0.978 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166736418 802954298 /nfs/dbraw/zinc/95/42/98/802954298.db2.gz KQNJLIYIHSIIQX-UHFFFAOYSA-N 2 1 265.401 0.838 20 30 CCEDMP C=CCc1cccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206519457 803258462 /nfs/dbraw/zinc/25/84/62/803258462.db2.gz LVXLGFRNWCAGSN-KBPBESRZSA-N 2 1 262.353 0.872 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208572041 803524320 /nfs/dbraw/zinc/52/43/20/803524320.db2.gz JBPJXSGHWUBYCK-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579255 814952443 /nfs/dbraw/zinc/95/24/43/814952443.db2.gz WWGGYIKOJRBCMD-CBBWQLFWSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1C ZINC001088579255 814952445 /nfs/dbraw/zinc/95/24/45/814952445.db2.gz WWGGYIKOJRBCMD-CBBWQLFWSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1C ZINC001088579255 814952448 /nfs/dbraw/zinc/95/24/48/814952448.db2.gz WWGGYIKOJRBCMD-CBBWQLFWSA-N 2 1 277.412 0.929 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213340141 803690749 /nfs/dbraw/zinc/69/07/49/803690749.db2.gz RUODIWFATIWZOP-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214949934 803768398 /nfs/dbraw/zinc/76/83/98/803768398.db2.gz GGEBJOUHUJBHNS-KBUPBQIOSA-N 2 1 293.411 0.165 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214949934 803768407 /nfs/dbraw/zinc/76/84/07/803768407.db2.gz GGEBJOUHUJBHNS-KBUPBQIOSA-N 2 1 293.411 0.165 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220572566 804627396 /nfs/dbraw/zinc/62/73/96/804627396.db2.gz BDXIENXKIWGQGH-QLFBSQMISA-N 2 1 297.443 0.700 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220572566 804627400 /nfs/dbraw/zinc/62/74/00/804627400.db2.gz BDXIENXKIWGQGH-QLFBSQMISA-N 2 1 297.443 0.700 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220688604 804650368 /nfs/dbraw/zinc/65/03/68/804650368.db2.gz MCEMSJANRMGKEG-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688604 804650371 /nfs/dbraw/zinc/65/03/71/804650371.db2.gz MCEMSJANRMGKEG-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688604 804650376 /nfs/dbraw/zinc/65/03/76/804650376.db2.gz MCEMSJANRMGKEG-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771376 804663391 /nfs/dbraw/zinc/66/33/91/804663391.db2.gz QOGUSXSZLALMTD-KGLIPLIRSA-N 2 1 293.411 0.210 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079118 804727099 /nfs/dbraw/zinc/72/70/99/804727099.db2.gz ISWYWDFRLVFAOZ-CABCVRRESA-N 2 1 295.427 0.600 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H]1C ZINC001088658752 815051426 /nfs/dbraw/zinc/05/14/26/815051426.db2.gz SUGYKZJKLVIZES-YIYPIFLZSA-N 2 1 281.400 0.471 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658752 815051439 /nfs/dbraw/zinc/05/14/39/815051439.db2.gz SUGYKZJKLVIZES-YIYPIFLZSA-N 2 1 281.400 0.471 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658752 815051446 /nfs/dbraw/zinc/05/14/46/815051446.db2.gz SUGYKZJKLVIZES-YIYPIFLZSA-N 2 1 281.400 0.471 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658752 815051453 /nfs/dbraw/zinc/05/14/53/815051453.db2.gz SUGYKZJKLVIZES-YIYPIFLZSA-N 2 1 281.400 0.471 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]CC(C)(C)O ZINC001245998186 807112121 /nfs/dbraw/zinc/11/21/21/807112121.db2.gz DGHXHHCLVFWQME-NSHDSACASA-N 2 1 258.362 0.574 20 30 CCEDMP C=CCC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246048703 807132968 /nfs/dbraw/zinc/13/29/68/807132968.db2.gz ZZXRATWZLUQFNS-IIAWOOMASA-N 2 1 296.411 0.788 20 30 CCEDMP C=CCOC1CCC([NH2+][C@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246304934 807215404 /nfs/dbraw/zinc/21/54/04/807215404.db2.gz IWJZNBMFHRYRIK-ABXWRUBCSA-N 2 1 254.374 0.670 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246305781 807216666 /nfs/dbraw/zinc/21/66/66/807216666.db2.gz JIUJKFRMJRHUHR-XGUBFFRZSA-N 3 1 295.427 0.801 20 30 CCEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001278444037 807237364 /nfs/dbraw/zinc/23/73/64/807237364.db2.gz NKPZMDMAZUBJSH-OAHLLOKOSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001278444037 807237367 /nfs/dbraw/zinc/23/73/67/807237367.db2.gz NKPZMDMAZUBJSH-OAHLLOKOSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCOC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001251885081 807733426 /nfs/dbraw/zinc/73/34/26/807733426.db2.gz NISSUUVMXAWRKN-KGLIPLIRSA-N 2 1 254.374 0.319 20 30 CCEDMP C=CC[NH+]1CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253390792 808053516 /nfs/dbraw/zinc/05/35/16/808053516.db2.gz BSVIJAXAFOQBPR-CYBMUJFWSA-N 2 1 255.406 0.539 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@@H](O)C1 ZINC001083506046 815177791 /nfs/dbraw/zinc/17/77/91/815177791.db2.gz NRVSDOIEUVWSME-KFWWJZLASA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](O)C1 ZINC001083506046 815177794 /nfs/dbraw/zinc/17/77/94/815177794.db2.gz NRVSDOIEUVWSME-KFWWJZLASA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083506046 815177796 /nfs/dbraw/zinc/17/77/96/815177796.db2.gz NRVSDOIEUVWSME-KFWWJZLASA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083506046 815177799 /nfs/dbraw/zinc/17/77/99/815177799.db2.gz NRVSDOIEUVWSME-KFWWJZLASA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001278761033 808178233 /nfs/dbraw/zinc/17/82/33/808178233.db2.gz ADSSBHABHLTYNS-QLFBSQMISA-N 2 1 295.427 0.149 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263808757 809573764 /nfs/dbraw/zinc/57/37/64/809573764.db2.gz CUHCFGGMRXEOQF-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263808757 809573768 /nfs/dbraw/zinc/57/37/68/809573768.db2.gz CUHCFGGMRXEOQF-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264455121 809658113 /nfs/dbraw/zinc/65/81/13/809658113.db2.gz XLRRATXHNCEPJB-RRFJBIMHSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076568964 815311869 /nfs/dbraw/zinc/31/18/69/815311869.db2.gz FEKWTBLFBMUTAV-MELADBBJSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076568964 815311876 /nfs/dbraw/zinc/31/18/76/815311876.db2.gz FEKWTBLFBMUTAV-MELADBBJSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076568964 815311882 /nfs/dbraw/zinc/31/18/82/815311882.db2.gz FEKWTBLFBMUTAV-MELADBBJSA-N 2 1 263.385 0.657 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001265311877 809755539 /nfs/dbraw/zinc/75/55/39/809755539.db2.gz CCTDZUQZLNZDJZ-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001265947633 809903408 /nfs/dbraw/zinc/90/34/08/809903408.db2.gz RZKSGHHUKYYLMQ-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001265947633 809903413 /nfs/dbraw/zinc/90/34/13/809903413.db2.gz RZKSGHHUKYYLMQ-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001280422084 810019115 /nfs/dbraw/zinc/01/91/15/810019115.db2.gz VGSZSGHPXHBUCG-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001280422084 810019120 /nfs/dbraw/zinc/01/91/20/810019120.db2.gz VGSZSGHPXHBUCG-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001280422084 810019121 /nfs/dbraw/zinc/01/91/21/810019121.db2.gz VGSZSGHPXHBUCG-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001280422084 810019125 /nfs/dbraw/zinc/01/91/25/810019125.db2.gz VGSZSGHPXHBUCG-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001267302092 811120870 /nfs/dbraw/zinc/12/08/70/811120870.db2.gz LUMGORJYADFDFO-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP CC#CC[N@@H+](CCC)CCNC(=O)Cn1ccnc1 ZINC001267320309 811150964 /nfs/dbraw/zinc/15/09/64/811150964.db2.gz FHBJQOFGJKVKIZ-UHFFFAOYSA-N 2 1 262.357 0.735 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267513934 811390745 /nfs/dbraw/zinc/39/07/45/811390745.db2.gz QOXZVCMPWUFZRG-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267513934 811390755 /nfs/dbraw/zinc/39/07/55/811390755.db2.gz QOXZVCMPWUFZRG-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CCN1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267684155 811650140 /nfs/dbraw/zinc/65/01/40/811650140.db2.gz WZWYQPUEYNMSRP-UHFFFAOYSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267684155 811650145 /nfs/dbraw/zinc/65/01/45/811650145.db2.gz WZWYQPUEYNMSRP-UHFFFAOYSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1CC(=C)C ZINC001038369931 811839261 /nfs/dbraw/zinc/83/92/61/811839261.db2.gz YAWDNNSPWOFYBY-CABCVRRESA-N 2 1 275.396 0.851 20 30 CCEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001267919569 811870033 /nfs/dbraw/zinc/87/00/33/811870033.db2.gz KFEDPHVPRFWZSZ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001267919569 811870040 /nfs/dbraw/zinc/87/00/40/811870040.db2.gz KFEDPHVPRFWZSZ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267919569 811870044 /nfs/dbraw/zinc/87/00/44/811870044.db2.gz KFEDPHVPRFWZSZ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267919569 811870052 /nfs/dbraw/zinc/87/00/52/811870052.db2.gz KFEDPHVPRFWZSZ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001268029283 812024287 /nfs/dbraw/zinc/02/42/87/812024287.db2.gz DQAPVSSBGNRYSO-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001268029283 812024295 /nfs/dbraw/zinc/02/42/95/812024295.db2.gz DQAPVSSBGNRYSO-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001268029283 812024307 /nfs/dbraw/zinc/02/43/07/812024307.db2.gz DQAPVSSBGNRYSO-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001268029283 812024316 /nfs/dbraw/zinc/02/43/16/812024316.db2.gz DQAPVSSBGNRYSO-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027997699 812205746 /nfs/dbraw/zinc/20/57/46/812205746.db2.gz QYVPQDAYDGQXHY-AWEZNQCLSA-N 2 1 275.396 0.829 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027997699 812205756 /nfs/dbraw/zinc/20/57/56/812205756.db2.gz QYVPQDAYDGQXHY-AWEZNQCLSA-N 2 1 275.396 0.829 20 30 CCEDMP CSc1ncc(C#N)c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167877606 812373614 /nfs/dbraw/zinc/37/36/14/812373614.db2.gz GUQDXVWSMYIUME-UHFFFAOYSA-N 2 1 279.373 0.167 20 30 CCEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268236669 812399412 /nfs/dbraw/zinc/39/94/12/812399412.db2.gz FGLGZAMNKGWSHW-ZIAGYGMSSA-N 2 1 265.401 0.740 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028461023 812728439 /nfs/dbraw/zinc/72/84/39/812728439.db2.gz HZKVTGBRHAWERB-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028461023 812728441 /nfs/dbraw/zinc/72/84/41/812728441.db2.gz HZKVTGBRHAWERB-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461023 812728447 /nfs/dbraw/zinc/72/84/47/812728447.db2.gz HZKVTGBRHAWERB-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461023 812728449 /nfs/dbraw/zinc/72/84/49/812728449.db2.gz HZKVTGBRHAWERB-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001268551425 812792483 /nfs/dbraw/zinc/79/24/83/812792483.db2.gz AYCQNUJGRXPINM-XHPSBEMXSA-N 2 1 273.380 0.369 20 30 CCEDMP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001268551425 812792490 /nfs/dbraw/zinc/79/24/90/812792490.db2.gz AYCQNUJGRXPINM-XHPSBEMXSA-N 2 1 273.380 0.369 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001268735086 813049652 /nfs/dbraw/zinc/04/96/52/813049652.db2.gz DQDPVBWTIDAHHY-ZIAGYGMSSA-N 2 1 288.395 0.905 20 30 CCEDMP COCC#CCN1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001268838731 813110070 /nfs/dbraw/zinc/11/00/70/813110070.db2.gz UPKHUZJKILDWAG-UHFFFAOYSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001268838731 813110081 /nfs/dbraw/zinc/11/00/81/813110081.db2.gz UPKHUZJKILDWAG-UHFFFAOYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001269078155 813207092 /nfs/dbraw/zinc/20/70/92/813207092.db2.gz ANDVQUKVCUUTFU-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001269078155 813207094 /nfs/dbraw/zinc/20/70/94/813207094.db2.gz ANDVQUKVCUUTFU-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001269078155 813207097 /nfs/dbraw/zinc/20/70/97/813207097.db2.gz ANDVQUKVCUUTFU-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CCC)C1CC1 ZINC001269140207 813235911 /nfs/dbraw/zinc/23/59/11/813235911.db2.gz DQHJDFVIHVWCRY-CQSZACIVSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001269540584 813409172 /nfs/dbraw/zinc/40/91/72/813409172.db2.gz GOZGBVLDQWFUGJ-ZDUSSCGKSA-N 2 1 281.400 0.522 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001269540584 813409174 /nfs/dbraw/zinc/40/91/74/813409174.db2.gz GOZGBVLDQWFUGJ-ZDUSSCGKSA-N 2 1 281.400 0.522 20 30 CCEDMP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001269895716 813547859 /nfs/dbraw/zinc/54/78/59/813547859.db2.gz WRIKVHJZRVIIKY-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001028996329 813736766 /nfs/dbraw/zinc/73/67/66/813736766.db2.gz DWQIJTPHOJOLQE-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001028996329 813736770 /nfs/dbraw/zinc/73/67/70/813736770.db2.gz DWQIJTPHOJOLQE-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001028996329 813736776 /nfs/dbraw/zinc/73/67/76/813736776.db2.gz DWQIJTPHOJOLQE-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028996329 813736780 /nfs/dbraw/zinc/73/67/80/813736780.db2.gz DWQIJTPHOJOLQE-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001029002910 813745194 /nfs/dbraw/zinc/74/51/94/813745194.db2.gz DKTRPTFLHPMOHX-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001029002910 813745197 /nfs/dbraw/zinc/74/51/97/813745197.db2.gz DKTRPTFLHPMOHX-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001029002910 813745203 /nfs/dbraw/zinc/74/52/03/813745203.db2.gz DKTRPTFLHPMOHX-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001270624790 813849417 /nfs/dbraw/zinc/84/94/17/813849417.db2.gz SYCBIPSVFFZRIL-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105941921 816017403 /nfs/dbraw/zinc/01/74/03/816017403.db2.gz QJRISEHTRFQDQE-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046217802 816444436 /nfs/dbraw/zinc/44/44/36/816444436.db2.gz HVINSESKPDMZNH-ZFWWWQNUSA-N 2 1 281.400 0.474 20 30 CCEDMP CC#CCN1CC[C@](C)(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001046414190 816570923 /nfs/dbraw/zinc/57/09/23/816570923.db2.gz GPVXZQFQNRDVPH-FMKPAKJESA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)COC)C1 ZINC001031742399 817307414 /nfs/dbraw/zinc/30/74/14/817307414.db2.gz DKYBUUGXYCXZDA-HIFRSBDPSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)COC)C1 ZINC001031742399 817307419 /nfs/dbraw/zinc/30/74/19/817307419.db2.gz DKYBUUGXYCXZDA-HIFRSBDPSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530967 817874339 /nfs/dbraw/zinc/87/43/39/817874339.db2.gz VRSQTQIUEZZKDZ-GDBMZVCRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032960316 818389029 /nfs/dbraw/zinc/38/90/29/818389029.db2.gz QWEGQXUAGLQDJK-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033264226 818683405 /nfs/dbraw/zinc/68/34/05/818683405.db2.gz BIPNMRXTQILKAJ-ZDUSSCGKSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033264226 818683407 /nfs/dbraw/zinc/68/34/07/818683407.db2.gz BIPNMRXTQILKAJ-ZDUSSCGKSA-N 2 1 262.357 0.910 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395878 818752768 /nfs/dbraw/zinc/75/27/68/818752768.db2.gz LKMUNWMMNXAISV-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033583635 818846033 /nfs/dbraw/zinc/84/60/33/818846033.db2.gz WZWUJHAUJHHSFB-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033583635 818846040 /nfs/dbraw/zinc/84/60/40/818846040.db2.gz WZWUJHAUJHHSFB-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033583635 818846045 /nfs/dbraw/zinc/84/60/45/818846045.db2.gz WZWUJHAUJHHSFB-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033662221 818882401 /nfs/dbraw/zinc/88/24/01/818882401.db2.gz PAEOMQKAAQMWLW-OLZOCXBDSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033662221 818882405 /nfs/dbraw/zinc/88/24/05/818882405.db2.gz PAEOMQKAAQMWLW-OLZOCXBDSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033662221 818882410 /nfs/dbraw/zinc/88/24/10/818882410.db2.gz PAEOMQKAAQMWLW-OLZOCXBDSA-N 2 1 251.374 0.657 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034039096 819038326 /nfs/dbraw/zinc/03/83/26/819038326.db2.gz FYJPUAWFIVHKHE-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034039096 819038330 /nfs/dbraw/zinc/03/83/30/819038330.db2.gz FYJPUAWFIVHKHE-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034149317 819096325 /nfs/dbraw/zinc/09/63/25/819096325.db2.gz VNFKLFMIEATAHY-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034149317 819096330 /nfs/dbraw/zinc/09/63/30/819096330.db2.gz VNFKLFMIEATAHY-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149317 819096335 /nfs/dbraw/zinc/09/63/35/819096335.db2.gz VNFKLFMIEATAHY-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149317 819096339 /nfs/dbraw/zinc/09/63/39/819096339.db2.gz VNFKLFMIEATAHY-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034489385 819222415 /nfs/dbraw/zinc/22/24/15/819222415.db2.gz BXUCKVJALLFIDJ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001035313021 819463230 /nfs/dbraw/zinc/46/32/30/819463230.db2.gz LWZFZVGJYRHTET-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035313021 819463234 /nfs/dbraw/zinc/46/32/34/819463234.db2.gz LWZFZVGJYRHTET-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035313021 819463239 /nfs/dbraw/zinc/46/32/39/819463239.db2.gz LWZFZVGJYRHTET-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001036052564 819678819 /nfs/dbraw/zinc/67/88/19/819678819.db2.gz AYPLOCOXCFYIPH-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001036113743 819690159 /nfs/dbraw/zinc/69/01/59/819690159.db2.gz SSMGHRLDOTXLEL-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CCN1CC[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273144429 819895466 /nfs/dbraw/zinc/89/54/66/819895466.db2.gz PUVLHYTTYJVXGV-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCN1CC[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144429 819895477 /nfs/dbraw/zinc/89/54/77/819895477.db2.gz PUVLHYTTYJVXGV-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCN1CC[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144429 819895488 /nfs/dbraw/zinc/89/54/88/819895488.db2.gz PUVLHYTTYJVXGV-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079494771 820412263 /nfs/dbraw/zinc/41/22/63/820412263.db2.gz OGGIGOWUUGUOLP-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079494771 820412269 /nfs/dbraw/zinc/41/22/69/820412269.db2.gz OGGIGOWUUGUOLP-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079494771 820412276 /nfs/dbraw/zinc/41/22/76/820412276.db2.gz OGGIGOWUUGUOLP-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080442534 820577873 /nfs/dbraw/zinc/57/78/73/820577873.db2.gz DMLYPABDNXRBPT-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001080442534 820577879 /nfs/dbraw/zinc/57/78/79/820577879.db2.gz DMLYPABDNXRBPT-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001080442534 820577882 /nfs/dbraw/zinc/57/78/82/820577882.db2.gz DMLYPABDNXRBPT-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080940057 820657660 /nfs/dbraw/zinc/65/76/60/820657660.db2.gz VTKGLJVMTZGNQF-HZSPNIEDSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080940057 820657666 /nfs/dbraw/zinc/65/76/66/820657666.db2.gz VTKGLJVMTZGNQF-HZSPNIEDSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080940057 820657671 /nfs/dbraw/zinc/65/76/71/820657671.db2.gz VTKGLJVMTZGNQF-HZSPNIEDSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080935109 820657861 /nfs/dbraw/zinc/65/78/61/820657861.db2.gz KURNNILOXYXFOV-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080935109 820657864 /nfs/dbraw/zinc/65/78/64/820657864.db2.gz KURNNILOXYXFOV-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080935109 820657870 /nfs/dbraw/zinc/65/78/70/820657870.db2.gz KURNNILOXYXFOV-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CCN1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082135149 820904157 /nfs/dbraw/zinc/90/41/57/820904157.db2.gz QPHQPRQCIMVIRT-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082135149 820904163 /nfs/dbraw/zinc/90/41/63/820904163.db2.gz QPHQPRQCIMVIRT-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082135149 820904173 /nfs/dbraw/zinc/90/41/73/820904173.db2.gz QPHQPRQCIMVIRT-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082135149 820904188 /nfs/dbraw/zinc/90/41/88/820904188.db2.gz QPHQPRQCIMVIRT-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369907 820946840 /nfs/dbraw/zinc/94/68/40/820946840.db2.gz IXVDGYJBGWBDIP-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082369907 820946845 /nfs/dbraw/zinc/94/68/45/820946845.db2.gz IXVDGYJBGWBDIP-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082369907 820946849 /nfs/dbraw/zinc/94/68/49/820946849.db2.gz IXVDGYJBGWBDIP-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCF)C1 ZINC001082568247 820999361 /nfs/dbraw/zinc/99/93/61/820999361.db2.gz HXAPWWITOQVIPZ-MCIONIFRSA-N 2 1 281.375 0.490 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCF)C1 ZINC001082568247 820999367 /nfs/dbraw/zinc/99/93/67/820999367.db2.gz HXAPWWITOQVIPZ-MCIONIFRSA-N 2 1 281.375 0.490 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC=C)C1 ZINC001082567738 821000607 /nfs/dbraw/zinc/00/06/07/821000607.db2.gz YRCBKJSJEBXMOX-KFWWJZLASA-N 2 1 275.396 0.707 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC=C)C1 ZINC001082567738 821000619 /nfs/dbraw/zinc/00/06/19/821000619.db2.gz YRCBKJSJEBXMOX-KFWWJZLASA-N 2 1 275.396 0.707 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702937 821020295 /nfs/dbraw/zinc/02/02/95/821020295.db2.gz PMNNCNWTDZBEMD-KFWWJZLASA-N 2 1 293.411 0.165 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702937 821020306 /nfs/dbraw/zinc/02/03/06/821020306.db2.gz PMNNCNWTDZBEMD-KFWWJZLASA-N 2 1 293.411 0.165 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608594 821327361 /nfs/dbraw/zinc/32/73/61/821327361.db2.gz CHNKKXYQYUTTDV-CAOSSQGBSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608594 821327368 /nfs/dbraw/zinc/32/73/68/821327368.db2.gz CHNKKXYQYUTTDV-CAOSSQGBSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608594 821327380 /nfs/dbraw/zinc/32/73/80/821327380.db2.gz CHNKKXYQYUTTDV-CAOSSQGBSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608594 821327388 /nfs/dbraw/zinc/32/73/88/821327388.db2.gz CHNKKXYQYUTTDV-CAOSSQGBSA-N 2 1 289.423 0.883 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001084866549 821415020 /nfs/dbraw/zinc/41/50/20/821415020.db2.gz WOKUQAUPULQXDH-ZIAGYGMSSA-N 2 1 274.368 0.992 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001273358430 821923632 /nfs/dbraw/zinc/92/36/32/821923632.db2.gz FEOAFPRSVFGERN-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086177495 822144129 /nfs/dbraw/zinc/14/41/29/822144129.db2.gz WHXWAHACLHATDR-ZNMIVQPWSA-N 2 1 295.427 0.766 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001086197365 822151624 /nfs/dbraw/zinc/15/16/24/822151624.db2.gz FFYOHCQBFZJLSL-IGQOVBAYSA-N 2 1 265.401 0.855 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086387436 822232858 /nfs/dbraw/zinc/23/28/58/822232858.db2.gz DLYXHVTXGWSBDL-MGPQQGTHSA-N 2 1 286.379 0.878 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100077265 822237579 /nfs/dbraw/zinc/23/75/79/822237579.db2.gz ZPHHNOOJRKHVNB-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCCOC ZINC001129770537 837558890 /nfs/dbraw/zinc/55/88/90/837558890.db2.gz HPVILVLGJDNINT-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCCOC ZINC001129770537 837558894 /nfs/dbraw/zinc/55/88/94/837558894.db2.gz HPVILVLGJDNINT-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130192492 837719335 /nfs/dbraw/zinc/71/93/35/837719335.db2.gz NRPDMERPLFQCSB-STQMWFEESA-N 2 1 251.374 0.895 20 30 CCEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108394859 836003247 /nfs/dbraw/zinc/00/32/47/836003247.db2.gz LJYFRPRJCYJFII-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394859 836003252 /nfs/dbraw/zinc/00/32/52/836003252.db2.gz LJYFRPRJCYJFII-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394859 836003264 /nfs/dbraw/zinc/00/32/64/836003264.db2.gz LJYFRPRJCYJFII-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109427324 836678187 /nfs/dbraw/zinc/67/81/87/836678187.db2.gz ZUCOMXSCMIJLLR-QPSCCSFWSA-N 2 1 277.412 0.927 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109427324 836678194 /nfs/dbraw/zinc/67/81/94/836678194.db2.gz ZUCOMXSCMIJLLR-QPSCCSFWSA-N 2 1 277.412 0.927 20 30 CCEDMP CCOC(=O)[C@H](C#N)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001170372983 837327706 /nfs/dbraw/zinc/32/77/06/837327706.db2.gz CXTFMTOPQLLCIX-LBPRGKRZSA-N 2 1 299.334 0.888 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426040 838393321 /nfs/dbraw/zinc/39/33/21/838393321.db2.gz RDMYUQPIADBPMN-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001132738459 838481023 /nfs/dbraw/zinc/48/10/23/838481023.db2.gz DPDWNWDHEDNTGO-CQSZACIVSA-N 2 1 265.401 0.838 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133863792 838753052 /nfs/dbraw/zinc/75/30/52/838753052.db2.gz POOPYEZOCNWNED-QWHCGFSZSA-N 2 1 253.390 0.856 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090674499 839723376 /nfs/dbraw/zinc/72/33/76/839723376.db2.gz WCHGIJLVCWNOHE-CABCVRRESA-N 2 1 295.427 0.456 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)CC[N@H+]2CC[C@H](F)C2)CC1 ZINC001136863367 839788387 /nfs/dbraw/zinc/78/83/87/839788387.db2.gz ZBDHGLZXHNJSJA-AWEZNQCLSA-N 2 1 281.375 0.588 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001136863367 839788392 /nfs/dbraw/zinc/78/83/92/839788392.db2.gz ZBDHGLZXHNJSJA-AWEZNQCLSA-N 2 1 281.375 0.588 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)CC[NH+]2CC[C@H](F)C2)CC1 ZINC001136863367 839788398 /nfs/dbraw/zinc/78/83/98/839788398.db2.gz ZBDHGLZXHNJSJA-AWEZNQCLSA-N 2 1 281.375 0.588 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)CC[NH+]2CC[C@H](F)C2)CC1 ZINC001136863367 839788402 /nfs/dbraw/zinc/78/84/02/839788402.db2.gz ZBDHGLZXHNJSJA-AWEZNQCLSA-N 2 1 281.375 0.588 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091530710 840254002 /nfs/dbraw/zinc/25/40/02/840254002.db2.gz FRROHXVRRSUWOF-YCPHGPKFSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091530710 840254049 /nfs/dbraw/zinc/25/40/49/840254049.db2.gz FRROHXVRRSUWOF-YCPHGPKFSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091530710 840254058 /nfs/dbraw/zinc/25/40/58/840254058.db2.gz FRROHXVRRSUWOF-YCPHGPKFSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333186 840286424 /nfs/dbraw/zinc/28/64/24/840286424.db2.gz NAMFRSZARQHVNZ-VXGBXAGGSA-N 2 1 262.357 0.698 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877888 840711447 /nfs/dbraw/zinc/71/14/47/840711447.db2.gz OWIUPVPYTBGBHI-LLVKDONJSA-N 2 1 259.781 0.787 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001148542385 840831286 /nfs/dbraw/zinc/83/12/86/840831286.db2.gz DZPCWDBXAXFJBS-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148542385 840831294 /nfs/dbraw/zinc/83/12/94/840831294.db2.gz DZPCWDBXAXFJBS-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCF)C[C@H]1C ZINC001092689627 841065036 /nfs/dbraw/zinc/06/50/36/841065036.db2.gz OXPBATSPOXQWRD-KFWWJZLASA-N 2 1 295.402 0.738 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCF)C[C@H]1C ZINC001092689627 841065048 /nfs/dbraw/zinc/06/50/48/841065048.db2.gz OXPBATSPOXQWRD-KFWWJZLASA-N 2 1 295.402 0.738 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCF)C[C@H]1C ZINC001092689627 841065060 /nfs/dbraw/zinc/06/50/60/841065060.db2.gz OXPBATSPOXQWRD-KFWWJZLASA-N 2 1 295.402 0.738 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCF)C[C@H]1C ZINC001092689627 841065071 /nfs/dbraw/zinc/06/50/71/841065071.db2.gz OXPBATSPOXQWRD-KFWWJZLASA-N 2 1 295.402 0.738 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171762598 841760262 /nfs/dbraw/zinc/76/02/62/841760262.db2.gz HPKQMPUGYGTBRQ-UHFFFAOYSA-N 2 1 271.405 0.627 20 30 CCEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176636212 842393861 /nfs/dbraw/zinc/39/38/61/842393861.db2.gz LYFBNHGIJRLCRS-CQSZACIVSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176636212 842393873 /nfs/dbraw/zinc/39/38/73/842393873.db2.gz LYFBNHGIJRLCRS-CQSZACIVSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177088692 842504565 /nfs/dbraw/zinc/50/45/65/842504565.db2.gz MRBCMBGANLHHCW-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177088692 842504570 /nfs/dbraw/zinc/50/45/70/842504570.db2.gz MRBCMBGANLHHCW-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180227027 843120550 /nfs/dbraw/zinc/12/05/50/843120550.db2.gz YQMBUOHOMFEUDW-KBPBESRZSA-N 2 1 265.401 0.929 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801793 845226644 /nfs/dbraw/zinc/22/66/44/845226644.db2.gz NHGVVLCEZRQJJY-LSDHHAIUSA-N 2 1 295.427 0.673 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192353218 845824850 /nfs/dbraw/zinc/82/48/50/845824850.db2.gz BRKGBISQBQCHEO-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@@H+](C)CC#CCOC)C1 ZINC001192969692 845957612 /nfs/dbraw/zinc/95/76/12/845957612.db2.gz MWOWGRDMUNFMFY-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193292836 846045743 /nfs/dbraw/zinc/04/57/43/846045743.db2.gz UVGSKABSJABFOE-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193292836 846045750 /nfs/dbraw/zinc/04/57/50/846045750.db2.gz UVGSKABSJABFOE-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193292836 846045754 /nfs/dbraw/zinc/04/57/54/846045754.db2.gz UVGSKABSJABFOE-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859617 846633951 /nfs/dbraw/zinc/63/39/51/846633951.db2.gz MEFCBBZNKFIKIP-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[C@H](C(=O)OC)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001196788950 846800801 /nfs/dbraw/zinc/80/08/01/846800801.db2.gz FVZJQQCZPQQCGW-FRRDWIJNSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196788950 846800812 /nfs/dbraw/zinc/80/08/12/846800812.db2.gz FVZJQQCZPQQCGW-FRRDWIJNSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[C@H](C(=O)OC)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196788950 846800825 /nfs/dbraw/zinc/80/08/25/846800825.db2.gz FVZJQQCZPQQCGW-FRRDWIJNSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[C@H](C(=O)OC)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001196788950 846800832 /nfs/dbraw/zinc/80/08/32/846800832.db2.gz FVZJQQCZPQQCGW-FRRDWIJNSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[C@H](C(=O)OC)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001196788950 846800842 /nfs/dbraw/zinc/80/08/42/846800842.db2.gz FVZJQQCZPQQCGW-FRRDWIJNSA-N 2 1 252.358 0.988 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)CCCn2ccnc2)CC1 ZINC001198367855 847095106 /nfs/dbraw/zinc/09/51/06/847095106.db2.gz BFIUDCFVIYKNRY-UHFFFAOYSA-N 2 1 274.368 0.831 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202166077 847862338 /nfs/dbraw/zinc/86/23/38/847862338.db2.gz UXNSEMFUPXDOTK-AWEZNQCLSA-N 2 1 283.416 0.720 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001115000768 848030060 /nfs/dbraw/zinc/03/00/60/848030060.db2.gz LMFUZXIEMWQBOO-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114410048 848050367 /nfs/dbraw/zinc/05/03/67/848050367.db2.gz SHBIJWIMVFUDQS-DGAVXFQQSA-N 2 1 261.369 0.006 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114442408 848066164 /nfs/dbraw/zinc/06/61/64/848066164.db2.gz GSZWEKZEFIMMOR-YJNKXOJESA-N 2 1 277.412 0.642 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](C)O ZINC001153864465 848092734 /nfs/dbraw/zinc/09/27/34/848092734.db2.gz UIDQARWKHWRRCH-KFWWJZLASA-N 2 1 295.427 0.291 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)O ZINC001153864465 848092742 /nfs/dbraw/zinc/09/27/42/848092742.db2.gz UIDQARWKHWRRCH-KFWWJZLASA-N 2 1 295.427 0.291 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](C)O ZINC001153864465 848092752 /nfs/dbraw/zinc/09/27/52/848092752.db2.gz UIDQARWKHWRRCH-KFWWJZLASA-N 2 1 295.427 0.291 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@@H](C)O ZINC001153864465 848092758 /nfs/dbraw/zinc/09/27/58/848092758.db2.gz UIDQARWKHWRRCH-KFWWJZLASA-N 2 1 295.427 0.291 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@@H](C)O ZINC001153864465 848092761 /nfs/dbraw/zinc/09/27/61/848092761.db2.gz UIDQARWKHWRRCH-KFWWJZLASA-N 2 1 295.427 0.291 20 30 CCEDMP C=CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001274006980 848297111 /nfs/dbraw/zinc/29/71/11/848297111.db2.gz JUIOTORYWIKRHH-AWEZNQCLSA-N 2 1 295.427 0.769 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001274957608 848602786 /nfs/dbraw/zinc/60/27/86/848602786.db2.gz ZGMWMBXUSFHQKG-CQSZACIVSA-N 2 1 281.400 0.216 20 30 CCEDMP C=C(C)C[NH2+]CC1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001275299027 848687433 /nfs/dbraw/zinc/68/74/33/848687433.db2.gz COMANZVDRFBHQZ-UHFFFAOYSA-N 2 1 295.427 0.769 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001275416310 848715608 /nfs/dbraw/zinc/71/56/08/848715608.db2.gz UVDMQLAGPIWWHW-KBPBESRZSA-N 2 1 295.427 0.603 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001044778910 851157450 /nfs/dbraw/zinc/15/74/50/851157450.db2.gz BTZHVCPIILSCKW-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046844454 851628969 /nfs/dbraw/zinc/62/89/69/851628969.db2.gz BAVVVQUYANHNFU-HOCLYGCPSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046844454 851628973 /nfs/dbraw/zinc/62/89/73/851628973.db2.gz BAVVVQUYANHNFU-HOCLYGCPSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046844454 851628978 /nfs/dbraw/zinc/62/89/78/851628978.db2.gz BAVVVQUYANHNFU-HOCLYGCPSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046844454 851628983 /nfs/dbraw/zinc/62/89/83/851628983.db2.gz BAVVVQUYANHNFU-HOCLYGCPSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047595962 851829473 /nfs/dbraw/zinc/82/94/73/851829473.db2.gz LQVXGFDNRTYJNL-RDBSUJKOSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001047595962 851829478 /nfs/dbraw/zinc/82/94/78/851829478.db2.gz LQVXGFDNRTYJNL-RDBSUJKOSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001047595962 851829482 /nfs/dbraw/zinc/82/94/82/851829482.db2.gz LQVXGFDNRTYJNL-RDBSUJKOSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048823975 852076474 /nfs/dbraw/zinc/07/64/74/852076474.db2.gz OZEBLUQVOQGRLP-XHSDSOJGSA-N 2 1 289.423 0.904 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049058292 852148363 /nfs/dbraw/zinc/14/83/63/852148363.db2.gz WOWDWXABNGQAAD-KFWWJZLASA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049058292 852148370 /nfs/dbraw/zinc/14/83/70/852148370.db2.gz WOWDWXABNGQAAD-KFWWJZLASA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049058292 852148374 /nfs/dbraw/zinc/14/83/74/852148374.db2.gz WOWDWXABNGQAAD-KFWWJZLASA-N 2 1 275.396 0.494 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049392187 852257225 /nfs/dbraw/zinc/25/72/25/852257225.db2.gz VVDONHDEEFFCGR-RBSFLKMASA-N 2 1 293.411 0.568 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052872200 852664672 /nfs/dbraw/zinc/66/46/72/852664672.db2.gz YCXFYGSEYRWFFH-AWEZNQCLSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001054240115 852896625 /nfs/dbraw/zinc/89/66/25/852896625.db2.gz MRNMONSFOHEUDH-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054240115 852896629 /nfs/dbraw/zinc/89/66/29/852896629.db2.gz MRNMONSFOHEUDH-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054240115 852896634 /nfs/dbraw/zinc/89/66/34/852896634.db2.gz MRNMONSFOHEUDH-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001000800438 853251243 /nfs/dbraw/zinc/25/12/43/853251243.db2.gz LACWHIGGRHOUJZ-ZBFHGGJFSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001050664011 853409675 /nfs/dbraw/zinc/40/96/75/853409675.db2.gz JUKULNUDMVPOLK-GJZGRUSLSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001050756274 853424421 /nfs/dbraw/zinc/42/44/21/853424421.db2.gz UYMRKGOPTFXNRS-UHFFFAOYSA-N 2 1 286.379 0.749 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052275481 853720328 /nfs/dbraw/zinc/72/03/28/853720328.db2.gz MMMAYPLMHYUTMH-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052275481 853720333 /nfs/dbraw/zinc/72/03/33/853720333.db2.gz MMMAYPLMHYUTMH-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052275481 853720338 /nfs/dbraw/zinc/72/03/38/853720338.db2.gz MMMAYPLMHYUTMH-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052275481 853720341 /nfs/dbraw/zinc/72/03/41/853720341.db2.gz MMMAYPLMHYUTMH-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072835618 854476170 /nfs/dbraw/zinc/47/61/70/854476170.db2.gz OOPWHQSLUQJFGQ-AWEZNQCLSA-N 2 1 277.412 0.740 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849343 854479927 /nfs/dbraw/zinc/47/99/27/854479927.db2.gz ATVSWVKITJUWHU-ZIAGYGMSSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849343 854479932 /nfs/dbraw/zinc/47/99/32/854479932.db2.gz ATVSWVKITJUWHU-ZIAGYGMSSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849343 854479937 /nfs/dbraw/zinc/47/99/37/854479937.db2.gz ATVSWVKITJUWHU-ZIAGYGMSSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849343 854479941 /nfs/dbraw/zinc/47/99/41/854479941.db2.gz ATVSWVKITJUWHU-ZIAGYGMSSA-N 2 1 293.411 0.426 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073426188 854557226 /nfs/dbraw/zinc/55/72/26/854557226.db2.gz TYDQMKOUNZBCCC-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001073426188 854557232 /nfs/dbraw/zinc/55/72/32/854557232.db2.gz TYDQMKOUNZBCCC-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426188 854557237 /nfs/dbraw/zinc/55/72/37/854557237.db2.gz TYDQMKOUNZBCCC-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073429494 854558331 /nfs/dbraw/zinc/55/83/31/854558331.db2.gz DQKDOSCADPQAAF-UHFFFAOYSA-N 2 1 263.385 0.803 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661698 854627298 /nfs/dbraw/zinc/62/72/98/854627298.db2.gz BUAHTHVOMGGSAY-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001073661698 854627294 /nfs/dbraw/zinc/62/72/94/854627294.db2.gz BUAHTHVOMGGSAY-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661698 854627302 /nfs/dbraw/zinc/62/73/02/854627302.db2.gz BUAHTHVOMGGSAY-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001098393806 854861240 /nfs/dbraw/zinc/86/12/40/854861240.db2.gz DEAIBDWAURDKLW-TUVASFSCSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001098393806 854861255 /nfs/dbraw/zinc/86/12/55/854861255.db2.gz DEAIBDWAURDKLW-TUVASFSCSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001098393806 854861265 /nfs/dbraw/zinc/86/12/65/854861265.db2.gz DEAIBDWAURDKLW-TUVASFSCSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001098843567 854892986 /nfs/dbraw/zinc/89/29/86/854892986.db2.gz FTSNRSNGUMOHNF-DLTWYDFYSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001098843567 854892992 /nfs/dbraw/zinc/89/29/92/854892992.db2.gz FTSNRSNGUMOHNF-DLTWYDFYSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001098843567 854893000 /nfs/dbraw/zinc/89/30/00/854893000.db2.gz FTSNRSNGUMOHNF-DLTWYDFYSA-N 2 1 289.423 0.931 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099989663 855063834 /nfs/dbraw/zinc/06/38/34/855063834.db2.gz TUTBUGCKVVKBJJ-STQMWFEESA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100083106 855098193 /nfs/dbraw/zinc/09/81/93/855098193.db2.gz NGERIRQMMUASHM-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100083106 855098200 /nfs/dbraw/zinc/09/82/00/855098200.db2.gz NGERIRQMMUASHM-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100083106 855098205 /nfs/dbraw/zinc/09/82/05/855098205.db2.gz NGERIRQMMUASHM-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001100674109 855207291 /nfs/dbraw/zinc/20/72/91/855207291.db2.gz MRPNUVMMDPJNNT-HSBZDZAISA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102312677 855427311 /nfs/dbraw/zinc/42/73/11/855427311.db2.gz IGTKZWJVAPIBBD-CHWSQXEVSA-N 2 1 251.374 0.255 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102782003 855470587 /nfs/dbraw/zinc/47/05/87/855470587.db2.gz GAFVQGXONKKTCH-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102782003 855470592 /nfs/dbraw/zinc/47/05/92/855470592.db2.gz GAFVQGXONKKTCH-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102782003 855470595 /nfs/dbraw/zinc/47/05/95/855470595.db2.gz GAFVQGXONKKTCH-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C[C@H]1C[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC[N@H+]1C ZINC001119439745 856686452 /nfs/dbraw/zinc/68/64/52/856686452.db2.gz WNCMIFLEQHNLRQ-STQMWFEESA-N 2 1 278.400 0.821 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001324648600 912958300 /nfs/dbraw/zinc/95/83/00/912958300.db2.gz WAASZVRDZNWNRY-ZFWWWQNUSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001325102116 913216822 /nfs/dbraw/zinc/21/68/22/913216822.db2.gz LGJRKNPXRKLUCW-HNNXBMFYSA-N 2 1 293.411 0.047 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001325161804 913250355 /nfs/dbraw/zinc/25/03/55/913250355.db2.gz QBLKUVPULREDJB-MRXNPFEDSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001325832114 913600391 /nfs/dbraw/zinc/60/03/91/913600391.db2.gz BBJBJSXWYLWVDO-FMKPAKJESA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325832114 913600399 /nfs/dbraw/zinc/60/03/99/913600399.db2.gz BBJBJSXWYLWVDO-FMKPAKJESA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325832114 913600413 /nfs/dbraw/zinc/60/04/13/913600413.db2.gz BBJBJSXWYLWVDO-FMKPAKJESA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001325866327 913620199 /nfs/dbraw/zinc/62/01/99/913620199.db2.gz VPNICYIFQCFSDU-GDBMZVCRSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001325866327 913620206 /nfs/dbraw/zinc/62/02/06/913620206.db2.gz VPNICYIFQCFSDU-GDBMZVCRSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001325866327 913620219 /nfs/dbraw/zinc/62/02/19/913620219.db2.gz VPNICYIFQCFSDU-GDBMZVCRSA-N 2 1 295.427 0.457 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001481096985 892160994 /nfs/dbraw/zinc/16/09/94/892160994.db2.gz WPYWSFFWZYPIAQ-UONOGXRCSA-N 2 1 283.391 0.738 20 30 CCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001283797100 892420825 /nfs/dbraw/zinc/42/08/25/892420825.db2.gz LZHNYWIIUFKNDJ-GJZGRUSLSA-N 2 1 297.443 0.751 20 30 CCEDMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001481492423 892740353 /nfs/dbraw/zinc/74/03/53/892740353.db2.gz LJEMYALDIHXYSY-OAHLLOKOSA-N 2 1 288.395 0.995 20 30 CCEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001481492423 892740362 /nfs/dbraw/zinc/74/03/62/892740362.db2.gz LJEMYALDIHXYSY-OAHLLOKOSA-N 2 1 288.395 0.995 20 30 CCEDMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001500347405 893780601 /nfs/dbraw/zinc/78/06/01/893780601.db2.gz FNVFRGQGSXCCGM-IIAWOOMASA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001482847347 894647739 /nfs/dbraw/zinc/64/77/39/894647739.db2.gz RFBJYGIGBIAGNC-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC001326399470 913934047 /nfs/dbraw/zinc/93/40/47/913934047.db2.gz AKNUKXXLALAUOG-KBPBESRZSA-N 2 1 287.367 0.576 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001483226598 895140941 /nfs/dbraw/zinc/14/09/41/895140941.db2.gz BFFTXFLAZLZSRR-KBPBESRZSA-N 2 1 265.401 0.977 20 30 CCEDMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001483322955 895450974 /nfs/dbraw/zinc/45/09/74/895450974.db2.gz HBKHMZKQAOODCS-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001483322955 895450980 /nfs/dbraw/zinc/45/09/80/895450980.db2.gz HBKHMZKQAOODCS-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483322955 895450990 /nfs/dbraw/zinc/45/09/90/895450990.db2.gz HBKHMZKQAOODCS-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483322955 895450996 /nfs/dbraw/zinc/45/09/96/895450996.db2.gz HBKHMZKQAOODCS-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001483484171 895603026 /nfs/dbraw/zinc/60/30/26/895603026.db2.gz KIVDTCSBAMOUPC-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001483959386 896132116 /nfs/dbraw/zinc/13/21/16/896132116.db2.gz SGEGSVHHIATSBP-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001484247809 896286012 /nfs/dbraw/zinc/28/60/12/896286012.db2.gz JASSGKONZWQFNU-MRXNPFEDSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001484355029 896353880 /nfs/dbraw/zinc/35/38/80/896353880.db2.gz NVWOGWQSGSHEGX-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCN1CCOCC1 ZINC001485074233 896756403 /nfs/dbraw/zinc/75/64/03/896756403.db2.gz UYFIWMZFYXPGKJ-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001485074233 896756411 /nfs/dbraw/zinc/75/64/11/896756411.db2.gz UYFIWMZFYXPGKJ-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485471181 897065104 /nfs/dbraw/zinc/06/51/04/897065104.db2.gz DLJPJKFOTFBSEB-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)Cc2cnc[nH]2)C1 ZINC001485523827 897103332 /nfs/dbraw/zinc/10/33/32/897103332.db2.gz MZBUWSHYAKDOJS-NSHDSACASA-N 2 1 262.357 0.965 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032407481 897474980 /nfs/dbraw/zinc/47/49/80/897474980.db2.gz FOSADGPTMHRNFX-KKUMJFAQSA-N 2 1 275.396 0.799 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032407481 897474985 /nfs/dbraw/zinc/47/49/85/897474985.db2.gz FOSADGPTMHRNFX-KKUMJFAQSA-N 2 1 275.396 0.799 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212424520 897955025 /nfs/dbraw/zinc/95/50/25/897955025.db2.gz PFQUUYAELHBJIX-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212424520 897955034 /nfs/dbraw/zinc/95/50/34/897955034.db2.gz PFQUUYAELHBJIX-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212424520 897955042 /nfs/dbraw/zinc/95/50/42/897955042.db2.gz PFQUUYAELHBJIX-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212424520 897955053 /nfs/dbraw/zinc/95/50/53/897955053.db2.gz PFQUUYAELHBJIX-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436666 898213851 /nfs/dbraw/zinc/21/38/51/898213851.db2.gz CLMWMSMRIDRTII-KFWWJZLASA-N 2 1 297.443 0.964 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436666 898213863 /nfs/dbraw/zinc/21/38/63/898213863.db2.gz CLMWMSMRIDRTII-KFWWJZLASA-N 2 1 297.443 0.964 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001327033590 914325350 /nfs/dbraw/zinc/32/53/50/914325350.db2.gz DBXCXLKLMYKPJW-CQSZACIVSA-N 2 1 297.443 0.967 20 30 CCEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001327404131 902153289 /nfs/dbraw/zinc/15/32/89/902153289.db2.gz FHTOYMMLGKBHOS-AWEZNQCLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001045385023 902685276 /nfs/dbraw/zinc/68/52/76/902685276.db2.gz AFHSKZGZHMFSRV-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001491178897 903423682 /nfs/dbraw/zinc/42/36/82/903423682.db2.gz HKWNKUSHJREADW-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001491370727 903511597 /nfs/dbraw/zinc/51/15/97/903511597.db2.gz XVWJLFREEPYWKO-WLYUNCDWSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064256 903832601 /nfs/dbraw/zinc/83/26/01/903832601.db2.gz LOQMGGJDCPOPIG-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001280620137 904128404 /nfs/dbraw/zinc/12/84/04/904128404.db2.gz KPKXWPAABUENRU-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282637718 904513583 /nfs/dbraw/zinc/51/35/83/904513583.db2.gz BDDUFALQKISALD-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282637718 904513596 /nfs/dbraw/zinc/51/35/96/904513596.db2.gz BDDUFALQKISALD-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001283261248 904780862 /nfs/dbraw/zinc/78/08/62/904780862.db2.gz QUDQKSDKZJTKCI-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001283261249 904782604 /nfs/dbraw/zinc/78/26/04/904782604.db2.gz QUDQKSDKZJTKCI-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283715651 904971829 /nfs/dbraw/zinc/97/18/29/904971829.db2.gz VCGUZIWSSHZKET-UONOGXRCSA-N 2 1 283.416 0.577 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001283714667 904972489 /nfs/dbraw/zinc/97/24/89/904972489.db2.gz OUAWKHHZGNWQPJ-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001283714667 904972499 /nfs/dbraw/zinc/97/24/99/904972499.db2.gz OUAWKHHZGNWQPJ-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001284016191 905116915 /nfs/dbraw/zinc/11/69/15/905116915.db2.gz XHJVDMRXSVZRJI-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001284520644 905355225 /nfs/dbraw/zinc/35/52/25/905355225.db2.gz WAUCISUZSXNAAF-CQSZACIVSA-N 2 1 285.432 0.654 20 30 CCEDMP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001284520644 905355248 /nfs/dbraw/zinc/35/52/48/905355248.db2.gz WAUCISUZSXNAAF-CQSZACIVSA-N 2 1 285.432 0.654 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001284520644 905355261 /nfs/dbraw/zinc/35/52/61/905355261.db2.gz WAUCISUZSXNAAF-CQSZACIVSA-N 2 1 285.432 0.654 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C(C)(C)C ZINC001284654374 905410055 /nfs/dbraw/zinc/41/00/55/905410055.db2.gz YSDYIQQHODHHIO-ZDUSSCGKSA-N 2 1 276.384 0.945 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001491849604 907605108 /nfs/dbraw/zinc/60/51/08/907605108.db2.gz JACPREOIKFRBAM-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317297023 908048789 /nfs/dbraw/zinc/04/87/89/908048789.db2.gz LWRMKHWNSZGMBD-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317297023 908048799 /nfs/dbraw/zinc/04/87/99/908048799.db2.gz LWRMKHWNSZGMBD-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001316865550 908561678 /nfs/dbraw/zinc/56/16/78/908561678.db2.gz MFNQPRRLMCIIPD-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001316865550 908561686 /nfs/dbraw/zinc/56/16/86/908561686.db2.gz MFNQPRRLMCIIPD-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001316865550 908561698 /nfs/dbraw/zinc/56/16/98/908561698.db2.gz MFNQPRRLMCIIPD-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317010306 908915274 /nfs/dbraw/zinc/91/52/74/908915274.db2.gz DMYQJJSTKVWRLH-GJZGRUSLSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317010306 908915261 /nfs/dbraw/zinc/91/52/61/908915261.db2.gz DMYQJJSTKVWRLH-GJZGRUSLSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001317033520 908931780 /nfs/dbraw/zinc/93/17/80/908931780.db2.gz HWJXTBWLVLYYSE-ZIAGYGMSSA-N 2 1 263.385 0.446 20 30 CCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317088000 908972002 /nfs/dbraw/zinc/97/20/02/908972002.db2.gz UYUGSUBJFAKGOK-KKUMJFAQSA-N 2 1 293.411 0.357 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001317533538 909301982 /nfs/dbraw/zinc/30/19/82/909301982.db2.gz WIXSZXDWXONXOT-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001317533538 909301997 /nfs/dbraw/zinc/30/19/97/909301997.db2.gz WIXSZXDWXONXOT-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001317533538 909302012 /nfs/dbraw/zinc/30/20/12/909302012.db2.gz WIXSZXDWXONXOT-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001317533537 909305812 /nfs/dbraw/zinc/30/58/12/909305812.db2.gz WIXSZXDWXONXOT-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001317533537 909305826 /nfs/dbraw/zinc/30/58/26/909305826.db2.gz WIXSZXDWXONXOT-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001317533537 909305841 /nfs/dbraw/zinc/30/58/41/909305841.db2.gz WIXSZXDWXONXOT-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH2+]CCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001317644850 909438310 /nfs/dbraw/zinc/43/83/10/909438310.db2.gz CKMOYWCSLUQMPI-UHFFFAOYSA-N 2 1 283.335 0.562 20 30 CCEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001319057232 909970980 /nfs/dbraw/zinc/97/09/80/909970980.db2.gz HJXZWJIJJPIBTH-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001319967316 910376886 /nfs/dbraw/zinc/37/68/86/910376886.db2.gz DSJOUGWENBIQQQ-CYBMUJFWSA-N 2 1 253.390 0.690 20 30 CCEDMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001320642937 910774912 /nfs/dbraw/zinc/77/49/12/910774912.db2.gz CIOUTINYYVPGCK-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001320642937 910774926 /nfs/dbraw/zinc/77/49/26/910774926.db2.gz CIOUTINYYVPGCK-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001330032120 916368466 /nfs/dbraw/zinc/36/84/66/916368466.db2.gz QKUCYNFYCJARCM-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001330230080 916496022 /nfs/dbraw/zinc/49/60/22/916496022.db2.gz LMKZEMYENFIMLM-GFCCVEGCSA-N 2 1 251.374 0.398 20 30 CCEDMP COCC#CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001331469986 917354448 /nfs/dbraw/zinc/35/44/48/917354448.db2.gz LWFRHOAIOYBJIA-CQSZACIVSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001331773705 917597849 /nfs/dbraw/zinc/59/78/49/917597849.db2.gz WGTMJIYTXSXHFF-CHWSQXEVSA-N 2 1 269.389 0.114 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001406291563 919156356 /nfs/dbraw/zinc/15/63/56/919156356.db2.gz AJIGTIPWHDJTOB-NSHDSACASA-N 2 1 277.796 0.146 20 30 CCEDMP C#CC[NH2+]CC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC001340111618 921964019 /nfs/dbraw/zinc/96/40/19/921964019.db2.gz GBMCNMIPSLBICY-UHFFFAOYSA-N 2 1 286.379 0.600 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CCCO)CC1 ZINC001479815615 923612746 /nfs/dbraw/zinc/61/27/46/923612746.db2.gz KQSOQFOVLFGEAB-UHFFFAOYSA-N 2 1 295.427 0.152 20 30 CCEDMP C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C1=CC[N@@H+](C)CC1 ZINC000516922088 260281714 /nfs/dbraw/zinc/28/17/14/260281714.db2.gz IEQNLCBQHWZHKV-UKRRQHHQSA-N 2 1 280.416 0.433 20 30 CCEDMP C[C@@H](CCC#N)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000602544663 362669492 /nfs/dbraw/zinc/66/94/92/362669492.db2.gz JFDJBHMRRGDZFO-HOTGVXAUSA-N 2 1 294.443 0.922 20 30 CCEDMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847334 362834267 /nfs/dbraw/zinc/83/42/67/362834267.db2.gz AITGNAWGYHTAHL-KKUMJFAQSA-N 2 1 282.432 0.606 20 30 CCEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)Cc1ccco1 ZINC000088769323 349372593 /nfs/dbraw/zinc/37/25/93/349372593.db2.gz BHQSBXKLSRDLEY-CYBMUJFWSA-N 2 1 293.415 0.533 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261579809 352561680 /nfs/dbraw/zinc/56/16/80/352561680.db2.gz FAQUETUDEQRFAH-IHRRRGAJSA-N 2 1 263.385 0.856 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176962830 189017359 /nfs/dbraw/zinc/01/73/59/189017359.db2.gz AFQFOEAIMMMHPK-UHFFFAOYSA-N 2 1 292.408 0.873 20 30 CCEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@@H+](C)C1CC1 ZINC000594437109 360306093 /nfs/dbraw/zinc/30/60/93/360306093.db2.gz IAZBDNQIOYRNSC-DGCLKSJQSA-N 2 1 266.389 0.997 20 30 CCEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594448860 360314155 /nfs/dbraw/zinc/31/41/55/360314155.db2.gz XIZOXWSSMONMQT-FQUUOJAGSA-N 2 1 296.415 0.621 20 30 CCEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594448860 360314158 /nfs/dbraw/zinc/31/41/58/360314158.db2.gz XIZOXWSSMONMQT-FQUUOJAGSA-N 2 1 296.415 0.621 20 30 CCEDMP C[NH+]1CCCN(CC#CCN2CCC[N@H+](C)CC2)CC1 ZINC000625063550 368054429 /nfs/dbraw/zinc/05/44/29/368054429.db2.gz RCVAICOZVXMAIA-UHFFFAOYSA-N 2 1 278.444 0.265 20 30 CCEDMP C[C@@H]1C[N@@H+](CCOCCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000339059098 389123401 /nfs/dbraw/zinc/12/34/01/389123401.db2.gz FRCAXUUIXOPQTJ-CVEARBPZSA-N 2 1 294.443 0.874 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000133407956 389235415 /nfs/dbraw/zinc/23/54/15/389235415.db2.gz YSGMRFVWVRPCQP-ZDUSSCGKSA-N 2 1 266.389 0.632 20 30 CCEDMP C#CCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000366903957 389312710 /nfs/dbraw/zinc/31/27/10/389312710.db2.gz QZXSRDBVGHHZHJ-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N(C)Cc1ccon1 ZINC000261725249 389275141 /nfs/dbraw/zinc/27/51/41/389275141.db2.gz IVTIKEREUJPGJS-JTQLQIEISA-N 2 1 253.350 0.632 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCO[C@@H](COC)C1 ZINC000261833685 389276953 /nfs/dbraw/zinc/27/69/53/389276953.db2.gz JGQSWLIBRSTMMH-CYBMUJFWSA-N 2 1 295.387 0.114 20 30 CCEDMP C[NH+]=C(NCc1nccn1C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261995953 389279841 /nfs/dbraw/zinc/27/98/41/389279841.db2.gz SITGTHYLYJYCSU-STQMWFEESA-N 2 1 292.431 0.814 20 30 CCEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)NC1CC1 ZINC000262196124 389283298 /nfs/dbraw/zinc/28/32/98/389283298.db2.gz HOAJLMMRSRMFEU-HNNXBMFYSA-N 2 1 288.395 0.820 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420393128 389996193 /nfs/dbraw/zinc/99/61/93/389996193.db2.gz JNOFMNOFBDENIR-OLZOCXBDSA-N 2 1 251.374 0.753 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420393128 389996194 /nfs/dbraw/zinc/99/61/94/389996194.db2.gz JNOFMNOFBDENIR-OLZOCXBDSA-N 2 1 251.374 0.753 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000491454573 390113619 /nfs/dbraw/zinc/11/36/19/390113619.db2.gz ZUYWPLKCHJXHBL-JYJNAYRXSA-N 2 1 297.443 0.001 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000491454573 390113620 /nfs/dbraw/zinc/11/36/20/390113620.db2.gz ZUYWPLKCHJXHBL-JYJNAYRXSA-N 2 1 297.443 0.001 20 30 CCEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000564098694 390494729 /nfs/dbraw/zinc/49/47/29/390494729.db2.gz WRRVYYMNXNCWNB-MJBXVCDLSA-N 2 1 272.389 0.249 20 30 CCEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000564098694 390494731 /nfs/dbraw/zinc/49/47/31/390494731.db2.gz WRRVYYMNXNCWNB-MJBXVCDLSA-N 2 1 272.389 0.249 20 30 CCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000564845530 390497212 /nfs/dbraw/zinc/49/72/12/390497212.db2.gz UHIAMNQKRXWXIU-HIFRSBDPSA-N 2 1 280.416 0.267 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000567689791 390710498 /nfs/dbraw/zinc/71/04/98/390710498.db2.gz QWSBIEKCDOWSTC-WTXIUTQJSA-N 2 1 294.443 0.798 20 30 CCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000577947808 390853371 /nfs/dbraw/zinc/85/33/71/390853371.db2.gz CRVGPGQIOAXPSA-GPANFISMSA-N 2 1 294.443 0.799 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150523 411694300 /nfs/dbraw/zinc/69/43/00/411694300.db2.gz WOOMOXGNZIXACK-UHFFFAOYSA-N 2 1 280.416 0.024 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150523 411694307 /nfs/dbraw/zinc/69/43/07/411694307.db2.gz WOOMOXGNZIXACK-UHFFFAOYSA-N 2 1 280.416 0.024 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346911 412033324 /nfs/dbraw/zinc/03/33/24/412033324.db2.gz LGPPFDPTKBADHJ-XQLPTFJDSA-N 2 1 295.427 0.895 20 30 CCEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)NCC1CCC1 ZINC000187855916 260062110 /nfs/dbraw/zinc/06/21/10/260062110.db2.gz XKFWWTCGQOPLPQ-UHFFFAOYSA-N 2 1 254.378 0.413 20 30 CCEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)NCC1CCC1 ZINC000187855916 260062112 /nfs/dbraw/zinc/06/21/12/260062112.db2.gz XKFWWTCGQOPLPQ-UHFFFAOYSA-N 2 1 254.378 0.413 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000407982468 260147467 /nfs/dbraw/zinc/14/74/67/260147467.db2.gz HACGVXXHFGAEQD-UHFFFAOYSA-N 2 1 278.400 0.776 20 30 CCEDMP C[C@H]1C[NH+]=C(NCc2ccccc2C[NH+]2CCOCC2)N1 ZINC000262200945 262764221 /nfs/dbraw/zinc/76/42/21/262764221.db2.gz AUKTVNXGOLFWJV-ZDUSSCGKSA-N 2 1 288.395 0.956 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131692525 264376085 /nfs/dbraw/zinc/37/60/85/264376085.db2.gz VALOHVZGGOGFHD-OLZOCXBDSA-N 2 1 251.374 0.856 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131692525 264376087 /nfs/dbraw/zinc/37/60/87/264376087.db2.gz VALOHVZGGOGFHD-OLZOCXBDSA-N 2 1 251.374 0.856 20 30 CCEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000362632910 267027227 /nfs/dbraw/zinc/02/72/27/267027227.db2.gz GYAFATGXAYFRPQ-KGLIPLIRSA-N 2 1 280.416 0.878 20 30 CCEDMP C#CCNC(=[NH+]CC)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179083700 329204057 /nfs/dbraw/zinc/20/40/57/329204057.db2.gz UYPKIODSFOXWIW-CQSZACIVSA-N 2 1 278.400 0.239 20 30 CCEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262481658 330016553 /nfs/dbraw/zinc/01/65/53/330016553.db2.gz RRKIYUFHGBVVGN-OLZOCXBDSA-N 2 1 268.405 0.754 20 30 CCEDMP C[NH+]=C(NC[C@H]1CCCO1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262581295 330022187 /nfs/dbraw/zinc/02/21/87/330022187.db2.gz QOCSEMRCDNIRDG-GXTWGEPZSA-N 2 1 280.416 0.815 20 30 CCEDMP C[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262820715 330034017 /nfs/dbraw/zinc/03/40/17/330034017.db2.gz YDJWWMHHMIFBNU-NWDGAFQWSA-N 2 1 280.416 0.692 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnc(C)o1 ZINC000263025673 330039231 /nfs/dbraw/zinc/03/92/31/330039231.db2.gz ANUIKHORFWOMEE-NSHDSACASA-N 2 1 265.361 0.872 20 30 CCEDMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424129642 330260037 /nfs/dbraw/zinc/26/00/37/330260037.db2.gz GJJPAGMKYKCLHH-STQMWFEESA-N 2 1 266.389 0.856 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000424135345 330269600 /nfs/dbraw/zinc/26/96/00/330269600.db2.gz OZMPCIZTDTVFOY-ZDUSSCGKSA-N 2 1 264.373 0.562 20 30 CCEDMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424175485 330315625 /nfs/dbraw/zinc/31/56/25/330315625.db2.gz QOVVEJPADPAMJG-GFCCVEGCSA-N 2 1 252.362 0.560 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000491067065 332144368 /nfs/dbraw/zinc/14/43/68/332144368.db2.gz GFNWNPXGVIHOBQ-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000491067895 332144655 /nfs/dbraw/zinc/14/46/55/332144655.db2.gz LCIWYTXFJWLMKZ-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000491067895 332144656 /nfs/dbraw/zinc/14/46/56/332144656.db2.gz LCIWYTXFJWLMKZ-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000491067895 332144657 /nfs/dbraw/zinc/14/46/57/332144657.db2.gz LCIWYTXFJWLMKZ-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000491381526 332201203 /nfs/dbraw/zinc/20/12/03/332201203.db2.gz FXRTYGAVXVYTMK-ZIAGYGMSSA-N 2 1 278.400 0.192 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000491652797 332265523 /nfs/dbraw/zinc/26/55/23/332265523.db2.gz AZVPMXOGQRPZEO-CHWSQXEVSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000491675576 332281119 /nfs/dbraw/zinc/28/11/19/332281119.db2.gz MDJPANVLBUDBDZ-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC000491803935 332357968 /nfs/dbraw/zinc/35/79/68/332357968.db2.gz JXMLFTPYHQFOHS-UHFFFAOYSA-N 2 1 263.385 0.686 20 30 CCEDMP C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C1=CC[N@@H+](C)CC1 ZINC000516922086 333086530 /nfs/dbraw/zinc/08/65/30/333086530.db2.gz IEQNLCBQHWZHKV-DZGCQCFKSA-N 2 1 280.416 0.433 20 30 CCEDMP CC(C)OCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000305795408 649874835 /nfs/dbraw/zinc/87/48/35/649874835.db2.gz AAJVAKLRAWAIRE-UHFFFAOYSA-N 2 1 272.393 0.038 20 30 CCEDMP CO[C@@H](C)C[NH+](C)CC#CC[N@H+](C)C[C@H](C)OC ZINC000796641727 581447068 /nfs/dbraw/zinc/44/70/68/581447068.db2.gz YYLOKZJRLHWKJG-KBPBESRZSA-N 2 1 256.390 0.923 20 30 CCEDMP C#CCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000766905383 581586170 /nfs/dbraw/zinc/58/61/70/581586170.db2.gz LDEAAPUZYCRFAZ-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000766905383 581586172 /nfs/dbraw/zinc/58/61/72/581586172.db2.gz LDEAAPUZYCRFAZ-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000730278532 581689850 /nfs/dbraw/zinc/68/98/50/581689850.db2.gz SWZSRMVBDCPOJF-KKUMJFAQSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000730278532 581689851 /nfs/dbraw/zinc/68/98/51/581689851.db2.gz SWZSRMVBDCPOJF-KKUMJFAQSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000730278532 581689854 /nfs/dbraw/zinc/68/98/54/581689854.db2.gz SWZSRMVBDCPOJF-KKUMJFAQSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000730278532 581689855 /nfs/dbraw/zinc/68/98/55/581689855.db2.gz SWZSRMVBDCPOJF-KKUMJFAQSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762567900 581951016 /nfs/dbraw/zinc/95/10/16/581951016.db2.gz HLZMLENAYRYFGU-INIZCTEOSA-N 2 1 274.364 0.855 20 30 CCEDMP C#CCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000762567900 581951018 /nfs/dbraw/zinc/95/10/18/581951018.db2.gz HLZMLENAYRYFGU-INIZCTEOSA-N 2 1 274.364 0.855 20 30 CCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743340 612947635 /nfs/dbraw/zinc/94/76/35/612947635.db2.gz DJTSKLJHSURNIW-CQSZACIVSA-N 2 1 286.379 0.732 20 30 CCEDMP C#CC[C@H](CCOC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000863589334 613052577 /nfs/dbraw/zinc/05/25/77/613052577.db2.gz MUILQKAVRKGOHC-TZMCWYRMSA-N 2 1 254.374 0.460 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972734165 613090527 /nfs/dbraw/zinc/09/05/27/613090527.db2.gz WLTYHWCZYVVFOT-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972734165 613090528 /nfs/dbraw/zinc/09/05/28/613090528.db2.gz WLTYHWCZYVVFOT-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972734165 613090529 /nfs/dbraw/zinc/09/05/29/613090529.db2.gz WLTYHWCZYVVFOT-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCCN1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900472866 613009259 /nfs/dbraw/zinc/00/92/59/613009259.db2.gz ATPFIZIUTMJCKH-INIZCTEOSA-N 2 1 293.411 0.001 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900472866 613009260 /nfs/dbraw/zinc/00/92/60/613009260.db2.gz ATPFIZIUTMJCKH-INIZCTEOSA-N 2 1 293.411 0.001 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900472866 613009261 /nfs/dbraw/zinc/00/92/61/613009261.db2.gz ATPFIZIUTMJCKH-INIZCTEOSA-N 2 1 293.411 0.001 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978677466 613041333 /nfs/dbraw/zinc/04/13/33/613041333.db2.gz LXZLMRLBQGZIBE-PHZGNYQRSA-N 2 1 289.423 0.646 20 30 CCEDMP C#CC[C@H](CCOC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000863589334 613052575 /nfs/dbraw/zinc/05/25/75/613052575.db2.gz MUILQKAVRKGOHC-TZMCWYRMSA-N 2 1 254.374 0.460 20 30 CCEDMP C#CCN(C(=O)NC[C@@H]1CC[N@@H+]1CC)C1CC[NH+](C)CC1 ZINC000924023423 613067327 /nfs/dbraw/zinc/06/73/27/613067327.db2.gz XOVMXWUZDGOBKP-HNNXBMFYSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000818588893 613077474 /nfs/dbraw/zinc/07/74/74/613077474.db2.gz ITJSQUQOSFXQHZ-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000818588893 613077476 /nfs/dbraw/zinc/07/74/76/613077476.db2.gz ITJSQUQOSFXQHZ-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000818588893 613077478 /nfs/dbraw/zinc/07/74/78/613077478.db2.gz ITJSQUQOSFXQHZ-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000971682207 613084266 /nfs/dbraw/zinc/08/42/66/613084266.db2.gz MBNBLLQOZZCUBE-ZIAGYGMSSA-N 2 1 286.379 0.926 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000971682207 613084267 /nfs/dbraw/zinc/08/42/67/613084267.db2.gz MBNBLLQOZZCUBE-ZIAGYGMSSA-N 2 1 286.379 0.926 20 30 CCEDMP C#C[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000839565191 613099739 /nfs/dbraw/zinc/09/97/39/613099739.db2.gz VJZHBAUOTBUECP-HUUCEWRRSA-N 2 1 293.411 0.357 20 30 CCEDMP C#C[C@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000820080980 613113801 /nfs/dbraw/zinc/11/38/01/613113801.db2.gz QTRANTNLGJLNQQ-KBPBESRZSA-N 2 1 282.432 0.922 20 30 CCEDMP C#C[C@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000820080980 613113802 /nfs/dbraw/zinc/11/38/02/613113802.db2.gz QTRANTNLGJLNQQ-KBPBESRZSA-N 2 1 282.432 0.922 20 30 CCEDMP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969660013 613117359 /nfs/dbraw/zinc/11/73/59/613117359.db2.gz MFTLDRJSDSAGNF-UKRRQHHQSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969660013 613117365 /nfs/dbraw/zinc/11/73/65/613117365.db2.gz MFTLDRJSDSAGNF-UKRRQHHQSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000970926717 613131496 /nfs/dbraw/zinc/13/14/96/613131496.db2.gz WVSRGTPZOBHKHN-CQSZACIVSA-N 2 1 287.407 0.401 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000928654716 613136915 /nfs/dbraw/zinc/13/69/15/613136915.db2.gz AOTKUFGEVUBMTE-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981981956 613140381 /nfs/dbraw/zinc/14/03/81/613140381.db2.gz AKVCUNGCOFPMHG-UHFFFAOYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000923567876 613165733 /nfs/dbraw/zinc/16/57/33/613165733.db2.gz WTESWPPKKOFQKO-KGLIPLIRSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000923567876 613165735 /nfs/dbraw/zinc/16/57/35/613165735.db2.gz WTESWPPKKOFQKO-KGLIPLIRSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)[C@H]2CCSC2)C1 ZINC000923567876 613165736 /nfs/dbraw/zinc/16/57/36/613165736.db2.gz WTESWPPKKOFQKO-KGLIPLIRSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)[C@H]2CCSC2)C1 ZINC000923567876 613165738 /nfs/dbraw/zinc/16/57/38/613165738.db2.gz WTESWPPKKOFQKO-KGLIPLIRSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000923554623 613173253 /nfs/dbraw/zinc/17/32/53/613173253.db2.gz PUFFOPSDUOBWCK-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000923554623 613173255 /nfs/dbraw/zinc/17/32/55/613173255.db2.gz PUFFOPSDUOBWCK-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000923554623 613173256 /nfs/dbraw/zinc/17/32/56/613173256.db2.gz PUFFOPSDUOBWCK-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000923554623 613173258 /nfs/dbraw/zinc/17/32/58/613173258.db2.gz PUFFOPSDUOBWCK-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000923578364 613180875 /nfs/dbraw/zinc/18/08/75/613180875.db2.gz YTPIRLYLVFRUMR-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000923578364 613180876 /nfs/dbraw/zinc/18/08/76/613180876.db2.gz YTPIRLYLVFRUMR-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC000960836207 613320071 /nfs/dbraw/zinc/32/00/71/613320071.db2.gz JBHNIQNRGDTRRY-FICVDOATSA-N 2 1 280.331 0.628 20 30 CCEDMP C=C(C)[C@@H](CO)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000929980859 613360286 /nfs/dbraw/zinc/36/02/86/613360286.db2.gz LCLBBDMNUOLWSE-HUUCEWRRSA-N 2 1 267.417 0.635 20 30 CCEDMP C=C(C)[C@@H](CO)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000929980859 613360287 /nfs/dbraw/zinc/36/02/87/613360287.db2.gz LCLBBDMNUOLWSE-HUUCEWRRSA-N 2 1 267.417 0.635 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912896802 613364778 /nfs/dbraw/zinc/36/47/78/613364778.db2.gz GHMCTJSOWARDNK-UHFFFAOYSA-N 2 1 297.399 0.059 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912896802 613364779 /nfs/dbraw/zinc/36/47/79/613364779.db2.gz GHMCTJSOWARDNK-UHFFFAOYSA-N 2 1 297.399 0.059 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856254795 613365964 /nfs/dbraw/zinc/36/59/64/613365964.db2.gz ZUYZVQSOFPVVGE-AWEZNQCLSA-N 2 1 281.400 0.162 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000854641854 613366073 /nfs/dbraw/zinc/36/60/73/613366073.db2.gz GBTLXCMFPZSRMW-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000827491912 613366086 /nfs/dbraw/zinc/36/60/86/613366086.db2.gz YDGFARLXEZCEBH-CYBMUJFWSA-N 2 1 253.390 0.903 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000890072809 613366445 /nfs/dbraw/zinc/36/64/45/613366445.db2.gz XWYFXIFUISBHAC-UHFFFAOYSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000876750975 613388050 /nfs/dbraw/zinc/38/80/50/613388050.db2.gz KYAHIKYVCQUWJC-VXGBXAGGSA-N 2 1 289.807 0.683 20 30 CCEDMP C=C(Cl)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000881426599 613391183 /nfs/dbraw/zinc/39/11/83/613391183.db2.gz MZGHYTXRSAJLTQ-UHFFFAOYSA-N 2 1 269.780 0.996 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000981440658 613550365 /nfs/dbraw/zinc/55/03/65/613550365.db2.gz ZJDVMXSRYCSDPF-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000981440658 613550366 /nfs/dbraw/zinc/55/03/66/613550366.db2.gz ZJDVMXSRYCSDPF-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000923411844 613591052 /nfs/dbraw/zinc/59/10/52/613591052.db2.gz SNIURNKXDPDVTP-STQMWFEESA-N 2 1 265.361 0.311 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980397927 613615772 /nfs/dbraw/zinc/61/57/72/613615772.db2.gz SQSRQHIBQBTRBS-CHWSQXEVSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980397927 613615774 /nfs/dbraw/zinc/61/57/74/613615774.db2.gz SQSRQHIBQBTRBS-CHWSQXEVSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980397927 613615776 /nfs/dbraw/zinc/61/57/76/613615776.db2.gz SQSRQHIBQBTRBS-CHWSQXEVSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000961583206 613840248 /nfs/dbraw/zinc/84/02/48/613840248.db2.gz SVLRDNCUNZVOPR-BARDWOONSA-N 2 1 293.411 0.328 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000961583206 613840249 /nfs/dbraw/zinc/84/02/49/613840249.db2.gz SVLRDNCUNZVOPR-BARDWOONSA-N 2 1 293.411 0.328 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000961583206 613840251 /nfs/dbraw/zinc/84/02/51/613840251.db2.gz SVLRDNCUNZVOPR-BARDWOONSA-N 2 1 293.411 0.328 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000961583206 613840253 /nfs/dbraw/zinc/84/02/53/613840253.db2.gz SVLRDNCUNZVOPR-BARDWOONSA-N 2 1 293.411 0.328 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155640 613850955 /nfs/dbraw/zinc/85/09/55/613850955.db2.gz XIJHETRKAYJSAJ-GFCCVEGCSA-N 2 1 284.404 0.838 20 30 CCEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485488 615021385 /nfs/dbraw/zinc/02/13/85/615021385.db2.gz KNEKEZCSLBGIIG-UHFFFAOYSA-N 2 1 296.415 0.137 20 30 CCEDMP CC[C@H](C)[N@@H+](C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864848 615668083 /nfs/dbraw/zinc/66/80/83/615668083.db2.gz JTSMLSUKHPIGGZ-ZDUSSCGKSA-N 2 1 265.401 0.836 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)CCCC[NH+]1CCOCC1 ZINC000913518547 615857531 /nfs/dbraw/zinc/85/75/31/615857531.db2.gz UFNFQYIASBEMFT-UHFFFAOYSA-N 2 1 281.400 0.170 20 30 CCEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000852887460 616197658 /nfs/dbraw/zinc/19/76/58/616197658.db2.gz AMGBOQDYIMHKQW-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP COCC[N@H+](CC(=O)NCCC#N)CC1CC[NH+](C)CC1 ZINC000879124394 616978974 /nfs/dbraw/zinc/97/89/74/616978974.db2.gz WJUVLALSVLIKPL-UHFFFAOYSA-N 2 1 296.415 0.306 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001023290695 622984919 /nfs/dbraw/zinc/98/49/19/622984919.db2.gz AGFROWWCGIUNLE-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023290695 622984929 /nfs/dbraw/zinc/98/49/29/622984929.db2.gz AGFROWWCGIUNLE-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023290695 622984939 /nfs/dbraw/zinc/98/49/39/622984939.db2.gz AGFROWWCGIUNLE-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023290695 622984961 /nfs/dbraw/zinc/98/49/61/622984961.db2.gz AGFROWWCGIUNLE-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023290695 622984978 /nfs/dbraw/zinc/98/49/78/622984978.db2.gz AGFROWWCGIUNLE-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023750009 623126599 /nfs/dbraw/zinc/12/65/99/623126599.db2.gz FCGSMJONJOCHFE-CABCVRRESA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023750009 623126603 /nfs/dbraw/zinc/12/66/03/623126603.db2.gz FCGSMJONJOCHFE-CABCVRRESA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023750009 623126607 /nfs/dbraw/zinc/12/66/07/623126607.db2.gz FCGSMJONJOCHFE-CABCVRRESA-N 2 1 277.412 0.790 20 30 CCEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001024375646 623301009 /nfs/dbraw/zinc/30/10/09/623301009.db2.gz UOFQYZIWSUGHQR-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001024375646 623301012 /nfs/dbraw/zinc/30/10/12/623301012.db2.gz UOFQYZIWSUGHQR-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024375646 623301020 /nfs/dbraw/zinc/30/10/20/623301020.db2.gz UOFQYZIWSUGHQR-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024375646 623301028 /nfs/dbraw/zinc/30/10/28/623301028.db2.gz UOFQYZIWSUGHQR-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001019771564 623903364 /nfs/dbraw/zinc/90/33/64/623903364.db2.gz SBRPAGRMNRAUHC-NEPJUHHUSA-N 2 1 271.792 0.881 20 30 CCEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000261875190 624837839 /nfs/dbraw/zinc/83/78/39/624837839.db2.gz PRJJWVMQJAHRCY-NWDGAFQWSA-N 2 1 254.378 0.412 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001027443811 625885571 /nfs/dbraw/zinc/88/55/71/625885571.db2.gz OYBNRZYXNHYZEH-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2ccnc2)C1 ZINC001009719976 625914978 /nfs/dbraw/zinc/91/49/78/625914978.db2.gz ZSBMGEHBZYGMIR-ZDUSSCGKSA-N 2 1 260.341 0.487 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2ccnc2)C1 ZINC001009719976 625914981 /nfs/dbraw/zinc/91/49/81/625914981.db2.gz ZSBMGEHBZYGMIR-ZDUSSCGKSA-N 2 1 260.341 0.487 20 30 CCEDMP N#C[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000903564258 634608678 /nfs/dbraw/zinc/60/86/78/634608678.db2.gz SCNGFCCPLBMFTI-LBPRGKRZSA-N 2 1 250.346 0.044 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001027690862 630855262 /nfs/dbraw/zinc/85/52/62/630855262.db2.gz JVJUUGBSTNVHPO-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001027690862 630855265 /nfs/dbraw/zinc/85/52/65/630855265.db2.gz JVJUUGBSTNVHPO-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001027690862 630855266 /nfs/dbraw/zinc/85/52/66/630855266.db2.gz JVJUUGBSTNVHPO-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001027690862 630855272 /nfs/dbraw/zinc/85/52/72/630855272.db2.gz JVJUUGBSTNVHPO-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001027804802 630932919 /nfs/dbraw/zinc/93/29/19/630932919.db2.gz IGCUIUIBMTYLQL-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027804802 630932924 /nfs/dbraw/zinc/93/29/24/630932924.db2.gz IGCUIUIBMTYLQL-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027804802 630932932 /nfs/dbraw/zinc/93/29/32/630932932.db2.gz IGCUIUIBMTYLQL-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027804802 630932936 /nfs/dbraw/zinc/93/29/36/630932936.db2.gz IGCUIUIBMTYLQL-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@@]1(C)CCCO1 ZINC000261802883 631621113 /nfs/dbraw/zinc/62/11/13/631621113.db2.gz RPDIHDURVXQWJW-GXTWGEPZSA-N 2 1 268.405 0.672 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCOC ZINC000303982769 632502758 /nfs/dbraw/zinc/50/27/58/632502758.db2.gz QPMLJTQAANOIGA-GFCCVEGCSA-N 2 1 254.378 0.578 20 30 CCEDMP C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261979635 633112541 /nfs/dbraw/zinc/11/25/41/633112541.db2.gz ONNZDOOLQZVFGK-DGCLKSJQSA-N 2 1 295.431 0.159 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC000989187677 633167815 /nfs/dbraw/zinc/16/78/15/633167815.db2.gz MZKUFRRXVSEUCE-YPMHNXCESA-N 2 1 262.357 0.957 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009512135 650146545 /nfs/dbraw/zinc/14/65/45/650146545.db2.gz ASCIZBSIHIULQT-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009512135 650146547 /nfs/dbraw/zinc/14/65/47/650146547.db2.gz ASCIZBSIHIULQT-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009512135 650146548 /nfs/dbraw/zinc/14/65/48/650146548.db2.gz ASCIZBSIHIULQT-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010382616 650212897 /nfs/dbraw/zinc/21/28/97/650212897.db2.gz LJMFSRSUBNQDRE-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010382616 650212899 /nfs/dbraw/zinc/21/28/99/650212899.db2.gz LJMFSRSUBNQDRE-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010382616 650212903 /nfs/dbraw/zinc/21/29/03/650212903.db2.gz LJMFSRSUBNQDRE-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010427978 650226052 /nfs/dbraw/zinc/22/60/52/650226052.db2.gz NZGOFPLDAGNZSE-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010427978 650226057 /nfs/dbraw/zinc/22/60/57/650226057.db2.gz NZGOFPLDAGNZSE-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010427978 650226061 /nfs/dbraw/zinc/22/60/61/650226061.db2.gz NZGOFPLDAGNZSE-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010427978 650226065 /nfs/dbraw/zinc/22/60/65/650226065.db2.gz NZGOFPLDAGNZSE-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015793367 638114540 /nfs/dbraw/zinc/11/45/40/638114540.db2.gz UEVOBKQGSFVMBT-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995828460 638802263 /nfs/dbraw/zinc/80/22/63/638802263.db2.gz YOXRIYIFQRJFBV-MCIONIFRSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000996617543 638824970 /nfs/dbraw/zinc/82/49/70/638824970.db2.gz BQTKWSFQLDUULG-GJZGRUSLSA-N 2 1 291.395 0.063 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000996798300 638833172 /nfs/dbraw/zinc/83/31/72/638833172.db2.gz LDZMNJFMFASRJX-UHFFFAOYSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997009137 638848162 /nfs/dbraw/zinc/84/81/62/638848162.db2.gz OZOWUFXXTZYTDG-JSGCOSHPSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997008932 638848356 /nfs/dbraw/zinc/84/83/56/638848356.db2.gz NFWCVHFKEYNQNB-OCCSQVGLSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997860868 638886378 /nfs/dbraw/zinc/88/63/78/638886378.db2.gz MSKZHDJXCWIHBH-ZFWWWQNUSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998586962 638929107 /nfs/dbraw/zinc/92/91/07/638929107.db2.gz SFMVPQRFOWULOG-BPCQOVAHSA-N 2 1 267.373 0.082 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998586962 638929109 /nfs/dbraw/zinc/92/91/09/638929109.db2.gz SFMVPQRFOWULOG-BPCQOVAHSA-N 2 1 267.373 0.082 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC)C1 ZINC000999391627 638980004 /nfs/dbraw/zinc/98/00/04/638980004.db2.gz MLKOCQFDLFDWHG-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC)C1 ZINC000999391627 638980007 /nfs/dbraw/zinc/98/00/07/638980007.db2.gz MLKOCQFDLFDWHG-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC)CC1 ZINC001000786882 639172846 /nfs/dbraw/zinc/17/28/46/639172846.db2.gz AVTQVYKRJDWTOP-HNNXBMFYSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC)CC1 ZINC001000786882 639172849 /nfs/dbraw/zinc/17/28/49/639172849.db2.gz AVTQVYKRJDWTOP-HNNXBMFYSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC)CC1 ZINC001000786882 639172853 /nfs/dbraw/zinc/17/28/53/639172853.db2.gz AVTQVYKRJDWTOP-HNNXBMFYSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC)CC1 ZINC001000786882 639172857 /nfs/dbraw/zinc/17/28/57/639172857.db2.gz AVTQVYKRJDWTOP-HNNXBMFYSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001113758 639236631 /nfs/dbraw/zinc/23/66/31/639236631.db2.gz SNKHPFOJMGKOGX-UHFFFAOYSA-N 2 1 275.396 0.710 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015598576 650587484 /nfs/dbraw/zinc/58/74/84/650587484.db2.gz ASGWFFZEMCWMCK-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015598576 650587486 /nfs/dbraw/zinc/58/74/86/650587486.db2.gz ASGWFFZEMCWMCK-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015598576 650587487 /nfs/dbraw/zinc/58/74/87/650587487.db2.gz ASGWFFZEMCWMCK-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015598576 650587488 /nfs/dbraw/zinc/58/74/88/650587488.db2.gz ASGWFFZEMCWMCK-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C[C@H]1CC(=NNCCCN2CCOCC2)CC[N@H+]1C ZINC000799486653 640576787 /nfs/dbraw/zinc/57/67/87/640576787.db2.gz JVDXPVYWEXBTJJ-ZDUSSCGKSA-N 2 1 268.405 0.768 20 30 CCEDMP C[C@H]1CC(=NNCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000799486653 640576794 /nfs/dbraw/zinc/57/67/94/640576794.db2.gz JVDXPVYWEXBTJJ-ZDUSSCGKSA-N 2 1 268.405 0.768 20 30 CCEDMP C[C@H]1CC(=NNCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000799486653 640576801 /nfs/dbraw/zinc/57/68/01/640576801.db2.gz JVDXPVYWEXBTJJ-ZDUSSCGKSA-N 2 1 268.405 0.768 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001016009441 650674846 /nfs/dbraw/zinc/67/48/46/650674846.db2.gz SFJCXGWHURITFE-ZDUSSCGKSA-N 2 1 286.379 0.975 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001016009441 650674847 /nfs/dbraw/zinc/67/48/47/650674847.db2.gz SFJCXGWHURITFE-ZDUSSCGKSA-N 2 1 286.379 0.975 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016259348 650708247 /nfs/dbraw/zinc/70/82/47/650708247.db2.gz GMCAGQMNUNKMJE-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016259348 650708249 /nfs/dbraw/zinc/70/82/49/650708249.db2.gz GMCAGQMNUNKMJE-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#CC)C2)CC1 ZINC001016333640 650720059 /nfs/dbraw/zinc/72/00/59/650720059.db2.gz YEYNPKCZVIABPW-MRXNPFEDSA-N 2 1 287.407 0.545 20 30 CCEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016970328 650775116 /nfs/dbraw/zinc/77/51/16/650775116.db2.gz TWMHLQGMCTWHJB-GJZGRUSLSA-N 2 1 289.423 0.932 20 30 CCEDMP C[C@H]1C[N@@H+](CCCNC2=[NH+]CCN2C)CCCO1 ZINC000849022623 643703033 /nfs/dbraw/zinc/70/30/33/643703033.db2.gz NVMDNXHWEMWDRL-LBPRGKRZSA-N 2 1 254.378 0.378 20 30 CCEDMP C[C@@H](C#N)OCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852762900 643997124 /nfs/dbraw/zinc/99/71/24/643997124.db2.gz ZJFMDGHRLJRSLK-UONOGXRCSA-N 2 1 269.389 0.958 20 30 CCEDMP C[C@@H](C#N)OCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852762900 643997128 /nfs/dbraw/zinc/99/71/28/643997128.db2.gz ZJFMDGHRLJRSLK-UONOGXRCSA-N 2 1 269.389 0.958 20 30 CCEDMP C[C@@H](C#N)OCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852762898 643997236 /nfs/dbraw/zinc/99/72/36/643997236.db2.gz ZJFMDGHRLJRSLK-KBPBESRZSA-N 2 1 269.389 0.958 20 30 CCEDMP C[C@@H](C#N)OCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852762898 643997242 /nfs/dbraw/zinc/99/72/42/643997242.db2.gz ZJFMDGHRLJRSLK-KBPBESRZSA-N 2 1 269.389 0.958 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001019274616 650955279 /nfs/dbraw/zinc/95/52/79/650955279.db2.gz IFWNZPGPOYHKGD-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C[C@@H]1CNC(NN=C2CCC[N@@H+]3CCSC[C@@H]23)=[NH+]1 ZINC000872364004 646251726 /nfs/dbraw/zinc/25/17/26/646251726.db2.gz ADEWGMNFLFLASM-KOLCDFICSA-N 2 1 267.402 0.491 20 30 CCEDMP C[C@@H]1CNC(NN=C2CCC[N@H+]3CCSC[C@@H]23)=[NH+]1 ZINC000872364004 646251729 /nfs/dbraw/zinc/25/17/29/646251729.db2.gz ADEWGMNFLFLASM-KOLCDFICSA-N 2 1 267.402 0.491 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCSCC1 ZINC000303709097 649823904 /nfs/dbraw/zinc/82/39/04/649823904.db2.gz NQTIEIQXCKCHPN-LLVKDONJSA-N 2 1 256.419 0.834 20 30 CCEDMP CC(C)OCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303712655 649823954 /nfs/dbraw/zinc/82/39/54/649823954.db2.gz QBFGBVOMGKMWIL-UHFFFAOYSA-N 2 1 286.420 0.428 20 30 CCEDMP CC(C)[C@@H](C[NH+]=C(N(C)C)N(C)C)N1CC[NH+](C)CC1 ZINC000303775269 649824622 /nfs/dbraw/zinc/82/46/22/649824622.db2.gz GQMRSLFBXRYOOP-CQSZACIVSA-N 2 1 283.464 0.738 20 30 CCEDMP CC(C)[C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCN(C)CC1 ZINC000303775269 649824624 /nfs/dbraw/zinc/82/46/24/649824624.db2.gz GQMRSLFBXRYOOP-CQSZACIVSA-N 2 1 283.464 0.738 20 30 CCEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@@H](C)COC)C1 ZINC000303883941 649826102 /nfs/dbraw/zinc/82/61/02/649826102.db2.gz MMDUQZIIJSBYTA-NWDGAFQWSA-N 2 1 256.394 0.658 20 30 CCEDMP CCCCOCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303887100 649826692 /nfs/dbraw/zinc/82/66/92/649826692.db2.gz OEAMMOLZUQTXSW-UHFFFAOYSA-N 2 1 286.420 0.430 20 30 CCEDMP C[C@@H](CNC(=[NH2+])N1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000303907828 649826855 /nfs/dbraw/zinc/82/68/55/649826855.db2.gz XDAHANFDWDVCRW-OLZOCXBDSA-N 2 1 268.405 0.896 20 30 CCEDMP CCN(CC)C(=[NH2+])NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000303968529 649827261 /nfs/dbraw/zinc/82/72/61/649827261.db2.gz ARXWOXSASNNXDH-GFCCVEGCSA-N 2 1 283.420 0.230 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000304013768 649828766 /nfs/dbraw/zinc/82/87/66/649828766.db2.gz CBJXRSKLZTZYNF-OLZOCXBDSA-N 2 1 268.405 0.944 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001266323178 790504917 /nfs/dbraw/zinc/50/49/17/790504917.db2.gz WGDYODQAOFLVFT-UONOGXRCSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CCC[N@@H+](CCC)CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001266579169 790967151 /nfs/dbraw/zinc/96/71/51/790967151.db2.gz HCIUHQNYXHMKQX-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+](CCC)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266579169 790967158 /nfs/dbraw/zinc/96/71/58/790967158.db2.gz HCIUHQNYXHMKQX-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@@H+](CCC)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266579169 790967167 /nfs/dbraw/zinc/96/71/67/790967167.db2.gz HCIUHQNYXHMKQX-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+](CCC)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001266579169 790967174 /nfs/dbraw/zinc/96/71/74/790967174.db2.gz HCIUHQNYXHMKQX-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+](CCC)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001266579169 790967179 /nfs/dbraw/zinc/96/71/79/790967179.db2.gz HCIUHQNYXHMKQX-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266894684 791325076 /nfs/dbraw/zinc/32/50/76/791325076.db2.gz JHSJNXLHRPKBAW-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267129376 791574084 /nfs/dbraw/zinc/57/40/84/791574084.db2.gz OEMIFIZCOPVAGX-RRFJBIMHSA-N 2 1 295.427 0.461 20 30 CCEDMP C=CCC[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267226312 791703905 /nfs/dbraw/zinc/70/39/05/791703905.db2.gz RSJKTQJXHCBKQX-UHFFFAOYSA-N 2 1 251.374 0.706 20 30 CCEDMP CC[N@H+](CC#CCOC)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267251596 793245049 /nfs/dbraw/zinc/24/50/49/793245049.db2.gz LKISJRCMWWZBGT-OAHLLOKOSA-N 2 1 297.443 0.661 20 30 CCEDMP N#Cc1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(F)cc1F ZINC001234986928 806329514 /nfs/dbraw/zinc/32/95/14/806329514.db2.gz CTWIGNPFMZGHTC-HNNXBMFYSA-N 2 1 292.333 0.974 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235354670 806412555 /nfs/dbraw/zinc/41/25/55/806412555.db2.gz MXLNCRFKRIFZSP-GJZGRUSLSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235354670 806412563 /nfs/dbraw/zinc/41/25/63/806412563.db2.gz MXLNCRFKRIFZSP-GJZGRUSLSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235394462 806416442 /nfs/dbraw/zinc/41/64/42/806416442.db2.gz TYBSBKDZPBBSDR-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235394462 806416444 /nfs/dbraw/zinc/41/64/44/806416444.db2.gz TYBSBKDZPBBSDR-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235394462 806416447 /nfs/dbraw/zinc/41/64/47/806416447.db2.gz TYBSBKDZPBBSDR-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235394462 806416450 /nfs/dbraw/zinc/41/64/50/806416450.db2.gz TYBSBKDZPBBSDR-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001278165164 806737247 /nfs/dbraw/zinc/73/72/47/806737247.db2.gz UIVHQAIPBFCWOO-LSDHHAIUSA-N 2 1 295.427 0.339 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001150319099 800329552 /nfs/dbraw/zinc/32/95/52/800329552.db2.gz XWCOZCCXKIWLQH-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001150319099 800329558 /nfs/dbraw/zinc/32/95/58/800329558.db2.gz XWCOZCCXKIWLQH-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001150319099 800329567 /nfs/dbraw/zinc/32/95/67/800329567.db2.gz XWCOZCCXKIWLQH-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001150319099 800329573 /nfs/dbraw/zinc/32/95/73/800329573.db2.gz XWCOZCCXKIWLQH-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715821 800362957 /nfs/dbraw/zinc/36/29/57/800362957.db2.gz MQCDDEYOCRRRLS-HNNXBMFYSA-N 2 1 293.411 0.313 20 30 CCEDMP N#Cc1cnc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)cn1 ZINC001155373058 800961073 /nfs/dbraw/zinc/96/10/73/800961073.db2.gz MDWXWJGRJFLXMZ-ZDUSSCGKSA-N 2 1 272.356 0.208 20 30 CCEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156126057 801115169 /nfs/dbraw/zinc/11/51/69/801115169.db2.gz RJNJLRGEZOBZPT-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156126057 801115172 /nfs/dbraw/zinc/11/51/72/801115172.db2.gz RJNJLRGEZOBZPT-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156201216 801128219 /nfs/dbraw/zinc/12/82/19/801128219.db2.gz YGNNCCRXNMTKNR-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CC ZINC001156201216 801128223 /nfs/dbraw/zinc/12/82/23/801128223.db2.gz YGNNCCRXNMTKNR-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CC ZINC001156201216 801128227 /nfs/dbraw/zinc/12/82/27/801128227.db2.gz YGNNCCRXNMTKNR-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#CC ZINC001160209698 801920407 /nfs/dbraw/zinc/92/04/07/801920407.db2.gz UBFYJCLRURPFPP-AWEZNQCLSA-N 2 1 261.369 0.203 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#CC ZINC001160209698 801920413 /nfs/dbraw/zinc/92/04/13/801920413.db2.gz UBFYJCLRURPFPP-AWEZNQCLSA-N 2 1 261.369 0.203 20 30 CCEDMP COc1cc(C#N)nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c1 ZINC001160512710 801956125 /nfs/dbraw/zinc/95/61/25/801956125.db2.gz DUXPRSJUAJJMQH-OAHLLOKOSA-N 2 1 287.367 0.797 20 30 CCEDMP N#C[C@H]1CCCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160637343 801984820 /nfs/dbraw/zinc/98/48/20/801984820.db2.gz LXQANNVSIIUWIT-GFCCVEGCSA-N 2 1 250.346 0.233 20 30 CCEDMP COc1cc(C#N)nc(NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001161867526 802234785 /nfs/dbraw/zinc/23/47/85/802234785.db2.gz INEXCNIQCNDKIV-UHFFFAOYSA-N 2 1 275.356 0.797 20 30 CCEDMP N#Cc1c[nH]c2nc(NCC[NH+]3CCC([NH3+])CC3)ncc12 ZINC001161871198 802235960 /nfs/dbraw/zinc/23/59/60/802235960.db2.gz WCWKLEUDAGKCQJ-UHFFFAOYSA-N 2 1 285.355 0.665 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001164449236 802743533 /nfs/dbraw/zinc/74/35/33/802743533.db2.gz FKBKVDMHHRXXOE-CQSZACIVSA-N 2 1 265.401 0.838 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166676677 802935262 /nfs/dbraw/zinc/93/52/62/802935262.db2.gz AZULNQHJYHMIRI-AWEZNQCLSA-N 2 1 283.416 0.627 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c([O-])c1 ZINC001205725409 803165592 /nfs/dbraw/zinc/16/55/92/803165592.db2.gz HACGVGJHJNMDLA-HNNXBMFYSA-N 2 1 275.352 0.940 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)c1 ZINC001205725409 803165597 /nfs/dbraw/zinc/16/55/97/803165597.db2.gz HACGVGJHJNMDLA-HNNXBMFYSA-N 2 1 275.352 0.940 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)c1 ZINC001205725409 803165599 /nfs/dbraw/zinc/16/55/99/803165599.db2.gz HACGVGJHJNMDLA-HNNXBMFYSA-N 2 1 275.352 0.940 20 30 CCEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207735200 803444695 /nfs/dbraw/zinc/44/46/95/803444695.db2.gz YONXSQPMSFWRBJ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207735200 803444699 /nfs/dbraw/zinc/44/46/99/803444699.db2.gz YONXSQPMSFWRBJ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209634661 803618843 /nfs/dbraw/zinc/61/88/43/803618843.db2.gz HZIQWODPAVSMDE-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209643497 803620091 /nfs/dbraw/zinc/62/00/91/803620091.db2.gz ZFMBACJEXUMMKD-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP N#Cc1ncc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cn1 ZINC001210262884 803644204 /nfs/dbraw/zinc/64/42/04/803644204.db2.gz SURMKAAUDDZSFO-UHFFFAOYSA-N 2 1 281.323 0.896 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211276416 803675980 /nfs/dbraw/zinc/67/59/80/803675980.db2.gz GGRQIDDYSPKKSL-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540647 803818259 /nfs/dbraw/zinc/81/82/59/803818259.db2.gz PAFOSELXHPOIAX-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219236763 804243456 /nfs/dbraw/zinc/24/34/56/804243456.db2.gz ZZNPKZBDAFJYBH-WBMJQRKESA-N 2 1 286.379 0.903 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815606 804427109 /nfs/dbraw/zinc/42/71/09/804427109.db2.gz APDDFDJYOKIIJI-KGLIPLIRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815606 804427115 /nfs/dbraw/zinc/42/71/15/804427115.db2.gz APDDFDJYOKIIJI-KGLIPLIRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815606 804427121 /nfs/dbraw/zinc/42/71/21/804427121.db2.gz APDDFDJYOKIIJI-KGLIPLIRSA-N 2 1 281.400 0.208 20 30 CCEDMP C#C[C@@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220460162 804608652 /nfs/dbraw/zinc/60/86/52/804608652.db2.gz CAYZZPWLGMYDNY-ZBFHGGJFSA-N 2 1 297.402 0.846 20 30 CCEDMP C#C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220460162 804608655 /nfs/dbraw/zinc/60/86/55/804608655.db2.gz CAYZZPWLGMYDNY-ZBFHGGJFSA-N 2 1 297.402 0.846 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220572565 804627217 /nfs/dbraw/zinc/62/72/17/804627217.db2.gz BDXIENXKIWGQGH-ILXRZTDVSA-N 2 1 297.443 0.700 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220572565 804627224 /nfs/dbraw/zinc/62/72/24/804627224.db2.gz BDXIENXKIWGQGH-ILXRZTDVSA-N 2 1 297.443 0.700 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799068 804670054 /nfs/dbraw/zinc/67/00/54/804670054.db2.gz NGFHUCMJYYYHST-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220868846 804685300 /nfs/dbraw/zinc/68/53/00/804685300.db2.gz WULGUTFIBLZLCP-STQMWFEESA-N 3 1 268.405 0.209 20 30 CCEDMP C=CCN1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220868846 804685304 /nfs/dbraw/zinc/68/53/04/804685304.db2.gz WULGUTFIBLZLCP-STQMWFEESA-N 2 1 268.405 0.209 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001220868377 804685358 /nfs/dbraw/zinc/68/53/58/804685358.db2.gz HPYIEGYZZJUTEH-SHWKFHJASA-N 2 1 295.427 0.631 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221096426 804729880 /nfs/dbraw/zinc/72/98/80/804729880.db2.gz SMANOGWKEXPCQG-QLFBSQMISA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221096426 804729883 /nfs/dbraw/zinc/72/98/83/804729883.db2.gz SMANOGWKEXPCQG-QLFBSQMISA-N 2 1 295.427 0.454 20 30 CCEDMP N#CC1(NC(=O)C[NH2+]C2CC[NH2+]CC2)Cc2ccccc2C1 ZINC001221366335 804788601 /nfs/dbraw/zinc/78/86/01/804788601.db2.gz HDCIDYOFRUUXJE-UHFFFAOYSA-N 2 1 298.390 0.505 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221960817 804857654 /nfs/dbraw/zinc/85/76/54/804857654.db2.gz JEMMOWHZISHBGG-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221960817 804857663 /nfs/dbraw/zinc/85/76/63/804857663.db2.gz JEMMOWHZISHBGG-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222049467 804862165 /nfs/dbraw/zinc/86/21/65/804862165.db2.gz CBJMRRSZAWBDHU-ZIAGYGMSSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222049467 804862173 /nfs/dbraw/zinc/86/21/73/804862173.db2.gz CBJMRRSZAWBDHU-ZIAGYGMSSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222049467 804862184 /nfs/dbraw/zinc/86/21/84/804862184.db2.gz CBJMRRSZAWBDHU-ZIAGYGMSSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222049467 804862192 /nfs/dbraw/zinc/86/21/92/804862192.db2.gz CBJMRRSZAWBDHU-ZIAGYGMSSA-N 2 1 263.385 0.493 20 30 CCEDMP N#Cc1cccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)n1 ZINC001222100089 804871015 /nfs/dbraw/zinc/87/10/15/804871015.db2.gz UWEUTDNSCRGLKJ-UHFFFAOYSA-N 2 1 271.368 0.481 20 30 CCEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001277074666 805163847 /nfs/dbraw/zinc/16/38/47/805163847.db2.gz MAIWKVAMJPUDCI-MGPQQGTHSA-N 2 1 265.401 0.999 20 30 CCEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001277148370 805277081 /nfs/dbraw/zinc/27/70/81/805277081.db2.gz OMOVUWCSNCOIOI-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCN[C@H](C#N)C1 ZINC001246305041 807215750 /nfs/dbraw/zinc/21/57/50/807215750.db2.gz OEEQOPHBEKCIOG-RDBSUJKOSA-N 2 1 294.399 0.447 20 30 CCEDMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278582630 807604784 /nfs/dbraw/zinc/60/47/84/807604784.db2.gz NJSGOHDOORWPQI-GDBMZVCRSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001278787913 808244163 /nfs/dbraw/zinc/24/41/63/808244163.db2.gz XRZRKDHEMSZYPM-GOEBONIOSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001278787913 808244170 /nfs/dbraw/zinc/24/41/70/808244170.db2.gz XRZRKDHEMSZYPM-GOEBONIOSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001278787913 808244179 /nfs/dbraw/zinc/24/41/79/808244179.db2.gz XRZRKDHEMSZYPM-GOEBONIOSA-N 2 1 293.411 0.047 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001278827435 808298607 /nfs/dbraw/zinc/29/86/07/808298607.db2.gz NKRBLCDPGKTYEM-KBPBESRZSA-N 2 1 283.416 0.313 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001278872152 808402599 /nfs/dbraw/zinc/40/25/99/808402599.db2.gz AQUWZGZUICLBNU-AWEZNQCLSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001278872152 808402602 /nfs/dbraw/zinc/40/26/02/808402602.db2.gz AQUWZGZUICLBNU-AWEZNQCLSA-N 2 1 295.427 0.600 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001263812113 809574747 /nfs/dbraw/zinc/57/47/47/809574747.db2.gz HQFHTMWGZDWJCJ-KBPBESRZSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001263812113 809574751 /nfs/dbraw/zinc/57/47/51/809574751.db2.gz HQFHTMWGZDWJCJ-KBPBESRZSA-N 2 1 265.401 0.883 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001263995747 809619891 /nfs/dbraw/zinc/61/98/91/809619891.db2.gz KLMNEHYBXINOBJ-JHJVBQTASA-N 2 1 251.374 0.561 20 30 CCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264080644 809628498 /nfs/dbraw/zinc/62/84/98/809628498.db2.gz SPIOWFWFQZCELE-CABCVRRESA-N 2 1 295.427 0.245 20 30 CCEDMP CC#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001265358326 809763749 /nfs/dbraw/zinc/76/37/49/809763749.db2.gz GULFCRRXWLXXKO-OAHLLOKOSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265967605 809908539 /nfs/dbraw/zinc/90/85/39/809908539.db2.gz WOPFZKOXLFOGEO-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265967605 809908543 /nfs/dbraw/zinc/90/85/43/809908543.db2.gz WOPFZKOXLFOGEO-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088835929 815361961 /nfs/dbraw/zinc/36/19/61/815361961.db2.gz WIYMSXHBWAZFTJ-OCCSQVGLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001267428834 811298339 /nfs/dbraw/zinc/29/83/39/811298339.db2.gz DMEDMNJSHOKSEG-UHFFFAOYSA-N 2 1 253.390 0.646 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105013463 811805752 /nfs/dbraw/zinc/80/57/52/811805752.db2.gz NWBNPQUOJDLETN-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001279809393 811879988 /nfs/dbraw/zinc/87/99/88/811879988.db2.gz HNBRVAIDGCFZPV-GJZGRUSLSA-N 2 1 297.443 0.703 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267970386 811905310 /nfs/dbraw/zinc/90/53/10/811905310.db2.gz PZCSWVTWESESQU-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001268073880 812186351 /nfs/dbraw/zinc/18/63/51/812186351.db2.gz BUWPEERRWHRFOC-CYBMUJFWSA-N 2 1 292.383 0.278 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028112609 812286892 /nfs/dbraw/zinc/28/68/92/812286892.db2.gz WBYLAEZOQZYLEC-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001268235735 812397801 /nfs/dbraw/zinc/39/78/01/812397801.db2.gz NTOPGJGGXMHUPS-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001268235735 812397810 /nfs/dbraw/zinc/39/78/10/812397810.db2.gz NTOPGJGGXMHUPS-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001268322772 812487474 /nfs/dbraw/zinc/48/74/74/812487474.db2.gz ZPHHSNJKKYDNMA-CABCVRRESA-N 2 1 297.443 0.751 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001028447195 812710361 /nfs/dbraw/zinc/71/03/61/812710361.db2.gz NMJWBQMLHHZPKS-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447195 812710363 /nfs/dbraw/zinc/71/03/63/812710363.db2.gz NMJWBQMLHHZPKS-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447195 812710365 /nfs/dbraw/zinc/71/03/65/812710365.db2.gz NMJWBQMLHHZPKS-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028462118 812728863 /nfs/dbraw/zinc/72/88/63/812728863.db2.gz YFYYXZVHGLTIBH-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028462118 812728867 /nfs/dbraw/zinc/72/88/67/812728867.db2.gz YFYYXZVHGLTIBH-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028462118 812728874 /nfs/dbraw/zinc/72/88/74/812728874.db2.gz YFYYXZVHGLTIBH-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028462118 812728878 /nfs/dbraw/zinc/72/88/78/812728878.db2.gz YFYYXZVHGLTIBH-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001269393683 813355382 /nfs/dbraw/zinc/35/53/82/813355382.db2.gz JLHAAECCYLKVRE-KBPBESRZSA-N 2 1 295.427 0.910 20 30 CCEDMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001269393683 813355387 /nfs/dbraw/zinc/35/53/87/813355387.db2.gz JLHAAECCYLKVRE-KBPBESRZSA-N 2 1 295.427 0.910 20 30 CCEDMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC#CCOC ZINC001269453543 813375091 /nfs/dbraw/zinc/37/50/91/813375091.db2.gz DVHMIFGHGXOHIE-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758523 813448525 /nfs/dbraw/zinc/44/85/25/813448525.db2.gz QWLVATUQNJRPLS-HUUCEWRRSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001269970464 813571609 /nfs/dbraw/zinc/57/16/09/813571609.db2.gz CVGHMFDYWUMDPL-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001271145648 814206012 /nfs/dbraw/zinc/20/60/12/814206012.db2.gz PAEQHBGXEYYESY-IIAWOOMASA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001271145648 814206021 /nfs/dbraw/zinc/20/60/21/814206021.db2.gz PAEQHBGXEYYESY-IIAWOOMASA-N 2 1 295.427 0.456 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168022393 814206908 /nfs/dbraw/zinc/20/69/08/814206908.db2.gz ODYPAAQHTFFVCD-ZIAGYGMSSA-N 2 1 263.385 0.732 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001271145647 814207747 /nfs/dbraw/zinc/20/77/47/814207747.db2.gz PAEQHBGXEYYESY-FMKPAKJESA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001271145647 814207757 /nfs/dbraw/zinc/20/77/57/814207757.db2.gz PAEQHBGXEYYESY-FMKPAKJESA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001271160682 814252830 /nfs/dbraw/zinc/25/28/30/814252830.db2.gz XKUPSWJJDVBECD-ZFWWWQNUSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271160682 814252836 /nfs/dbraw/zinc/25/28/36/814252836.db2.gz XKUPSWJJDVBECD-ZFWWWQNUSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271160682 814252842 /nfs/dbraw/zinc/25/28/42/814252842.db2.gz XKUPSWJJDVBECD-ZFWWWQNUSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444388 815646265 /nfs/dbraw/zinc/64/62/65/815646265.db2.gz WDYCKFYBTAMUMA-RBSFLKMASA-N 2 1 293.411 0.208 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444388 815646271 /nfs/dbraw/zinc/64/62/71/815646271.db2.gz WDYCKFYBTAMUMA-RBSFLKMASA-N 2 1 293.411 0.208 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030346824 815988234 /nfs/dbraw/zinc/98/82/34/815988234.db2.gz FKUJCHPTNDSDMC-GJZGRUSLSA-N 2 1 293.411 0.616 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030346824 815988238 /nfs/dbraw/zinc/98/82/38/815988238.db2.gz FKUJCHPTNDSDMC-GJZGRUSLSA-N 2 1 293.411 0.616 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105945461 816019310 /nfs/dbraw/zinc/01/93/10/816019310.db2.gz YGWWCPQGTSAXTN-MCIONIFRSA-N 2 1 263.385 0.398 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1C ZINC001088859602 816089660 /nfs/dbraw/zinc/08/96/60/816089660.db2.gz GWLMQKNGJPXUMU-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088859602 816089665 /nfs/dbraw/zinc/08/96/65/816089665.db2.gz GWLMQKNGJPXUMU-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088859602 816089670 /nfs/dbraw/zinc/08/96/70/816089670.db2.gz GWLMQKNGJPXUMU-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001031683847 817243589 /nfs/dbraw/zinc/24/35/89/817243589.db2.gz AHKBKMVEALVDTE-UONOGXRCSA-N 2 1 265.401 0.951 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031975930 817513321 /nfs/dbraw/zinc/51/33/21/817513321.db2.gz BSISFZWKBABFDA-OCCSQVGLSA-N 2 1 263.385 0.255 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031975930 817513325 /nfs/dbraw/zinc/51/33/25/817513325.db2.gz BSISFZWKBABFDA-OCCSQVGLSA-N 2 1 263.385 0.255 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976692 817515171 /nfs/dbraw/zinc/51/51/71/817515171.db2.gz QSCMTWJBMUZHRV-JSGCOSHPSA-N 2 1 265.401 0.808 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001052252455 818176781 /nfs/dbraw/zinc/17/67/81/818176781.db2.gz UDIHRCDYVXRHDU-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052252455 818176783 /nfs/dbraw/zinc/17/67/83/818176783.db2.gz UDIHRCDYVXRHDU-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052252455 818176785 /nfs/dbraw/zinc/17/67/85/818176785.db2.gz UDIHRCDYVXRHDU-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032960315 818388618 /nfs/dbraw/zinc/38/86/18/818388618.db2.gz QWEGQXUAGLQDJK-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032975371 818401277 /nfs/dbraw/zinc/40/12/77/818401277.db2.gz IWFMZJHNDBVCEV-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032975371 818401279 /nfs/dbraw/zinc/40/12/79/818401279.db2.gz IWFMZJHNDBVCEV-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032975371 818401287 /nfs/dbraw/zinc/40/12/87/818401287.db2.gz IWFMZJHNDBVCEV-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032975371 818401292 /nfs/dbraw/zinc/40/12/92/818401292.db2.gz IWFMZJHNDBVCEV-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)Cn2ccnc2C)C1 ZINC001033669282 818877823 /nfs/dbraw/zinc/87/78/23/818877823.db2.gz QDYCQYSGKXEFDA-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001033670367 818879075 /nfs/dbraw/zinc/87/90/75/818879075.db2.gz AUXIOHBRWIKYMQ-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001033670367 818879077 /nfs/dbraw/zinc/87/90/77/818879077.db2.gz AUXIOHBRWIKYMQ-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033670367 818879080 /nfs/dbraw/zinc/87/90/80/818879080.db2.gz AUXIOHBRWIKYMQ-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033670367 818879081 /nfs/dbraw/zinc/87/90/81/818879081.db2.gz AUXIOHBRWIKYMQ-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033875351 818971943 /nfs/dbraw/zinc/97/19/43/818971943.db2.gz RGWTYNYEYXTMIL-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033875351 818971949 /nfs/dbraw/zinc/97/19/49/818971949.db2.gz RGWTYNYEYXTMIL-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033875351 818971956 /nfs/dbraw/zinc/97/19/56/818971956.db2.gz RGWTYNYEYXTMIL-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033875351 818971961 /nfs/dbraw/zinc/97/19/61/818971961.db2.gz RGWTYNYEYXTMIL-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCO)C1 ZINC001034250365 819135070 /nfs/dbraw/zinc/13/50/70/819135070.db2.gz SVCXEUIMZZXHIE-GJZGRUSLSA-N 2 1 293.411 0.047 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001035312989 819463336 /nfs/dbraw/zinc/46/33/36/819463336.db2.gz LTHRQQDYFIMWHF-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001035312989 819463343 /nfs/dbraw/zinc/46/33/43/819463343.db2.gz LTHRQQDYFIMWHF-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035312989 819463348 /nfs/dbraw/zinc/46/33/48/819463348.db2.gz LTHRQQDYFIMWHF-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035312989 819463353 /nfs/dbraw/zinc/46/33/53/819463353.db2.gz LTHRQQDYFIMWHF-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035580067 819576080 /nfs/dbraw/zinc/57/60/80/819576080.db2.gz PPRPUCBOWOBGRR-CQSZACIVSA-N 2 1 293.411 0.475 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035580067 819576087 /nfs/dbraw/zinc/57/60/87/819576087.db2.gz PPRPUCBOWOBGRR-CQSZACIVSA-N 2 1 293.411 0.475 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001036292794 819720567 /nfs/dbraw/zinc/72/05/67/819720567.db2.gz FUAVKLTYZGEEFF-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080324777 820547500 /nfs/dbraw/zinc/54/75/00/820547500.db2.gz CINDYAILYFCRFL-RBSFLKMASA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080324777 820547509 /nfs/dbraw/zinc/54/75/09/820547509.db2.gz CINDYAILYFCRFL-RBSFLKMASA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324777 820547515 /nfs/dbraw/zinc/54/75/15/820547515.db2.gz CINDYAILYFCRFL-RBSFLKMASA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324777 820547518 /nfs/dbraw/zinc/54/75/18/820547518.db2.gz CINDYAILYFCRFL-RBSFLKMASA-N 2 1 295.427 0.718 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001080782537 820636442 /nfs/dbraw/zinc/63/64/42/820636442.db2.gz PNSOIFJCUMJAFA-TZMCWYRMSA-N 2 1 276.384 0.975 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081448656 820778238 /nfs/dbraw/zinc/77/82/38/820778238.db2.gz NMHRBHAGBOHVJN-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081448656 820778244 /nfs/dbraw/zinc/77/82/44/820778244.db2.gz NMHRBHAGBOHVJN-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081448656 820778251 /nfs/dbraw/zinc/77/82/51/820778251.db2.gz NMHRBHAGBOHVJN-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081448656 820778259 /nfs/dbraw/zinc/77/82/59/820778259.db2.gz NMHRBHAGBOHVJN-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001081949558 820869025 /nfs/dbraw/zinc/86/90/25/820869025.db2.gz VHGKLOGVDKYECA-ZIAGYGMSSA-N 2 1 292.383 0.583 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001081949558 820869033 /nfs/dbraw/zinc/86/90/33/820869033.db2.gz VHGKLOGVDKYECA-ZIAGYGMSSA-N 2 1 292.383 0.583 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001082544271 820995488 /nfs/dbraw/zinc/99/54/88/820995488.db2.gz TUHNNMRYNHNJIL-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082933941 821065419 /nfs/dbraw/zinc/06/54/19/821065419.db2.gz PXTOFRFZCVNADY-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082933941 821065432 /nfs/dbraw/zinc/06/54/32/821065432.db2.gz PXTOFRFZCVNADY-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871867 821466643 /nfs/dbraw/zinc/46/66/43/821466643.db2.gz LEVSVDVMICWFKH-ZIAGYGMSSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120510 822118605 /nfs/dbraw/zinc/11/86/05/822118605.db2.gz BIDJUYJKWQLPIT-YIYPIFLZSA-N 2 1 281.400 0.376 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120510 822118608 /nfs/dbraw/zinc/11/86/08/822118608.db2.gz BIDJUYJKWQLPIT-YIYPIFLZSA-N 2 1 281.400 0.376 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086371686 822229214 /nfs/dbraw/zinc/22/92/14/822229214.db2.gz SNUFQVULSGAKHN-ZQDZILKHSA-N 2 1 293.411 0.520 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001086478777 822273969 /nfs/dbraw/zinc/27/39/69/822273969.db2.gz ZMGQXNLJQYDZTP-AAVRWANBSA-N 2 1 263.385 0.302 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOC(C)C ZINC001129791135 837557091 /nfs/dbraw/zinc/55/70/91/837557091.db2.gz UKWCXGRVXJWBJC-AWEZNQCLSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOC(C)C ZINC001129791135 837557098 /nfs/dbraw/zinc/55/70/98/837557098.db2.gz UKWCXGRVXJWBJC-AWEZNQCLSA-N 2 1 281.400 0.215 20 30 CCEDMP C=C[C@@H](CO)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001169781502 836443442 /nfs/dbraw/zinc/44/34/42/836443442.db2.gz XEGXPIGXUJXMLD-NSHDSACASA-N 2 1 258.325 0.980 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363030 836522752 /nfs/dbraw/zinc/52/27/52/836522752.db2.gz DLIWGDPWRDWDPF-OAHLLOKOSA-N 2 1 293.411 0.359 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433305 836762762 /nfs/dbraw/zinc/76/27/62/836762762.db2.gz PODHNCXGQJMKAE-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433305 836762766 /nfs/dbraw/zinc/76/27/66/836762766.db2.gz PODHNCXGQJMKAE-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C#CC[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815800 838238778 /nfs/dbraw/zinc/23/87/78/838238778.db2.gz UOLNDCFBIGAEEJ-UHFFFAOYSA-N 2 1 265.401 0.980 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731655 839760924 /nfs/dbraw/zinc/76/09/24/839760924.db2.gz UMSBXRKGLFCZMD-KBPBESRZSA-N 2 1 293.411 0.210 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146704721 840343705 /nfs/dbraw/zinc/34/37/05/840343705.db2.gz HPUAPKOMFAWHGG-UHFFFAOYSA-N 2 1 257.378 0.237 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150554620 842342676 /nfs/dbraw/zinc/34/26/76/842342676.db2.gz VSXYGFWWWIEYLC-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150554620 842342685 /nfs/dbraw/zinc/34/26/85/842342685.db2.gz VSXYGFWWWIEYLC-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150554620 842342698 /nfs/dbraw/zinc/34/26/98/842342698.db2.gz VSXYGFWWWIEYLC-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150554620 842342709 /nfs/dbraw/zinc/34/27/09/842342709.db2.gz VSXYGFWWWIEYLC-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H]1C ZINC001179983274 843091196 /nfs/dbraw/zinc/09/11/96/843091196.db2.gz SUXXRLCWFGLUTN-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001180331536 843154051 /nfs/dbraw/zinc/15/40/51/843154051.db2.gz KNFDZYZQJCAQFJ-OAHLLOKOSA-N 2 1 295.427 0.607 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001180331536 843154058 /nfs/dbraw/zinc/15/40/58/843154058.db2.gz KNFDZYZQJCAQFJ-OAHLLOKOSA-N 2 1 295.427 0.607 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002766 846195425 /nfs/dbraw/zinc/19/54/25/846195425.db2.gz YUELTDQJPBZHKI-CABCVRRESA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002766 846195431 /nfs/dbraw/zinc/19/54/31/846195431.db2.gz YUELTDQJPBZHKI-CABCVRRESA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002766 846195438 /nfs/dbraw/zinc/19/54/38/846195438.db2.gz YUELTDQJPBZHKI-CABCVRRESA-N 2 1 293.411 0.121 20 30 CCEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194155502 846223291 /nfs/dbraw/zinc/22/32/91/846223291.db2.gz UJQRNASTTKKFRB-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001194155502 846223303 /nfs/dbraw/zinc/22/33/03/846223303.db2.gz UJQRNASTTKKFRB-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001194155502 846223317 /nfs/dbraw/zinc/22/33/17/846223317.db2.gz UJQRNASTTKKFRB-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194155502 846223336 /nfs/dbraw/zinc/22/33/36/846223336.db2.gz UJQRNASTTKKFRB-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194155502 846223346 /nfs/dbraw/zinc/22/33/46/846223346.db2.gz UJQRNASTTKKFRB-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2cnc[nH]2)CCCO1 ZINC001200648277 847678991 /nfs/dbraw/zinc/67/89/91/847678991.db2.gz JWXUEIAVNFNQTN-CQSZACIVSA-N 2 1 290.367 0.183 20 30 CCEDMP C=C[C@@](C)(O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252558572 848004887 /nfs/dbraw/zinc/00/48/87/848004887.db2.gz XUPPLHRHLASKJS-TZMCWYRMSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C[C@@](C)(O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252558572 848004891 /nfs/dbraw/zinc/00/48/91/848004891.db2.gz XUPPLHRHLASKJS-TZMCWYRMSA-N 2 1 269.389 0.066 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)CC ZINC001114489017 848084673 /nfs/dbraw/zinc/08/46/73/848084673.db2.gz XLOYSSSCBCAZEA-WDNDVIMCSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114489017 848084678 /nfs/dbraw/zinc/08/46/78/848084678.db2.gz XLOYSSSCBCAZEA-WDNDVIMCSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114489017 848084682 /nfs/dbraw/zinc/08/46/82/848084682.db2.gz XLOYSSSCBCAZEA-WDNDVIMCSA-N 2 1 277.412 0.786 20 30 CCEDMP C=CCC1(O)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000717425739 848262063 /nfs/dbraw/zinc/26/20/63/848262063.db2.gz ZBUDSVUXEHUCCZ-CQSZACIVSA-N 2 1 268.401 0.846 20 30 CCEDMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](CCC#N)C2)C1=O ZINC001274031344 848312556 /nfs/dbraw/zinc/31/25/56/848312556.db2.gz ODAAZHFLRKTQJF-HNNXBMFYSA-N 2 1 292.383 0.303 20 30 CCEDMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](CCC#N)C2)C1=O ZINC001274031344 848312563 /nfs/dbraw/zinc/31/25/63/848312563.db2.gz ODAAZHFLRKTQJF-HNNXBMFYSA-N 2 1 292.383 0.303 20 30 CCEDMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](CCCC#N)C2)C1=O ZINC001274040526 848314680 /nfs/dbraw/zinc/31/46/80/848314680.db2.gz UFXWOBYLISLMHM-HNNXBMFYSA-N 2 1 278.400 0.776 20 30 CCEDMP C#CC[NH2+]CC1CC(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001275251231 848678295 /nfs/dbraw/zinc/67/82/95/848678295.db2.gz RNLZZHRARUTDFA-UHFFFAOYSA-N 2 1 290.367 0.467 20 30 CCEDMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001275858924 848850779 /nfs/dbraw/zinc/85/07/79/848850779.db2.gz SERPRIVTUNCNIT-ZIAGYGMSSA-N 2 1 283.416 0.413 20 30 CCEDMP COCC#CCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001276360953 849451002 /nfs/dbraw/zinc/45/10/02/849451002.db2.gz NHQYFPPAHJKVCX-UKRRQHHQSA-N 2 1 293.411 0.167 20 30 CCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001276360953 849451004 /nfs/dbraw/zinc/45/10/04/849451004.db2.gz NHQYFPPAHJKVCX-UKRRQHHQSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041141573 850384165 /nfs/dbraw/zinc/38/41/65/850384165.db2.gz OOLRCUSCEYIHBI-GOEBONIOSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041141573 850384178 /nfs/dbraw/zinc/38/41/78/850384178.db2.gz OOLRCUSCEYIHBI-GOEBONIOSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041141573 850384185 /nfs/dbraw/zinc/38/41/85/850384185.db2.gz OOLRCUSCEYIHBI-GOEBONIOSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042157625 850585403 /nfs/dbraw/zinc/58/54/03/850585403.db2.gz SNJCWTPXQIQGHT-GJZGRUSLSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042157625 850585409 /nfs/dbraw/zinc/58/54/09/850585409.db2.gz SNJCWTPXQIQGHT-GJZGRUSLSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095963191 850972270 /nfs/dbraw/zinc/97/22/70/850972270.db2.gz ZDGWTRXITBTSCV-ILXRZTDVSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095963191 850972276 /nfs/dbraw/zinc/97/22/76/850972276.db2.gz ZDGWTRXITBTSCV-ILXRZTDVSA-N 2 1 275.396 0.683 20 30 CCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046189245 851412005 /nfs/dbraw/zinc/41/20/05/851412005.db2.gz KWEZESDRSGYRAC-JSGCOSHPSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046189244 851412178 /nfs/dbraw/zinc/41/21/78/851412178.db2.gz KWEZESDRSGYRAC-GXTWGEPZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046189249 851413012 /nfs/dbraw/zinc/41/30/12/851413012.db2.gz KWEZESDRSGYRAC-TZMCWYRMSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046417312 851497740 /nfs/dbraw/zinc/49/77/40/851497740.db2.gz LLZMLHFXYIRYNE-IIAWOOMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046417312 851497741 /nfs/dbraw/zinc/49/77/41/851497741.db2.gz LLZMLHFXYIRYNE-IIAWOOMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046417312 851497744 /nfs/dbraw/zinc/49/77/44/851497744.db2.gz LLZMLHFXYIRYNE-IIAWOOMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046417312 851497746 /nfs/dbraw/zinc/49/77/46/851497746.db2.gz LLZMLHFXYIRYNE-IIAWOOMASA-N 2 1 293.411 0.309 20 30 CCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046833252 851625912 /nfs/dbraw/zinc/62/59/12/851625912.db2.gz DXNMQWPHXQZFJV-JSGCOSHPSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046833252 851625918 /nfs/dbraw/zinc/62/59/18/851625918.db2.gz DXNMQWPHXQZFJV-JSGCOSHPSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046833252 851625928 /nfs/dbraw/zinc/62/59/28/851625928.db2.gz DXNMQWPHXQZFJV-JSGCOSHPSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001047386019 851745434 /nfs/dbraw/zinc/74/54/34/851745434.db2.gz JRVOYQPMQOZTNF-XGUBFFRZSA-N 2 1 295.427 0.406 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001047386019 851745442 /nfs/dbraw/zinc/74/54/42/851745442.db2.gz JRVOYQPMQOZTNF-XGUBFFRZSA-N 2 1 295.427 0.406 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001047386019 851745446 /nfs/dbraw/zinc/74/54/46/851745446.db2.gz JRVOYQPMQOZTNF-XGUBFFRZSA-N 2 1 295.427 0.406 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047386019 851745453 /nfs/dbraw/zinc/74/54/53/851745453.db2.gz JRVOYQPMQOZTNF-XGUBFFRZSA-N 2 1 295.427 0.406 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047386019 851745461 /nfs/dbraw/zinc/74/54/61/851745461.db2.gz JRVOYQPMQOZTNF-XGUBFFRZSA-N 2 1 295.427 0.406 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001049369477 852243635 /nfs/dbraw/zinc/24/36/35/852243635.db2.gz OXMQSTRJAKQSBK-RBSFLKMASA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049369477 852243644 /nfs/dbraw/zinc/24/36/44/852243644.db2.gz OXMQSTRJAKQSBK-RBSFLKMASA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049369477 852243652 /nfs/dbraw/zinc/24/36/52/852243652.db2.gz OXMQSTRJAKQSBK-RBSFLKMASA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001052563217 853766048 /nfs/dbraw/zinc/76/60/48/853766048.db2.gz KPTZWPBYLJQRTP-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001052563217 853766049 /nfs/dbraw/zinc/76/60/49/853766049.db2.gz KPTZWPBYLJQRTP-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796169 854294961 /nfs/dbraw/zinc/29/49/61/854294961.db2.gz QBINWEUFWLRSCR-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072541986 854411330 /nfs/dbraw/zinc/41/13/30/854411330.db2.gz IBBSXDRCWVRCPK-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072541986 854411335 /nfs/dbraw/zinc/41/13/35/854411335.db2.gz IBBSXDRCWVRCPK-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072541986 854411340 /nfs/dbraw/zinc/41/13/40/854411340.db2.gz IBBSXDRCWVRCPK-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001072941504 854498372 /nfs/dbraw/zinc/49/83/72/854498372.db2.gz SZITVWBZKPSZDQ-UHFFFAOYSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001075106013 854812351 /nfs/dbraw/zinc/81/23/51/854812351.db2.gz GDFNQXBKJVZNNO-AVGNSLFASA-N 2 1 251.374 0.703 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100079961 855094428 /nfs/dbraw/zinc/09/44/28/855094428.db2.gz BFBFZUZHUUIZPZ-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100079961 855094439 /nfs/dbraw/zinc/09/44/39/855094439.db2.gz BFBFZUZHUUIZPZ-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100079961 855094418 /nfs/dbraw/zinc/09/44/18/855094418.db2.gz BFBFZUZHUUIZPZ-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100083242 855096720 /nfs/dbraw/zinc/09/67/20/855096720.db2.gz PAWFERNQUGOIKD-HUUCEWRRSA-N 2 1 295.427 0.293 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100083242 855096729 /nfs/dbraw/zinc/09/67/29/855096729.db2.gz PAWFERNQUGOIKD-HUUCEWRRSA-N 2 1 295.427 0.293 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100083242 855096740 /nfs/dbraw/zinc/09/67/40/855096740.db2.gz PAWFERNQUGOIKD-HUUCEWRRSA-N 2 1 295.427 0.293 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100083107 855097173 /nfs/dbraw/zinc/09/71/73/855097173.db2.gz NGERIRQMMUASHM-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100083107 855097178 /nfs/dbraw/zinc/09/71/78/855097178.db2.gz NGERIRQMMUASHM-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100083107 855097181 /nfs/dbraw/zinc/09/71/81/855097181.db2.gz NGERIRQMMUASHM-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001100185674 855113717 /nfs/dbraw/zinc/11/37/17/855113717.db2.gz KAGSBXQITNIYCE-RUXDESIVSA-N 2 1 263.385 0.588 20 30 CCEDMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100829974 855230493 /nfs/dbraw/zinc/23/04/93/855230493.db2.gz VIOBJMYKLJKNAI-UHFFFAOYSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001323860724 912547794 /nfs/dbraw/zinc/54/77/94/912547794.db2.gz UQDBTUZABSKFSJ-INIZCTEOSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001324705737 912990899 /nfs/dbraw/zinc/99/08/99/912990899.db2.gz IPABNZBFWMREMD-ZBFHGGJFSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001324705737 912990903 /nfs/dbraw/zinc/99/09/03/912990903.db2.gz IPABNZBFWMREMD-ZBFHGGJFSA-N 2 1 293.411 0.169 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001496232293 892022619 /nfs/dbraw/zinc/02/26/19/892022619.db2.gz HJEYWTYKKDGUQO-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001496232293 892022632 /nfs/dbraw/zinc/02/26/32/892022632.db2.gz HJEYWTYKKDGUQO-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283759400 892363626 /nfs/dbraw/zinc/36/36/26/892363626.db2.gz GXSQONVANXHSIQ-MGPQQGTHSA-N 2 1 283.416 0.360 20 30 CCEDMP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001481747659 893111313 /nfs/dbraw/zinc/11/13/13/893111313.db2.gz ATBCZBCRVJLGDO-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001481747659 893111318 /nfs/dbraw/zinc/11/13/18/893111318.db2.gz ATBCZBCRVJLGDO-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001481747659 893111324 /nfs/dbraw/zinc/11/13/24/893111324.db2.gz ATBCZBCRVJLGDO-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001481747659 893111327 /nfs/dbraw/zinc/11/13/27/893111327.db2.gz ATBCZBCRVJLGDO-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001482433544 893978069 /nfs/dbraw/zinc/97/80/69/893978069.db2.gz KUJZZQRWHYZPLH-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482628175 894429227 /nfs/dbraw/zinc/42/92/27/894429227.db2.gz GTYJCPRUQTVEJL-CQSZACIVSA-N 2 1 265.401 0.742 20 30 CCEDMP C#CCC[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001482628175 894429240 /nfs/dbraw/zinc/42/92/40/894429240.db2.gz GTYJCPRUQTVEJL-CQSZACIVSA-N 2 1 265.401 0.742 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001482628175 894429252 /nfs/dbraw/zinc/42/92/52/894429252.db2.gz GTYJCPRUQTVEJL-CQSZACIVSA-N 2 1 265.401 0.742 20 30 CCEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482728102 894547333 /nfs/dbraw/zinc/54/73/33/894547333.db2.gz DZSMHODNNSBLRQ-ZIAGYGMSSA-N 2 1 283.416 0.502 20 30 CCEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001482841011 894645568 /nfs/dbraw/zinc/64/55/68/894645568.db2.gz BLKNDSGFIHXIOU-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+]CC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001482847907 894647861 /nfs/dbraw/zinc/64/78/61/894647861.db2.gz KIWZNVXAZMCVCD-NSHDSACASA-N 2 1 278.356 0.467 20 30 CCEDMP CC#CC[NH2+]CCN(CC)C(=O)C[N@H+](C)CCC ZINC001482962439 894734047 /nfs/dbraw/zinc/73/40/47/894734047.db2.gz DGCYRBLUOHPOJP-UHFFFAOYSA-N 2 1 253.390 0.790 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001076049584 895014458 /nfs/dbraw/zinc/01/44/58/895014458.db2.gz IHQVIPMRVXEMKD-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001076049584 895014474 /nfs/dbraw/zinc/01/44/74/895014474.db2.gz IHQVIPMRVXEMKD-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC001326399472 913933295 /nfs/dbraw/zinc/93/32/95/913933295.db2.gz AKNUKXXLALAUOG-KGLIPLIRSA-N 2 1 287.367 0.576 20 30 CCEDMP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001483467480 895594435 /nfs/dbraw/zinc/59/44/35/895594435.db2.gz YNCFKWQKNULQBV-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001484420954 896391550 /nfs/dbraw/zinc/39/15/50/896391550.db2.gz FTKJWEAMJVTFLV-OAHLLOKOSA-N 2 1 294.443 0.437 20 30 CCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001484501854 896447322 /nfs/dbraw/zinc/44/73/22/896447322.db2.gz LQWHCJWGFGJEAB-OAHLLOKOSA-N 2 1 297.443 0.847 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001484725745 896563011 /nfs/dbraw/zinc/56/30/11/896563011.db2.gz IGHBUGKYWIYHIB-OAHLLOKOSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001484725745 896563021 /nfs/dbraw/zinc/56/30/21/896563021.db2.gz IGHBUGKYWIYHIB-OAHLLOKOSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484976038 896692835 /nfs/dbraw/zinc/69/28/35/896692835.db2.gz KUELSNUZPLXLKW-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)CCc2cncn2C)C1 ZINC001493256393 914132295 /nfs/dbraw/zinc/13/22/95/914132295.db2.gz BJPFEVYKQREVOS-ZDUSSCGKSA-N 2 1 276.384 0.977 20 30 CCEDMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001485679127 897177528 /nfs/dbraw/zinc/17/75/28/897177528.db2.gz HGEFMVDTEHDTOO-MGPQQGTHSA-N 2 1 263.385 0.588 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032782941 898184478 /nfs/dbraw/zinc/18/44/78/898184478.db2.gz OINBCKFUHZYFBC-KBPBESRZSA-N 2 1 263.385 0.943 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032782941 898184487 /nfs/dbraw/zinc/18/44/87/898184487.db2.gz OINBCKFUHZYFBC-KBPBESRZSA-N 2 1 263.385 0.943 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC)CC1 ZINC001032800452 898375703 /nfs/dbraw/zinc/37/57/03/898375703.db2.gz JPSVRGGOLYEMCZ-GJZGRUSLSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485956611 898519545 /nfs/dbraw/zinc/51/95/45/898519545.db2.gz YQNZXJOSPKELKL-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001486295642 898761556 /nfs/dbraw/zinc/76/15/56/898761556.db2.gz PTGUIAVBTPCJGM-HUUCEWRRSA-N 2 1 297.443 0.703 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001486312978 898788265 /nfs/dbraw/zinc/78/82/65/898788265.db2.gz JGAWLMGJCIXEPK-HOCLYGCPSA-N 2 1 295.427 0.457 20 30 CCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176565672 899976661 /nfs/dbraw/zinc/97/66/61/899976661.db2.gz WWWJDKAQSOADSW-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001327670496 914696009 /nfs/dbraw/zinc/69/60/09/914696009.db2.gz WIRKDVPRWVSDSG-AWEZNQCLSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001280821957 904155988 /nfs/dbraw/zinc/15/59/88/904155988.db2.gz IARVOVUNTPJKIW-CQSZACIVSA-N 2 1 288.395 0.859 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001280967686 904183341 /nfs/dbraw/zinc/18/33/41/904183341.db2.gz HAEQFDJDPFPEML-CYBMUJFWSA-N 2 1 281.400 0.474 20 30 CCEDMP CC#CC[NH2+]CC1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001282066603 904402828 /nfs/dbraw/zinc/40/28/28/904402828.db2.gz OYTSERBFMYMWIK-UHFFFAOYSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001282205303 904431880 /nfs/dbraw/zinc/43/18/80/904431880.db2.gz DZSWTWSSPAWNLM-OLZOCXBDSA-N 2 1 297.362 0.997 20 30 CCEDMP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001282498558 904495478 /nfs/dbraw/zinc/49/54/78/904495478.db2.gz YTMNQIARBDLHDM-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001282498558 904495489 /nfs/dbraw/zinc/49/54/89/904495489.db2.gz YTMNQIARBDLHDM-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001282498558 904495503 /nfs/dbraw/zinc/49/55/03/904495503.db2.gz YTMNQIARBDLHDM-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001282498558 904495514 /nfs/dbraw/zinc/49/55/14/904495514.db2.gz YTMNQIARBDLHDM-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001282782711 904544013 /nfs/dbraw/zinc/54/40/13/904544013.db2.gz UPHKXGUGMRCGNP-INIZCTEOSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001282782711 904544026 /nfs/dbraw/zinc/54/40/26/904544026.db2.gz UPHKXGUGMRCGNP-INIZCTEOSA-N 2 1 293.411 0.265 20 30 CCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)Cn1ccnc1C ZINC001283425018 904844732 /nfs/dbraw/zinc/84/47/32/904844732.db2.gz MNURHWIIKPIOTL-UHFFFAOYSA-N 2 1 292.383 0.279 20 30 CCEDMP CC#CC[N@H+](C)CCOCCNC(=O)Cn1cc[nH+]c1C ZINC001283425018 904844750 /nfs/dbraw/zinc/84/47/50/904844750.db2.gz MNURHWIIKPIOTL-UHFFFAOYSA-N 2 1 292.383 0.279 20 30 CCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001283765405 905002796 /nfs/dbraw/zinc/00/27/96/905002796.db2.gz UCQMKTCGMUBREX-ZIAGYGMSSA-N 2 1 283.416 0.504 20 30 CCEDMP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001284446974 905298782 /nfs/dbraw/zinc/29/87/82/905298782.db2.gz BZWPNRXNPRYNRZ-CQSZACIVSA-N 2 1 297.443 0.397 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001317162127 909021976 /nfs/dbraw/zinc/02/19/76/909021976.db2.gz MEJYNGKPAAWYCE-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001317335676 909148118 /nfs/dbraw/zinc/14/81/18/909148118.db2.gz FKYJXNKZTHVYBM-GJZGRUSLSA-N 2 1 277.412 0.790 20 30 CCEDMP C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001317545928 909311481 /nfs/dbraw/zinc/31/14/81/909311481.db2.gz LOBLHWMBPGSGRG-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[NH+](CCC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317545928 909311499 /nfs/dbraw/zinc/31/14/99/909311499.db2.gz LOBLHWMBPGSGRG-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[NH+](CCC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317545928 909311506 /nfs/dbraw/zinc/31/15/06/909311506.db2.gz LOBLHWMBPGSGRG-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001317501035 909271331 /nfs/dbraw/zinc/27/13/31/909271331.db2.gz FAKIBLUVLFCGIK-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317501035 909271347 /nfs/dbraw/zinc/27/13/47/909271347.db2.gz FAKIBLUVLFCGIK-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317501035 909271357 /nfs/dbraw/zinc/27/13/57/909271357.db2.gz FAKIBLUVLFCGIK-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001318787765 909887915 /nfs/dbraw/zinc/88/79/15/909887915.db2.gz HIAQPHRWDOFHNR-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001318787765 909887920 /nfs/dbraw/zinc/88/79/20/909887920.db2.gz HIAQPHRWDOFHNR-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001319168116 910013392 /nfs/dbraw/zinc/01/33/92/910013392.db2.gz RYKRIAFVWWJNQJ-KGLIPLIRSA-N 2 1 281.400 0.072 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC#CC ZINC001319198851 910034992 /nfs/dbraw/zinc/03/49/92/910034992.db2.gz YYHSPUAXSXDNFY-CABCVRRESA-N 2 1 275.396 0.449 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC#CC ZINC001319198851 910035003 /nfs/dbraw/zinc/03/50/03/910035003.db2.gz YYHSPUAXSXDNFY-CABCVRRESA-N 2 1 275.396 0.449 20 30 CCEDMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001319604145 910225022 /nfs/dbraw/zinc/22/50/22/910225022.db2.gz KGAYYJSKZWBVBH-KGLIPLIRSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001319919376 910351742 /nfs/dbraw/zinc/35/17/42/910351742.db2.gz UBOQUIXEYQDGIF-AWEZNQCLSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001320071850 910446211 /nfs/dbraw/zinc/44/62/11/910446211.db2.gz AEZXXRHMAIMLLA-CYBMUJFWSA-N 2 1 253.390 0.596 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC#CCOC ZINC001322034061 911629194 /nfs/dbraw/zinc/62/91/94/911629194.db2.gz FGLQSZVODPCLMB-ZDUSSCGKSA-N 2 1 269.389 0.072 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322235144 911720042 /nfs/dbraw/zinc/72/00/42/911720042.db2.gz CNYOGORWDOOKAW-CYBMUJFWSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001328280220 915076565 /nfs/dbraw/zinc/07/65/65/915076565.db2.gz SABNIHKZSHCXMP-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001332536959 918265992 /nfs/dbraw/zinc/26/59/92/918265992.db2.gz PJLPIXZPKMHWOB-LSDHHAIUSA-N 2 1 297.443 0.702 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001333354254 918829270 /nfs/dbraw/zinc/82/92/70/918829270.db2.gz GXBHYEXKEFFDHT-HNNXBMFYSA-N 2 1 277.412 0.954 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001340018726 921918575 /nfs/dbraw/zinc/91/85/75/921918575.db2.gz ISNKLVPFGMQRBR-HUUCEWRRSA-N 2 1 295.427 0.993 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(CC)CC1 ZINC001340112841 921963078 /nfs/dbraw/zinc/96/30/78/921963078.db2.gz PVEWBXWZUWNFHF-OAHLLOKOSA-N 2 1 296.459 0.814 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC001340148499 921981064 /nfs/dbraw/zinc/98/10/64/921981064.db2.gz MKWIXGFFPFZAQL-AWEZNQCLSA-N 2 1 287.363 0.391 20 30 CCEDMP C=CC[C@]1(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CCC[NH2+]1 ZINC001341940197 922728655 /nfs/dbraw/zinc/72/86/55/922728655.db2.gz CUXXZKLTQUFRPD-SQWLQELKSA-N 2 1 294.443 0.435 20 30 CCEDMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]2C1 ZINC001342816216 923097877 /nfs/dbraw/zinc/09/78/77/923097877.db2.gz MIOYVUHURLIYPO-CYDGBPFRSA-N 2 1 264.373 0.464 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)C1 ZINC001349850419 925077009 /nfs/dbraw/zinc/07/70/09/925077009.db2.gz YOFMWZCWBAWJCS-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC001349850419 925077015 /nfs/dbraw/zinc/07/70/15/925077015.db2.gz YOFMWZCWBAWJCS-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC001349850419 925077020 /nfs/dbraw/zinc/07/70/20/925077020.db2.gz YOFMWZCWBAWJCS-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC001349850419 925077026 /nfs/dbraw/zinc/07/70/26/925077026.db2.gz YOFMWZCWBAWJCS-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C1 ZINC001349850418 925078133 /nfs/dbraw/zinc/07/81/33/925078133.db2.gz YOFMWZCWBAWJCS-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)C1 ZINC001349850418 925078145 /nfs/dbraw/zinc/07/81/45/925078145.db2.gz YOFMWZCWBAWJCS-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC001349850418 925078154 /nfs/dbraw/zinc/07/81/54/925078154.db2.gz YOFMWZCWBAWJCS-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC001349850418 925078164 /nfs/dbraw/zinc/07/81/64/925078164.db2.gz YOFMWZCWBAWJCS-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(CC[NH2+]C)C(C)C ZINC001353407741 925823521 /nfs/dbraw/zinc/82/35/21/925823521.db2.gz ZUICSEOMTSCWPL-UHFFFAOYSA-N 2 1 268.405 0.581 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12 ZINC001353632589 925890765 /nfs/dbraw/zinc/89/07/65/925890765.db2.gz CZOBCVCFHFJPCV-QLFBSQMISA-N 2 1 292.427 0.581 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001353632589 925890774 /nfs/dbraw/zinc/89/07/74/925890774.db2.gz CZOBCVCFHFJPCV-QLFBSQMISA-N 2 1 292.427 0.581 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001353632589 925890778 /nfs/dbraw/zinc/89/07/78/925890778.db2.gz CZOBCVCFHFJPCV-QLFBSQMISA-N 2 1 292.427 0.581 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C(=C)CC[NH+](C)C)CC1 ZINC001444333478 929845192 /nfs/dbraw/zinc/84/51/92/929845192.db2.gz BBDZXRGKULBGQY-UHFFFAOYSA-N 2 1 263.385 0.662 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C(=C)CC[NH+](C)C)CC1 ZINC001444333478 929845201 /nfs/dbraw/zinc/84/52/01/929845201.db2.gz BBDZXRGKULBGQY-UHFFFAOYSA-N 2 1 263.385 0.662 20 30 CCEDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000602875768 362855683 /nfs/dbraw/zinc/85/56/83/362855683.db2.gz ADYDITNWXFOYNY-ZFWWWQNUSA-N 2 1 283.416 0.676 20 30 CCEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000602875768 362855687 /nfs/dbraw/zinc/85/56/87/362855687.db2.gz ADYDITNWXFOYNY-ZFWWWQNUSA-N 2 1 283.416 0.676 20 30 CCEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1COCC[NH2+]1)C(C)C ZINC000165196884 350788416 /nfs/dbraw/zinc/78/84/16/350788416.db2.gz RPNNDQOBEVRXNZ-HUUCEWRRSA-N 2 1 295.427 0.790 20 30 CCEDMP CN1CC[N@@H+](C)C[C@@H]1CNCc1cccc(C#N)c1 ZINC000225313456 352001313 /nfs/dbraw/zinc/00/13/13/352001313.db2.gz VNDYNVUNFFLAFF-HNNXBMFYSA-N 2 1 258.369 0.894 20 30 CCEDMP N#Cc1ccc(N2CC[C@@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)cc1 ZINC000609144228 363473724 /nfs/dbraw/zinc/47/37/24/363473724.db2.gz CGMUEDCJYBIZOF-IJEWVQPXSA-N 2 1 296.374 0.815 20 30 CCEDMP N#Cc1ccc(N2CC[C@@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)cc1 ZINC000609144228 363473728 /nfs/dbraw/zinc/47/37/28/363473728.db2.gz CGMUEDCJYBIZOF-IJEWVQPXSA-N 2 1 296.374 0.815 20 30 CCEDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)CC[N@H+]1C ZINC000574749853 359039942 /nfs/dbraw/zinc/03/99/42/359039942.db2.gz CTQGXLZRQBDIPD-MCIONIFRSA-N 2 1 268.405 0.265 20 30 CCEDMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594438559 360307470 /nfs/dbraw/zinc/30/74/70/360307470.db2.gz OJZYLBMTEXWXPK-CHWSQXEVSA-N 2 1 282.388 0.235 20 30 CCEDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C#N)nn1 ZINC000596425187 360890212 /nfs/dbraw/zinc/89/02/12/360890212.db2.gz ORNGKGMTEMPUNC-UHFFFAOYSA-N 2 1 262.361 0.066 20 30 CCEDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C#N)nn1 ZINC000596425187 360890215 /nfs/dbraw/zinc/89/02/15/360890215.db2.gz ORNGKGMTEMPUNC-UHFFFAOYSA-N 2 1 262.361 0.066 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129360337 389186517 /nfs/dbraw/zinc/18/65/17/389186517.db2.gz MMDUXUNGJASHCZ-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCNC(=O)[C@H](C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129360337 389186520 /nfs/dbraw/zinc/18/65/20/389186520.db2.gz MMDUXUNGJASHCZ-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCNC(=O)C[N@@H+](C)CCCn1ccnc1C ZINC000136295380 389265753 /nfs/dbraw/zinc/26/57/53/389265753.db2.gz WPCFQWLHWWMEJX-UHFFFAOYSA-N 2 1 250.346 0.816 20 30 CCEDMP C=CCNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136295380 389265759 /nfs/dbraw/zinc/26/57/59/389265759.db2.gz WPCFQWLHWWMEJX-UHFFFAOYSA-N 2 1 250.346 0.816 20 30 CCEDMP C[NH+]=C(NCc1c[nH]nc1C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261980023 389280077 /nfs/dbraw/zinc/28/00/77/389280077.db2.gz OQUWSLYFWOEKGF-HZMBPMFUSA-N 2 1 290.415 0.866 20 30 CCEDMP C=CCNC(=O)NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158665623 389349002 /nfs/dbraw/zinc/34/90/02/389349002.db2.gz XYMGLIHPJJQTNZ-OLZOCXBDSA-N 2 1 294.399 0.414 20 30 CCEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C(C)C ZINC000269732117 389426675 /nfs/dbraw/zinc/42/66/75/389426675.db2.gz SJLGZQATELXSFA-QWHCGFSZSA-N 2 1 296.415 0.004 20 30 CCEDMP C=CC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](C)COC ZINC000662299144 414707806 /nfs/dbraw/zinc/70/78/06/414707806.db2.gz LDXQBECODRDXLM-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CCC[NH2+]1 ZINC000662710555 414745184 /nfs/dbraw/zinc/74/51/84/414745184.db2.gz HADHSWQANXKHNL-HOCLYGCPSA-N 2 1 295.427 0.912 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CCC[NH2+]1 ZINC000662906364 414885754 /nfs/dbraw/zinc/88/57/54/414885754.db2.gz IYAQAVZOVJKUHJ-GDBMZVCRSA-N 2 1 292.427 0.191 20 30 CCEDMP C[NH+]=C(NCc1ccnn1C)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000158457601 261164935 /nfs/dbraw/zinc/16/49/35/261164935.db2.gz QPUZZVQCGXDNKL-OCCSQVGLSA-N 2 1 292.431 0.814 20 30 CCEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000249862034 261258770 /nfs/dbraw/zinc/25/87/70/261258770.db2.gz GGZOBFBTXOVYOX-CHWSQXEVSA-N 2 1 268.405 0.802 20 30 CCEDMP C[C@H](O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H]([C@H](C)O)C2)C1 ZINC000341905710 263364893 /nfs/dbraw/zinc/36/48/93/263364893.db2.gz CCEQKLDXCHDCQG-YHUYYLMFSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@H](O)[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H]([C@H](C)O)C2)C1 ZINC000341905710 263364895 /nfs/dbraw/zinc/36/48/95/263364895.db2.gz CCEQKLDXCHDCQG-YHUYYLMFSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@H](O)[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H]([C@H](C)O)C2)C1 ZINC000341905710 263364898 /nfs/dbraw/zinc/36/48/98/263364898.db2.gz CCEQKLDXCHDCQG-YHUYYLMFSA-N 2 1 280.412 0.395 20 30 CCEDMP CNC(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)=[NH+]C ZINC000262153436 328145801 /nfs/dbraw/zinc/14/58/01/328145801.db2.gz RLQQVEMQKIGRHV-WCQYABFASA-N 2 1 278.404 0.598 20 30 CCEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N(C)C[C@H]1CCOC1 ZINC000261603412 329972897 /nfs/dbraw/zinc/97/28/97/329972897.db2.gz CNTDZNDUKLQSEF-NWDGAFQWSA-N 2 1 256.394 0.480 20 30 CCEDMP C[NH+]=C(NCC(=O)N(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262286315 330004374 /nfs/dbraw/zinc/00/43/74/330004374.db2.gz KHTMOJKRTNHENN-YHWZYXNKSA-N 2 1 295.431 0.255 20 30 CCEDMP C[C@H]1CN(C(=[NH2+])N[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000262420128 330009083 /nfs/dbraw/zinc/00/90/83/330009083.db2.gz AWLJGDBLORPVTC-QWRGUYRKSA-N 2 1 263.345 0.233 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262469252 330015308 /nfs/dbraw/zinc/01/53/08/330015308.db2.gz OKCGBZGLYVTSJU-KGLIPLIRSA-N 2 1 298.431 0.379 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H](O)C1(C)C ZINC000262469447 330015328 /nfs/dbraw/zinc/01/53/28/330015328.db2.gz ZKPJDRBHIXCHRG-UTUOFQBUSA-N 2 1 268.405 0.534 20 30 CCEDMP CN(C)C(=[NH+]CCN1CC[N@@H+](C)C(C)(C)C1)N(C)C ZINC000262823581 330034253 /nfs/dbraw/zinc/03/42/53/330034253.db2.gz YYMDNABCOQIJPU-UHFFFAOYSA-N 2 1 269.437 0.492 20 30 CCEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424133344 330265722 /nfs/dbraw/zinc/26/57/22/330265722.db2.gz LZJVQXFTPHGMLZ-YPMHNXCESA-N 2 1 277.372 0.965 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000490574194 332092006 /nfs/dbraw/zinc/09/20/06/332092006.db2.gz IWKSBGGLEZREIN-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)CC[C@H]2C)CC1 ZINC000490761058 332113286 /nfs/dbraw/zinc/11/32/86/332113286.db2.gz RGEVQHDNBVTWDZ-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@H+](CCC)C1 ZINC000491495730 332222997 /nfs/dbraw/zinc/22/29/97/332222997.db2.gz LNGBYGCCYANVLD-ZDUSSCGKSA-N 2 1 251.374 0.447 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000491626414 332250021 /nfs/dbraw/zinc/25/00/21/332250021.db2.gz JSUFYXVWTIJEBE-CQSZACIVSA-N 2 1 282.432 0.971 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+](C)[C@H](C)CC ZINC000491626414 332250022 /nfs/dbraw/zinc/25/00/22/332250022.db2.gz JSUFYXVWTIJEBE-CQSZACIVSA-N 2 1 282.432 0.971 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+](C)[C@H](C)CC ZINC000491626414 332250024 /nfs/dbraw/zinc/25/00/24/332250024.db2.gz JSUFYXVWTIJEBE-CQSZACIVSA-N 2 1 282.432 0.971 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)CCC[NH3+] ZINC000491652361 332265280 /nfs/dbraw/zinc/26/52/80/332265280.db2.gz AVDZBDXYUVAUAX-LBPRGKRZSA-N 2 1 254.378 0.368 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000491663670 332272787 /nfs/dbraw/zinc/27/27/87/332272787.db2.gz HEGQJSISRYCLEX-KGLIPLIRSA-N 2 1 280.416 0.629 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](COC)C1CCOCC1 ZINC000491777247 332342684 /nfs/dbraw/zinc/34/26/84/332342684.db2.gz ZJXRMSHUMLBCCC-OAHLLOKOSA-N 2 1 268.401 0.973 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](COC)C1CCOCC1 ZINC000491777247 332342686 /nfs/dbraw/zinc/34/26/86/332342686.db2.gz ZJXRMSHUMLBCCC-OAHLLOKOSA-N 2 1 268.401 0.973 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252846882 334396727 /nfs/dbraw/zinc/39/67/27/334396727.db2.gz FTLFIQYNOSALSY-SRVKXCTJSA-N 2 1 280.372 0.057 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252846882 334396728 /nfs/dbraw/zinc/39/67/28/334396728.db2.gz FTLFIQYNOSALSY-SRVKXCTJSA-N 2 1 280.372 0.057 20 30 CCEDMP C=C(C)[C@@H](CO)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000677221230 545360914 /nfs/dbraw/zinc/36/09/14/545360914.db2.gz HRMPNJZWERWUCG-CQSZACIVSA-N 2 1 257.422 0.739 20 30 CCEDMP C[C@@H]1CN=C(N[NH+]=Cc2ccc(N(C)CCO)cc2)N1 ZINC000779804111 581207238 /nfs/dbraw/zinc/20/72/38/581207238.db2.gz AMCDUCCBFDGDHA-LLVKDONJSA-N 2 1 275.356 0.386 20 30 CCEDMP OC[C@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@H]1CO ZINC000792863477 581274600 /nfs/dbraw/zinc/27/46/00/581274600.db2.gz WKXSGUAGAQPGQP-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP OC[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1CO ZINC000792863477 581274601 /nfs/dbraw/zinc/27/46/01/581274601.db2.gz WKXSGUAGAQPGQP-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP OC[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1CO ZINC000792863477 581274602 /nfs/dbraw/zinc/27/46/02/581274602.db2.gz WKXSGUAGAQPGQP-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP CO[C@H](C)C[NH+](C)CC#CC[N@H+](C)C[C@@H](C)OC ZINC000796641733 581446909 /nfs/dbraw/zinc/44/69/09/581446909.db2.gz YYLOKZJRLHWKJG-ZIAGYGMSSA-N 2 1 256.390 0.923 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000730284699 581692160 /nfs/dbraw/zinc/69/21/60/581692160.db2.gz ZALIFVDLGNUHOH-GJZGRUSLSA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000730284699 581692162 /nfs/dbraw/zinc/69/21/62/581692162.db2.gz ZALIFVDLGNUHOH-GJZGRUSLSA-N 2 1 275.396 0.781 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000764052934 582029792 /nfs/dbraw/zinc/02/97/92/582029792.db2.gz KHKVONNAAGIRQZ-CQSZACIVSA-N 2 1 283.416 0.577 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000951749981 612990574 /nfs/dbraw/zinc/99/05/74/612990574.db2.gz MKVKCLVRBAHZKP-UKRRQHHQSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000951749981 612990575 /nfs/dbraw/zinc/99/05/75/612990575.db2.gz MKVKCLVRBAHZKP-UKRRQHHQSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000963626371 612954340 /nfs/dbraw/zinc/95/43/40/612954340.db2.gz XZACLHJAGBVVDG-JNJRBNHSSA-N 2 1 275.396 0.731 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000861634671 613073770 /nfs/dbraw/zinc/07/37/70/613073770.db2.gz PXERFTQGANGPRV-CQSZACIVSA-N 2 1 280.416 0.581 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000971947336 613081877 /nfs/dbraw/zinc/08/18/77/613081877.db2.gz SIAYSUMMUGMDPH-CYBMUJFWSA-N 2 1 260.341 0.357 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000971947336 613081878 /nfs/dbraw/zinc/08/18/78/613081878.db2.gz SIAYSUMMUGMDPH-CYBMUJFWSA-N 2 1 260.341 0.357 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978165047 613041096 /nfs/dbraw/zinc/04/10/96/613041096.db2.gz HZASTMODTVKVNV-QCODTGAPSA-N 2 1 289.423 0.644 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978165047 613041097 /nfs/dbraw/zinc/04/10/97/613041097.db2.gz HZASTMODTVKVNV-QCODTGAPSA-N 2 1 289.423 0.644 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978165047 613041098 /nfs/dbraw/zinc/04/10/98/613041098.db2.gz HZASTMODTVKVNV-QCODTGAPSA-N 2 1 289.423 0.644 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959918614 613044599 /nfs/dbraw/zinc/04/45/99/613044599.db2.gz GIGOXBDKGVQATO-CAOSSQGBSA-N 2 1 287.407 0.398 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000908436800 613072491 /nfs/dbraw/zinc/07/24/91/613072491.db2.gz UZIKALKVAMMLPV-UHFFFAOYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000841910461 613074475 /nfs/dbraw/zinc/07/44/75/613074475.db2.gz RFUWFVPUYXNONW-UONOGXRCSA-N 2 1 280.416 0.710 20 30 CCEDMP C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000886353382 613074799 /nfs/dbraw/zinc/07/47/99/613074799.db2.gz IEQXVTVMSBUKRU-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000886353382 613074800 /nfs/dbraw/zinc/07/48/00/613074800.db2.gz IEQXVTVMSBUKRU-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000886353382 613074803 /nfs/dbraw/zinc/07/48/03/613074803.db2.gz IEQXVTVMSBUKRU-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841909340 613076428 /nfs/dbraw/zinc/07/64/28/613076428.db2.gz CRBMZHPPVSVZJH-CHWSQXEVSA-N 2 1 266.389 0.511 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000972609903 613089705 /nfs/dbraw/zinc/08/97/05/613089705.db2.gz FSKGIFNYHDFQHF-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000914315671 613135336 /nfs/dbraw/zinc/13/53/36/613135336.db2.gz XJSIFJGMPCYXBW-AWEZNQCLSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000900667382 613135998 /nfs/dbraw/zinc/13/59/98/613135998.db2.gz OBQVXQBJRDKHAE-TZMCWYRMSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC000829583353 613166136 /nfs/dbraw/zinc/16/61/36/613166136.db2.gz ZWXKILOHIFOIKO-CQSZACIVSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC000829583353 613166137 /nfs/dbraw/zinc/16/61/37/613166137.db2.gz ZWXKILOHIFOIKO-CQSZACIVSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC2=CC[N@H+](C)CC2)C1 ZINC000890368006 613185036 /nfs/dbraw/zinc/18/50/36/613185036.db2.gz ZXPXGZDVQVLGHU-HNNXBMFYSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC2=CC[N@@H+](C)CC2)C1 ZINC000890368006 613185037 /nfs/dbraw/zinc/18/50/37/613185037.db2.gz ZXPXGZDVQVLGHU-HNNXBMFYSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2=CC[NH+](C)CC2)C1 ZINC000890368006 613185038 /nfs/dbraw/zinc/18/50/38/613185038.db2.gz ZXPXGZDVQVLGHU-HNNXBMFYSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2=CC[NH+](C)CC2)C1 ZINC000890368006 613185040 /nfs/dbraw/zinc/18/50/40/613185040.db2.gz ZXPXGZDVQVLGHU-HNNXBMFYSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884202513 613187028 /nfs/dbraw/zinc/18/70/28/613187028.db2.gz AAWJZLQWJLHEGE-UONOGXRCSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884202513 613187029 /nfs/dbraw/zinc/18/70/29/613187029.db2.gz AAWJZLQWJLHEGE-UONOGXRCSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000884202513 613187030 /nfs/dbraw/zinc/18/70/30/613187030.db2.gz AAWJZLQWJLHEGE-UONOGXRCSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000884202513 613187031 /nfs/dbraw/zinc/18/70/31/613187031.db2.gz AAWJZLQWJLHEGE-UONOGXRCSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000924034196 613187322 /nfs/dbraw/zinc/18/73/22/613187322.db2.gz BJSDSSGJVQRYTG-HZSPNIEDSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000924034196 613187324 /nfs/dbraw/zinc/18/73/24/613187324.db2.gz BJSDSSGJVQRYTG-HZSPNIEDSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000924034196 613187326 /nfs/dbraw/zinc/18/73/26/613187326.db2.gz BJSDSSGJVQRYTG-HZSPNIEDSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000924034196 613187327 /nfs/dbraw/zinc/18/73/27/613187327.db2.gz BJSDSSGJVQRYTG-HZSPNIEDSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827320068 613196808 /nfs/dbraw/zinc/19/68/08/613196808.db2.gz QQSBXETVVQEOGG-KFWWJZLASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827320068 613196809 /nfs/dbraw/zinc/19/68/09/613196809.db2.gz QQSBXETVVQEOGG-KFWWJZLASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000827320068 613196811 /nfs/dbraw/zinc/19/68/11/613196811.db2.gz QQSBXETVVQEOGG-KFWWJZLASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000827320068 613196812 /nfs/dbraw/zinc/19/68/12/613196812.db2.gz QQSBXETVVQEOGG-KFWWJZLASA-N 2 1 275.396 0.637 20 30 CCEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000980893152 613254199 /nfs/dbraw/zinc/25/41/99/613254199.db2.gz GSCDKZVGCNTPSL-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980893152 613254201 /nfs/dbraw/zinc/25/42/01/613254201.db2.gz GSCDKZVGCNTPSL-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893152 613254203 /nfs/dbraw/zinc/25/42/03/613254203.db2.gz GSCDKZVGCNTPSL-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980893152 613254204 /nfs/dbraw/zinc/25/42/04/613254204.db2.gz GSCDKZVGCNTPSL-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980893152 613254207 /nfs/dbraw/zinc/25/42/07/613254207.db2.gz GSCDKZVGCNTPSL-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971266126 613284557 /nfs/dbraw/zinc/28/45/57/613284557.db2.gz GISZAFRCQJMMHQ-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971266126 613284559 /nfs/dbraw/zinc/28/45/59/613284559.db2.gz GISZAFRCQJMMHQ-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971266126 613284561 /nfs/dbraw/zinc/28/45/61/613284561.db2.gz GISZAFRCQJMMHQ-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971266126 613284562 /nfs/dbraw/zinc/28/45/62/613284562.db2.gz GISZAFRCQJMMHQ-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946517236 613305730 /nfs/dbraw/zinc/30/57/30/613305730.db2.gz CIDSFMOXQTWOQB-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000960765719 613313294 /nfs/dbraw/zinc/31/32/94/613313294.db2.gz AKBUMXBDGVNJBI-WDNDVIMCSA-N 2 1 273.380 0.294 20 30 CCEDMP C#CCNC(=O)CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931315688 613326075 /nfs/dbraw/zinc/32/60/75/613326075.db2.gz ZGMROHVFDRBRKA-GJZGRUSLSA-N 2 1 263.385 0.400 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CCOC)CC1 ZINC000900683789 613363912 /nfs/dbraw/zinc/36/39/12/613363912.db2.gz CZBSGDSDUBUMAW-UHFFFAOYSA-N 2 1 269.389 0.285 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000876747157 613388002 /nfs/dbraw/zinc/38/80/02/613388002.db2.gz XLAMATADECKNQL-CMPLNLGQSA-N 2 1 289.807 0.541 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000876854288 613389205 /nfs/dbraw/zinc/38/92/05/613389205.db2.gz TZELGCWBYIFZPI-YUMQZZPRSA-N 2 1 267.707 0.522 20 30 CCEDMP C=CC[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442389 613412957 /nfs/dbraw/zinc/41/29/57/613412957.db2.gz FVZJQQCZPQQCGW-YNEHKIRRSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[C@H](C(=O)OC)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442389 613412959 /nfs/dbraw/zinc/41/29/59/613412959.db2.gz FVZJQQCZPQQCGW-YNEHKIRRSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[C@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442389 613412961 /nfs/dbraw/zinc/41/29/61/613412961.db2.gz FVZJQQCZPQQCGW-YNEHKIRRSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[C@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442389 613412962 /nfs/dbraw/zinc/41/29/62/613412962.db2.gz FVZJQQCZPQQCGW-YNEHKIRRSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[C@H](C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000883438838 613413857 /nfs/dbraw/zinc/41/38/57/613413857.db2.gz DJNJHFPZPLYIJC-RVMXOQNASA-N 2 1 265.357 0.818 20 30 CCEDMP CC#CCN(C)CC(=O)NC[C@H](C)[N@@H+](C)CC#CC ZINC000930590774 613524274 /nfs/dbraw/zinc/52/42/74/613524274.db2.gz YOCDHJYEWNXNHT-AWEZNQCLSA-N 2 1 263.385 0.401 20 30 CCEDMP CC#CCN(C)CC(=O)NC[C@H](C)N(C)CC#CC ZINC000930590774 613524277 /nfs/dbraw/zinc/52/42/77/613524277.db2.gz YOCDHJYEWNXNHT-AWEZNQCLSA-N 2 1 263.385 0.401 20 30 CCEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000923282757 613585569 /nfs/dbraw/zinc/58/55/69/613585569.db2.gz XQCNHHSXZJIVKQ-CHWSQXEVSA-N 2 1 269.389 0.100 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000959849902 613637812 /nfs/dbraw/zinc/63/78/12/613637812.db2.gz NGSMFUOTXIDDJQ-QXSJWSMHSA-N 2 1 289.423 0.929 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000959849902 613637815 /nfs/dbraw/zinc/63/78/15/613637815.db2.gz NGSMFUOTXIDDJQ-QXSJWSMHSA-N 2 1 289.423 0.929 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000959849902 613637817 /nfs/dbraw/zinc/63/78/17/613637817.db2.gz NGSMFUOTXIDDJQ-QXSJWSMHSA-N 2 1 289.423 0.929 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905096932 613675359 /nfs/dbraw/zinc/67/53/59/613675359.db2.gz NCARKJMIGHZTEK-CQSZACIVSA-N 2 1 284.400 0.129 20 30 CCEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC000968797493 613684283 /nfs/dbraw/zinc/68/42/83/613684283.db2.gz YCZXRWMPMYMTSM-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000968797493 613684284 /nfs/dbraw/zinc/68/42/84/613684284.db2.gz YCZXRWMPMYMTSM-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968797493 613684287 /nfs/dbraw/zinc/68/42/87/613684287.db2.gz YCZXRWMPMYMTSM-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968797493 613684289 /nfs/dbraw/zinc/68/42/89/613684289.db2.gz YCZXRWMPMYMTSM-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000980833789 613693293 /nfs/dbraw/zinc/69/32/93/613693293.db2.gz JOFDHIHWKYXPOV-CYBMUJFWSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000980833789 613693294 /nfs/dbraw/zinc/69/32/94/613693294.db2.gz JOFDHIHWKYXPOV-CYBMUJFWSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980833789 613693295 /nfs/dbraw/zinc/69/32/95/613693295.db2.gz JOFDHIHWKYXPOV-CYBMUJFWSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980833789 613693296 /nfs/dbraw/zinc/69/32/96/613693296.db2.gz JOFDHIHWKYXPOV-CYBMUJFWSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978149224 613834801 /nfs/dbraw/zinc/83/48/01/613834801.db2.gz VPIDTRHPRUPKDS-FPCVCCKLSA-N 2 1 289.423 0.808 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000961776663 613837627 /nfs/dbraw/zinc/83/76/27/613837627.db2.gz XAFFLEGTWJQWKQ-RMRHIDDWSA-N 2 1 263.385 0.703 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC000961776663 613837628 /nfs/dbraw/zinc/83/76/28/613837628.db2.gz XAFFLEGTWJQWKQ-RMRHIDDWSA-N 2 1 263.385 0.703 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC000961776663 613837629 /nfs/dbraw/zinc/83/76/29/613837629.db2.gz XAFFLEGTWJQWKQ-RMRHIDDWSA-N 2 1 263.385 0.703 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000969154371 613866131 /nfs/dbraw/zinc/86/61/31/613866131.db2.gz ITFNEZGZEXCIBW-LLVKDONJSA-N 2 1 278.356 0.726 20 30 CCEDMP CCC[N@@H+](CC)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884229580 614568940 /nfs/dbraw/zinc/56/89/40/614568940.db2.gz UWZAYKNLCWQSNB-BBBYJDLNSA-N 2 1 292.427 0.974 20 30 CCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000844194410 614664765 /nfs/dbraw/zinc/66/47/65/614664765.db2.gz GPDNOVWGFCRENH-GRYCIOLGSA-N 2 1 250.346 0.089 20 30 CCEDMP CC[N@@H+](CCNC(=O)C#CC1CC[NH2+]CC1)C(C)C ZINC000852865230 615047978 /nfs/dbraw/zinc/04/79/78/615047978.db2.gz WMDWNPDYRCQIPS-UHFFFAOYSA-N 2 1 265.401 0.836 20 30 CCEDMP C[N@@H+](CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)CC(C)(C)C ZINC000876801518 616049217 /nfs/dbraw/zinc/04/92/17/616049217.db2.gz DXSIKAPGSBEOOJ-QWRGUYRKSA-N 2 1 252.362 0.192 20 30 CCEDMP C[N@@H+](CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CC1 ZINC000884201153 616091188 /nfs/dbraw/zinc/09/11/88/616091188.db2.gz RFTSMKBGBXCBPF-AVERBVTBSA-N 2 1 276.384 0.336 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001022710611 622682080 /nfs/dbraw/zinc/68/20/80/622682080.db2.gz LLYWOVHPYDYPPE-UPJWGTAASA-N 2 1 251.374 0.894 20 30 CCEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024760776 623433690 /nfs/dbraw/zinc/43/36/90/623433690.db2.gz XOBAQMCEPIKMCD-AWEZNQCLSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024760776 623433693 /nfs/dbraw/zinc/43/36/93/623433693.db2.gz XOBAQMCEPIKMCD-AWEZNQCLSA-N 2 1 275.396 0.686 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001020589096 624543943 /nfs/dbraw/zinc/54/39/43/624543943.db2.gz WTSUMMCSJGBUGQ-JHJVBQTASA-N 2 1 251.374 0.751 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001027690740 630855632 /nfs/dbraw/zinc/85/56/32/630855632.db2.gz ILBBGWRIPHXXRO-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001027690740 630855638 /nfs/dbraw/zinc/85/56/38/630855638.db2.gz ILBBGWRIPHXXRO-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001027690740 630855642 /nfs/dbraw/zinc/85/56/42/630855642.db2.gz ILBBGWRIPHXXRO-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001027690740 630855647 /nfs/dbraw/zinc/85/56/47/630855647.db2.gz ILBBGWRIPHXXRO-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001027805712 630934669 /nfs/dbraw/zinc/93/46/69/630934669.db2.gz AVZYPRGAALNTBJ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027805712 630934677 /nfs/dbraw/zinc/93/46/77/630934677.db2.gz AVZYPRGAALNTBJ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027805712 630934684 /nfs/dbraw/zinc/93/46/84/630934684.db2.gz AVZYPRGAALNTBJ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027805712 630934692 /nfs/dbraw/zinc/93/46/92/630934692.db2.gz AVZYPRGAALNTBJ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027805712 630934698 /nfs/dbraw/zinc/93/46/98/630934698.db2.gz AVZYPRGAALNTBJ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C[NH+]=C(NCc1cnn(C)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083096719 630968363 /nfs/dbraw/zinc/96/83/63/630968363.db2.gz ZEPFEEICNKDILM-LBPRGKRZSA-N 2 1 276.388 0.322 20 30 CCEDMP C[NH+]=C(NCc1cnn(C)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083096719 630968369 /nfs/dbraw/zinc/96/83/69/630968369.db2.gz ZEPFEEICNKDILM-LBPRGKRZSA-N 2 1 276.388 0.322 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(O)CCCC1 ZINC000262007365 631751961 /nfs/dbraw/zinc/75/19/61/631751961.db2.gz SACYPCSHRNXVQW-GFCCVEGCSA-N 2 1 268.405 0.680 20 30 CCEDMP C[C@@H](CNC(=[NH2+])N1CCSCC1)[N@@H+](C)C1CC1 ZINC000303969638 632500590 /nfs/dbraw/zinc/50/05/90/632500590.db2.gz BVYNVUQHMFBSTC-JTQLQIEISA-N 2 1 256.419 0.833 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC000986353702 632745514 /nfs/dbraw/zinc/74/55/14/632745514.db2.gz JDPQZMZHVSISNX-OCCSQVGLSA-N 2 1 263.385 0.683 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008412517 650113816 /nfs/dbraw/zinc/11/38/16/650113816.db2.gz PZFIGKGBYHBTGC-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008412517 650113818 /nfs/dbraw/zinc/11/38/18/650113818.db2.gz PZFIGKGBYHBTGC-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001009597832 650150865 /nfs/dbraw/zinc/15/08/65/650150865.db2.gz YCEMOBYRYJWHMD-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001009597832 650150867 /nfs/dbraw/zinc/15/08/67/650150867.db2.gz YCEMOBYRYJWHMD-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009597832 650150869 /nfs/dbraw/zinc/15/08/69/650150869.db2.gz YCEMOBYRYJWHMD-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009597832 650150871 /nfs/dbraw/zinc/15/08/71/650150871.db2.gz YCEMOBYRYJWHMD-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])NC2CCCCC2)CC1 ZINC000170912691 637105637 /nfs/dbraw/zinc/10/56/37/637105637.db2.gz LHVNXLHRHOQAMT-UHFFFAOYSA-N 2 1 295.431 0.388 20 30 CCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992473978 637442280 /nfs/dbraw/zinc/44/22/80/637442280.db2.gz GNRLZHDYTUPSLD-IJEWVQPXSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992473978 637442282 /nfs/dbraw/zinc/44/22/82/637442282.db2.gz GNRLZHDYTUPSLD-IJEWVQPXSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992473978 637442285 /nfs/dbraw/zinc/44/22/85/637442285.db2.gz GNRLZHDYTUPSLD-IJEWVQPXSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992497240 637456109 /nfs/dbraw/zinc/45/61/09/637456109.db2.gz ZIAWFJKENXBJHB-GOEBONIOSA-N 2 1 275.396 0.829 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992497240 637456115 /nfs/dbraw/zinc/45/61/15/637456115.db2.gz ZIAWFJKENXBJHB-GOEBONIOSA-N 2 1 275.396 0.829 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014468633 650453830 /nfs/dbraw/zinc/45/38/30/650453830.db2.gz QDICQXVUJDWCFV-UONOGXRCSA-N 2 1 263.385 0.705 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998725074 638936538 /nfs/dbraw/zinc/93/65/38/638936538.db2.gz VKTWZLOSNZKCED-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999497888 638983095 /nfs/dbraw/zinc/98/30/95/638983095.db2.gz SECGLALLNXLHAT-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999497888 638983098 /nfs/dbraw/zinc/98/30/98/638983098.db2.gz SECGLALLNXLHAT-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999828074 639005458 /nfs/dbraw/zinc/00/54/58/639005458.db2.gz CFOXOBPFQCNICD-HIFPTAJRSA-N 2 1 251.374 0.703 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999997729 639030853 /nfs/dbraw/zinc/03/08/53/639030853.db2.gz HTXWYCQRJGJWQX-CABCVRRESA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999997729 639030858 /nfs/dbraw/zinc/03/08/58/639030858.db2.gz HTXWYCQRJGJWQX-CABCVRRESA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000545727 639118145 /nfs/dbraw/zinc/11/81/45/639118145.db2.gz BBRYWNKQFVFXMU-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000545727 639118147 /nfs/dbraw/zinc/11/81/47/639118147.db2.gz BBRYWNKQFVFXMU-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001000545727 639118150 /nfs/dbraw/zinc/11/81/50/639118150.db2.gz BBRYWNKQFVFXMU-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001000545727 639118152 /nfs/dbraw/zinc/11/81/52/639118152.db2.gz BBRYWNKQFVFXMU-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001000547348 639118275 /nfs/dbraw/zinc/11/82/75/639118275.db2.gz LZDOWHWXMRJVMX-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001000547348 639118277 /nfs/dbraw/zinc/11/82/77/639118277.db2.gz LZDOWHWXMRJVMX-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000547348 639118282 /nfs/dbraw/zinc/11/82/82/639118282.db2.gz LZDOWHWXMRJVMX-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000547348 639118284 /nfs/dbraw/zinc/11/82/84/639118284.db2.gz LZDOWHWXMRJVMX-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001003015288 639495406 /nfs/dbraw/zinc/49/54/06/639495406.db2.gz CILDWRNOYUONDQ-AWEZNQCLSA-N 2 1 286.379 0.974 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001003630916 639580815 /nfs/dbraw/zinc/58/08/15/639580815.db2.gz QIKQRXLVRYCZGE-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015607462 650590986 /nfs/dbraw/zinc/59/09/86/650590986.db2.gz KXSKWZKKPLCPFY-LSDHHAIUSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015607462 650590990 /nfs/dbraw/zinc/59/09/90/650590990.db2.gz KXSKWZKKPLCPFY-LSDHHAIUSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607462 650590993 /nfs/dbraw/zinc/59/09/93/650590993.db2.gz KXSKWZKKPLCPFY-LSDHHAIUSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607462 650590996 /nfs/dbraw/zinc/59/09/96/650590996.db2.gz KXSKWZKKPLCPFY-LSDHHAIUSA-N 2 1 293.411 0.309 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015700836 650611457 /nfs/dbraw/zinc/61/14/57/650611457.db2.gz BQAGTQPSNWRXQY-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015700836 650611459 /nfs/dbraw/zinc/61/14/59/650611459.db2.gz BQAGTQPSNWRXQY-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015700836 650611460 /nfs/dbraw/zinc/61/14/60/650611460.db2.gz BQAGTQPSNWRXQY-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015702071 650612058 /nfs/dbraw/zinc/61/20/58/650612058.db2.gz LLYRSENFZHUQSG-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015702071 650612060 /nfs/dbraw/zinc/61/20/60/650612060.db2.gz LLYRSENFZHUQSG-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015702071 650612064 /nfs/dbraw/zinc/61/20/64/650612064.db2.gz LLYRSENFZHUQSG-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015705952 650613253 /nfs/dbraw/zinc/61/32/53/650613253.db2.gz QWHBLFRNKONRLU-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015705952 650613255 /nfs/dbraw/zinc/61/32/55/650613255.db2.gz QWHBLFRNKONRLU-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015705952 650613257 /nfs/dbraw/zinc/61/32/57/650613257.db2.gz QWHBLFRNKONRLU-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015705952 650613261 /nfs/dbraw/zinc/61/32/61/650613261.db2.gz QWHBLFRNKONRLU-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#C[C@@](C)(CC)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000818028621 641290637 /nfs/dbraw/zinc/29/06/37/641290637.db2.gz NLUHLFUVAGUWBG-AWEZNQCLSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001016328467 650718697 /nfs/dbraw/zinc/71/86/97/650718697.db2.gz CRRDILMWXPNAKB-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016970330 650774771 /nfs/dbraw/zinc/77/47/71/650774771.db2.gz TWMHLQGMCTWHJB-LSDHHAIUSA-N 2 1 289.423 0.932 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000852859702 644027288 /nfs/dbraw/zinc/02/72/88/644027288.db2.gz XXNXNRGWPAHNOQ-LSDHHAIUSA-N 2 1 275.396 0.732 20 30 CCEDMP C[C@@H]1CC[N@@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884227474 647671888 /nfs/dbraw/zinc/67/18/88/647671888.db2.gz QHQXRXIJJZVXAQ-RXFTYZNJSA-N 2 1 290.411 0.584 20 30 CCEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436849 648989263 /nfs/dbraw/zinc/98/92/63/648989263.db2.gz NMUJJNQIMASJHT-MELADBBJSA-N 2 1 290.411 0.821 20 30 CCEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436849 648989267 /nfs/dbraw/zinc/98/92/67/648989267.db2.gz NMUJJNQIMASJHT-MELADBBJSA-N 2 1 290.411 0.821 20 30 CCEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436849 648989271 /nfs/dbraw/zinc/98/92/71/648989271.db2.gz NMUJJNQIMASJHT-MELADBBJSA-N 2 1 290.411 0.821 20 30 CCEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436849 648989274 /nfs/dbraw/zinc/98/92/74/648989274.db2.gz NMUJJNQIMASJHT-MELADBBJSA-N 2 1 290.411 0.821 20 30 CCEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001006431933 649377759 /nfs/dbraw/zinc/37/77/59/649377759.db2.gz SIEARQRRQYBXPG-HNNXBMFYSA-N 2 1 295.427 0.816 20 30 CCEDMP C[NH+]=C(NCc1nc(C)no1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083093803 649604095 /nfs/dbraw/zinc/60/40/95/649604095.db2.gz WBIPUIHIBBFOKK-JTQLQIEISA-N 2 1 278.360 0.280 20 30 CCEDMP C[NH+]=C(NCc1nc(C)no1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083093803 649604098 /nfs/dbraw/zinc/60/40/98/649604098.db2.gz WBIPUIHIBBFOKK-JTQLQIEISA-N 2 1 278.360 0.280 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303701026 649824103 /nfs/dbraw/zinc/82/41/03/649824103.db2.gz HWZRPTHQCOLOBD-KBPBESRZSA-N 3 1 281.448 0.859 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303882321 649826239 /nfs/dbraw/zinc/82/62/39/649826239.db2.gz LHWODMXLTVJKKQ-KBPBESRZSA-N 2 1 281.448 0.715 20 30 CCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C1CC1)N(C)C ZINC000303882321 649826240 /nfs/dbraw/zinc/82/62/40/649826240.db2.gz LHWODMXLTVJKKQ-KBPBESRZSA-N 2 1 281.448 0.715 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C1CC1)N(C)C ZINC000303882321 649826242 /nfs/dbraw/zinc/82/62/42/649826242.db2.gz LHWODMXLTVJKKQ-KBPBESRZSA-N 2 1 281.448 0.715 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000305048273 649840843 /nfs/dbraw/zinc/84/08/43/649840843.db2.gz ZCNYNMBCNLVOIM-OLZOCXBDSA-N 2 1 270.421 0.904 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001039041711 790450006 /nfs/dbraw/zinc/45/00/06/790450006.db2.gz AINISOXDFJTDHL-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001039041711 790450013 /nfs/dbraw/zinc/45/00/13/790450013.db2.gz AINISOXDFJTDHL-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039041711 790450023 /nfs/dbraw/zinc/45/00/23/790450023.db2.gz AINISOXDFJTDHL-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039041711 790450026 /nfs/dbraw/zinc/45/00/26/790450026.db2.gz AINISOXDFJTDHL-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266346830 790558593 /nfs/dbraw/zinc/55/85/93/790558593.db2.gz CVQQJYVZPDJCDT-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP CC#CC[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266346830 790558605 /nfs/dbraw/zinc/55/86/05/790558605.db2.gz CVQQJYVZPDJCDT-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP CC#CC[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266346830 790558616 /nfs/dbraw/zinc/55/86/16/790558616.db2.gz CVQQJYVZPDJCDT-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001266411770 790657108 /nfs/dbraw/zinc/65/71/08/790657108.db2.gz DLYMSXNQXLJJAQ-CQSZACIVSA-N 2 1 263.385 0.588 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001266437809 790703246 /nfs/dbraw/zinc/70/32/46/790703246.db2.gz MRQNVVKJOHJBGJ-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210147096 790802371 /nfs/dbraw/zinc/80/23/71/790802371.db2.gz ZGGZGBLCXSBKLX-OAHLLOKOSA-N 2 1 293.411 0.313 20 30 CCEDMP CC#CC[N@H+](CCC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266559091 790927160 /nfs/dbraw/zinc/92/71/60/790927160.db2.gz ZIMOPOXRQFEWGV-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[N@@H+](CCC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266559091 790927165 /nfs/dbraw/zinc/92/71/65/790927165.db2.gz ZIMOPOXRQFEWGV-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266559091 790927170 /nfs/dbraw/zinc/92/71/70/790927170.db2.gz ZIMOPOXRQFEWGV-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266559091 790927174 /nfs/dbraw/zinc/92/71/74/790927174.db2.gz ZIMOPOXRQFEWGV-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001266577777 790958102 /nfs/dbraw/zinc/95/81/02/790958102.db2.gz YVWQBMANVXPCRX-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001266577777 790958113 /nfs/dbraw/zinc/95/81/13/790958113.db2.gz YVWQBMANVXPCRX-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001266577777 790958123 /nfs/dbraw/zinc/95/81/23/790958123.db2.gz YVWQBMANVXPCRX-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCC[N@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001266596720 791001586 /nfs/dbraw/zinc/00/15/86/791001586.db2.gz LUAZUSJHLZUPKB-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001267056690 791485704 /nfs/dbraw/zinc/48/57/04/791485704.db2.gz SNWAUOOEWKVKMF-KKUMJFAQSA-N 2 1 277.412 0.788 20 30 CCEDMP N#CCc1ccccc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234989945 806335360 /nfs/dbraw/zinc/33/53/60/806335360.db2.gz NPSNBYPVTHYEHA-INIZCTEOSA-N 2 1 270.380 0.890 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001246058911 807136454 /nfs/dbraw/zinc/13/64/54/807136454.db2.gz HRODHPGNIVIJEO-MCIONIFRSA-N 2 1 254.374 0.624 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)CC1 ZINC001121293299 799028087 /nfs/dbraw/zinc/02/80/87/799028087.db2.gz ZFNTXTSOKZEKJW-BZUAXINKSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[NH2+]CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001121914496 799092239 /nfs/dbraw/zinc/09/22/39/799092239.db2.gz VJCRTGOUQZSGJD-CYBMUJFWSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001121914496 799092245 /nfs/dbraw/zinc/09/22/45/799092245.db2.gz VJCRTGOUQZSGJD-CYBMUJFWSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)CCc2ncc[nH]2)C1 ZINC001149654372 800287849 /nfs/dbraw/zinc/28/78/49/800287849.db2.gz WDWFRAFVJOLSES-CYBMUJFWSA-N 2 1 290.367 0.183 20 30 CCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001150318847 800330215 /nfs/dbraw/zinc/33/02/15/800330215.db2.gz VDBIKUARNVVDDZ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001150318847 800330222 /nfs/dbraw/zinc/33/02/22/800330222.db2.gz VDBIKUARNVVDDZ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001150318847 800330229 /nfs/dbraw/zinc/33/02/29/800330229.db2.gz VDBIKUARNVVDDZ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480284 800337499 /nfs/dbraw/zinc/33/74/99/800337499.db2.gz JZEROGFQFAEUKY-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480284 800337504 /nfs/dbraw/zinc/33/75/04/800337504.db2.gz JZEROGFQFAEUKY-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150772398 800367490 /nfs/dbraw/zinc/36/74/90/800367490.db2.gz SAUVYKGGMGZZAP-CQSZACIVSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150772398 800367497 /nfs/dbraw/zinc/36/74/97/800367497.db2.gz SAUVYKGGMGZZAP-CQSZACIVSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150772398 800367504 /nfs/dbraw/zinc/36/75/04/800367504.db2.gz SAUVYKGGMGZZAP-CQSZACIVSA-N 2 1 283.416 0.720 20 30 CCEDMP Cc1nc(C#N)cc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155381599 800962397 /nfs/dbraw/zinc/96/23/97/800962397.db2.gz GWWSNCHGOKJPNM-CQSZACIVSA-N 2 1 286.383 0.516 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156146158 801116623 /nfs/dbraw/zinc/11/66/23/801116623.db2.gz UXDMWBJKVIMKKW-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156146158 801116627 /nfs/dbraw/zinc/11/66/27/801116627.db2.gz UXDMWBJKVIMKKW-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP N#Cc1nc(Cl)cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157094787 801299246 /nfs/dbraw/zinc/29/92/46/801299246.db2.gz WADJJBXVWYZLIU-UHFFFAOYSA-N 2 1 267.724 0.677 20 30 CCEDMP N#Cc1ccc2c(c1)CCN(C(=O)C[NH2+]C1CC[NH2+]CC1)C2 ZINC001157937198 801532376 /nfs/dbraw/zinc/53/23/76/801532376.db2.gz QBMAIGLTJGZDDS-UHFFFAOYSA-N 2 1 298.390 0.785 20 30 CCEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001159725851 801855119 /nfs/dbraw/zinc/85/51/19/801855119.db2.gz PAKISNBVBFQCRT-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001159725851 801855126 /nfs/dbraw/zinc/85/51/26/801855126.db2.gz PAKISNBVBFQCRT-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159725851 801855133 /nfs/dbraw/zinc/85/51/33/801855133.db2.gz PAKISNBVBFQCRT-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159725851 801855141 /nfs/dbraw/zinc/85/51/41/801855141.db2.gz PAKISNBVBFQCRT-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCOCC ZINC001160209841 801920077 /nfs/dbraw/zinc/92/00/77/801920077.db2.gz YLUFEONJFOOMFQ-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCOCC ZINC001160209841 801920084 /nfs/dbraw/zinc/92/00/84/801920084.db2.gz YLUFEONJFOOMFQ-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H]1C ZINC001278316552 806946317 /nfs/dbraw/zinc/94/63/17/806946317.db2.gz SUXXRLCWFGLUTN-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP N#Cc1cccnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160508439 801953759 /nfs/dbraw/zinc/95/37/59/801953759.db2.gz GQQYNKJMEGOTNV-AWEZNQCLSA-N 2 1 257.341 0.788 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160861971 802035689 /nfs/dbraw/zinc/03/56/89/802035689.db2.gz FESZIVLKGOAEKW-KGLIPLIRSA-N 2 1 263.385 0.732 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166626426 802925814 /nfs/dbraw/zinc/92/58/14/802925814.db2.gz GPJAIWIRXXGHPO-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207698322 803438528 /nfs/dbraw/zinc/43/85/28/803438528.db2.gz YQSMOAMCQUJUQD-MGPQQGTHSA-N 2 1 265.401 0.786 20 30 CCEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207733951 803443083 /nfs/dbraw/zinc/44/30/83/803443083.db2.gz BONIMSSPZUJPDW-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207733951 803443086 /nfs/dbraw/zinc/44/30/86/803443086.db2.gz BONIMSSPZUJPDW-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001276562950 803496091 /nfs/dbraw/zinc/49/60/91/803496091.db2.gz JPTTUFATHBSGCL-LSDHHAIUSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001276562950 803496095 /nfs/dbraw/zinc/49/60/95/803496095.db2.gz JPTTUFATHBSGCL-LSDHHAIUSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425671 803513178 /nfs/dbraw/zinc/51/31/78/803513178.db2.gz SLXYVNBMGOTXPG-CHWSQXEVSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209835832 803631818 /nfs/dbraw/zinc/63/18/18/803631818.db2.gz AVIKBKJEACGVKZ-UKRRQHHQSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315436 803647738 /nfs/dbraw/zinc/64/77/38/803647738.db2.gz PFIGUUZZNHORJJ-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378554 803692753 /nfs/dbraw/zinc/69/27/53/803692753.db2.gz WFTHBDQPUWIANS-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP N#Cc1ccc([C@H](O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000402166562 803815078 /nfs/dbraw/zinc/81/50/78/803815078.db2.gz RVCPUHYUCFVQIB-RBSFLKMASA-N 2 1 257.337 0.743 20 30 CCEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600971 804030087 /nfs/dbraw/zinc/03/00/87/804030087.db2.gz VNGBHFJAOFJZSZ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830248 804429069 /nfs/dbraw/zinc/42/90/69/804429069.db2.gz SUMHOIGHBRKCTJ-ZNMIVQPWSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830248 804429073 /nfs/dbraw/zinc/42/90/73/804429073.db2.gz SUMHOIGHBRKCTJ-ZNMIVQPWSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830248 804429077 /nfs/dbraw/zinc/42/90/77/804429077.db2.gz SUMHOIGHBRKCTJ-ZNMIVQPWSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220578434 804629343 /nfs/dbraw/zinc/62/93/43/804629343.db2.gz BKBKBPOFZVKAMX-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220578434 804629347 /nfs/dbraw/zinc/62/93/47/804629347.db2.gz BKBKBPOFZVKAMX-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220868152 804684259 /nfs/dbraw/zinc/68/42/59/804684259.db2.gz COGJUFCKXMWSGA-KBPBESRZSA-N 3 1 282.432 0.599 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916933 804997875 /nfs/dbraw/zinc/99/78/75/804997875.db2.gz UTIXGAFKLNJNDI-CABCVRRESA-N 2 1 293.411 0.121 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001277158465 805287796 /nfs/dbraw/zinc/28/77/96/805287796.db2.gz STJZAZUAWQUCOE-CYBMUJFWSA-N 2 1 286.379 0.626 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001229895686 805566528 /nfs/dbraw/zinc/56/65/28/805566528.db2.gz MYTFSEPWOBKLMZ-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246021447 807120737 /nfs/dbraw/zinc/12/07/37/807120737.db2.gz MOXLXMJVUCQPAI-KBPBESRZSA-N 2 1 254.374 0.448 20 30 CCEDMP N#C[C@@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN1 ZINC001246152476 807169065 /nfs/dbraw/zinc/16/90/65/807169065.db2.gz ZARDGHYBGCWIAF-IHRRRGAJSA-N 2 1 277.416 0.094 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC001246310029 807218914 /nfs/dbraw/zinc/21/89/14/807218914.db2.gz YCYCSBGJZQOKIF-KBPBESRZSA-N 3 1 283.416 0.945 20 30 CCEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001278444036 807237841 /nfs/dbraw/zinc/23/78/41/807237841.db2.gz NKPZMDMAZUBJSH-HNNXBMFYSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001278444036 807237847 /nfs/dbraw/zinc/23/78/47/807237847.db2.gz NKPZMDMAZUBJSH-HNNXBMFYSA-N 2 1 274.368 0.795 20 30 CCEDMP C[C@@H]1C[N@H+]([C@@H]2CCN[C@H](C#N)C2)CCC[C@@H]1C[NH3+] ZINC001246563935 807293533 /nfs/dbraw/zinc/29/35/33/807293533.db2.gz WCXVQEFNUGWSTO-YIYPIFLZSA-N 2 1 250.390 0.937 20 30 CCEDMP C#CCOC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001251857910 807724597 /nfs/dbraw/zinc/72/45/97/807724597.db2.gz MZEGFHLBIFJVCU-HNNXBMFYSA-N 2 1 280.412 0.947 20 30 CCEDMP C=CCOC[C@H](O)C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001252462079 807875362 /nfs/dbraw/zinc/87/53/62/807875362.db2.gz CHRZCENBFSCVCV-CYBMUJFWSA-N 2 1 297.399 0.680 20 30 CCEDMP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001252488220 807890873 /nfs/dbraw/zinc/89/08/73/807890873.db2.gz IGPSRLQDGSWUFR-AWEZNQCLSA-N 2 1 254.374 0.766 20 30 CCEDMP C=CCC[C@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001252617646 807920688 /nfs/dbraw/zinc/92/06/88/807920688.db2.gz HQQSUGKUSPWRHS-AWEZNQCLSA-N 2 1 255.406 0.541 20 30 CCEDMP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001278689655 807994103 /nfs/dbraw/zinc/99/41/03/807994103.db2.gz GBZZZSXPSMUPRG-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001278728121 808077143 /nfs/dbraw/zinc/07/71/43/808077143.db2.gz BOGMYRSUQJSZDG-CQSZACIVSA-N 2 1 293.411 0.216 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001278816343 808281867 /nfs/dbraw/zinc/28/18/67/808281867.db2.gz QFQZCBBIECZKKT-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001278816343 808281871 /nfs/dbraw/zinc/28/18/71/808281871.db2.gz QFQZCBBIECZKKT-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001278816343 808281878 /nfs/dbraw/zinc/28/18/78/808281878.db2.gz QFQZCBBIECZKKT-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001264566800 809663276 /nfs/dbraw/zinc/66/32/76/809663276.db2.gz IHJOJKQGEVGROR-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001265146034 809716307 /nfs/dbraw/zinc/71/63/07/809716307.db2.gz KFKZVZWQQOVSGA-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001265146034 809716312 /nfs/dbraw/zinc/71/63/12/809716312.db2.gz KFKZVZWQQOVSGA-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001265146034 809716316 /nfs/dbraw/zinc/71/63/16/809716316.db2.gz KFKZVZWQQOVSGA-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001265370319 809767207 /nfs/dbraw/zinc/76/72/07/809767207.db2.gz OUHQNAFYIZTKPU-GXTWGEPZSA-N 2 1 263.385 0.446 20 30 CCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001266027988 809920344 /nfs/dbraw/zinc/92/03/44/809920344.db2.gz FBJASEGMTDODAD-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001266027988 809920346 /nfs/dbraw/zinc/92/03/46/809920346.db2.gz FBJASEGMTDODAD-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001266027988 809920351 /nfs/dbraw/zinc/92/03/51/809920351.db2.gz FBJASEGMTDODAD-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001100676346 811342111 /nfs/dbraw/zinc/34/21/11/811342111.db2.gz LRLUDMCXKRJNOU-WLYUNCDWSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083273827 811424734 /nfs/dbraw/zinc/42/47/34/811424734.db2.gz JXCWTRLGFSNBHJ-MELADBBJSA-N 2 1 279.384 0.036 20 30 CCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083273827 811424743 /nfs/dbraw/zinc/42/47/43/811424743.db2.gz JXCWTRLGFSNBHJ-MELADBBJSA-N 2 1 279.384 0.036 20 30 CCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083273827 811424752 /nfs/dbraw/zinc/42/47/52/811424752.db2.gz JXCWTRLGFSNBHJ-MELADBBJSA-N 2 1 279.384 0.036 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083273827 811424756 /nfs/dbraw/zinc/42/47/56/811424756.db2.gz JXCWTRLGFSNBHJ-MELADBBJSA-N 2 1 279.384 0.036 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001267570485 811458108 /nfs/dbraw/zinc/45/81/08/811458108.db2.gz AQJHBJDARSVXGL-OAHLLOKOSA-N 2 1 277.412 0.934 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077300144 815476665 /nfs/dbraw/zinc/47/66/65/815476665.db2.gz ZEMJRIJDMYYMQJ-ZIAGYGMSSA-N 2 1 293.411 0.352 20 30 CCEDMP C#CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267948850 811883420 /nfs/dbraw/zinc/88/34/20/811883420.db2.gz WLILSTAOUOSXQI-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001268025613 811995085 /nfs/dbraw/zinc/99/50/85/811995085.db2.gz DZKDKDFWZZXFFL-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001268025613 811995088 /nfs/dbraw/zinc/99/50/88/811995088.db2.gz DZKDKDFWZZXFFL-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001268089257 812228782 /nfs/dbraw/zinc/22/87/82/812228782.db2.gz FSUGKLILBPOGTO-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCN(C)CCN(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001268239263 812407007 /nfs/dbraw/zinc/40/70/07/812407007.db2.gz AIMOATRMZRPQDW-CYBMUJFWSA-N 2 1 274.368 0.469 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028266599 812533369 /nfs/dbraw/zinc/53/33/69/812533369.db2.gz XXQSCPFRRYNSCF-CQSZACIVSA-N 2 1 275.396 0.686 20 30 CCEDMP COCC#CC[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001268424545 812559813 /nfs/dbraw/zinc/55/98/13/812559813.db2.gz WHBFPQIWULYXQM-CYBMUJFWSA-N 2 1 292.383 0.326 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001028329473 812623749 /nfs/dbraw/zinc/62/37/49/812623749.db2.gz MCZSQEORJMAESQ-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001028329473 812623753 /nfs/dbraw/zinc/62/37/53/812623753.db2.gz MCZSQEORJMAESQ-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329473 812623757 /nfs/dbraw/zinc/62/37/57/812623757.db2.gz MCZSQEORJMAESQ-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329473 812623762 /nfs/dbraw/zinc/62/37/62/812623762.db2.gz MCZSQEORJMAESQ-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC001075644773 812780206 /nfs/dbraw/zinc/78/02/06/812780206.db2.gz AIGBTYFFWUTDGU-BFHYXJOUSA-N 2 1 279.384 0.036 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC=C ZINC001268733521 813049802 /nfs/dbraw/zinc/04/98/02/813049802.db2.gz HZNZEYGBHAQOSQ-KBPBESRZSA-N 2 1 263.385 0.707 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC=C ZINC001268733521 813049814 /nfs/dbraw/zinc/04/98/14/813049814.db2.gz HZNZEYGBHAQOSQ-KBPBESRZSA-N 2 1 263.385 0.707 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC=C ZINC001268733521 813049822 /nfs/dbraw/zinc/04/98/22/813049822.db2.gz HZNZEYGBHAQOSQ-KBPBESRZSA-N 2 1 263.385 0.707 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC=C ZINC001268733521 813049841 /nfs/dbraw/zinc/04/98/41/813049841.db2.gz HZNZEYGBHAQOSQ-KBPBESRZSA-N 2 1 263.385 0.707 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001028636851 813075235 /nfs/dbraw/zinc/07/52/35/813075235.db2.gz ROULNWRYDGAQIG-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028636851 813075244 /nfs/dbraw/zinc/07/52/44/813075244.db2.gz ROULNWRYDGAQIG-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028636851 813075254 /nfs/dbraw/zinc/07/52/54/813075254.db2.gz ROULNWRYDGAQIG-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP COCC#CC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268916172 813145633 /nfs/dbraw/zinc/14/56/33/813145633.db2.gz ZZPFKJWSPVPCTE-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001268965797 813161819 /nfs/dbraw/zinc/16/18/19/813161819.db2.gz WMEWQAFTYSZHPR-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028658630 813175318 /nfs/dbraw/zinc/17/53/18/813175318.db2.gz BJUYQGISMMSYFQ-CQSZACIVSA-N 2 1 275.396 0.686 20 30 CCEDMP COCC#CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001269489334 813390357 /nfs/dbraw/zinc/39/03/57/813390357.db2.gz MYVFFCGMTONHHR-AWEZNQCLSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001269511418 813397935 /nfs/dbraw/zinc/39/79/35/813397935.db2.gz YAUXZXMABKAAOI-CHWSQXEVSA-N 2 1 251.374 0.446 20 30 CCEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028986938 813726472 /nfs/dbraw/zinc/72/64/72/813726472.db2.gz VBXZQRRPZQVZDS-OLZOCXBDSA-N 2 1 251.374 0.562 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028986938 813726475 /nfs/dbraw/zinc/72/64/75/813726475.db2.gz VBXZQRRPZQVZDS-OLZOCXBDSA-N 2 1 251.374 0.562 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028986938 813726481 /nfs/dbraw/zinc/72/64/81/813726481.db2.gz VBXZQRRPZQVZDS-OLZOCXBDSA-N 2 1 251.374 0.562 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836687 814229245 /nfs/dbraw/zinc/22/92/45/814229245.db2.gz DNGSYDKHAWDGNZ-ZNMIVQPWSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836687 814229251 /nfs/dbraw/zinc/22/92/51/814229251.db2.gz DNGSYDKHAWDGNZ-ZNMIVQPWSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001087836687 814229257 /nfs/dbraw/zinc/22/92/57/814229257.db2.gz DNGSYDKHAWDGNZ-ZNMIVQPWSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001087836687 814229262 /nfs/dbraw/zinc/22/92/62/814229262.db2.gz DNGSYDKHAWDGNZ-ZNMIVQPWSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001088424872 814682097 /nfs/dbraw/zinc/68/20/97/814682097.db2.gz HVGLUNHTYNIHRI-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031689051 817245468 /nfs/dbraw/zinc/24/54/68/817245468.db2.gz QQJONMAHOOXASF-CABCVRRESA-N 2 1 293.411 0.474 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001047380566 817435530 /nfs/dbraw/zinc/43/55/30/817435530.db2.gz PHBWXBQOKLBMCD-ILXRZTDVSA-N 2 1 295.427 0.549 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047380566 817435537 /nfs/dbraw/zinc/43/55/37/817435537.db2.gz PHBWXBQOKLBMCD-ILXRZTDVSA-N 2 1 295.427 0.549 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047380566 817435543 /nfs/dbraw/zinc/43/55/43/817435543.db2.gz PHBWXBQOKLBMCD-ILXRZTDVSA-N 2 1 295.427 0.549 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047380566 817435551 /nfs/dbraw/zinc/43/55/51/817435551.db2.gz PHBWXBQOKLBMCD-ILXRZTDVSA-N 2 1 295.427 0.549 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001032204959 817700982 /nfs/dbraw/zinc/70/09/82/817700982.db2.gz KLVUOMCMJMOGAY-UHFFFAOYSA-N 2 1 273.380 0.013 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC#C)C1 ZINC001033154288 818580779 /nfs/dbraw/zinc/58/07/79/818580779.db2.gz OJUVNUSFMOUYRE-CABCVRRESA-N 2 1 273.380 0.250 20 30 CCEDMP C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2CC#C)C1 ZINC001033154288 818580785 /nfs/dbraw/zinc/58/07/85/818580785.db2.gz OJUVNUSFMOUYRE-CABCVRRESA-N 2 1 273.380 0.250 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC=C)CCC1 ZINC001273099798 818605130 /nfs/dbraw/zinc/60/51/30/818605130.db2.gz CRYKREWRVVVDBT-AWEZNQCLSA-N 2 1 275.396 0.899 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC=C)CCC1 ZINC001273099798 818605133 /nfs/dbraw/zinc/60/51/33/818605133.db2.gz CRYKREWRVVVDBT-AWEZNQCLSA-N 2 1 275.396 0.899 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033662220 818882324 /nfs/dbraw/zinc/88/23/24/818882324.db2.gz PAEOMQKAAQMWLW-CHWSQXEVSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033662220 818882329 /nfs/dbraw/zinc/88/23/29/818882329.db2.gz PAEOMQKAAQMWLW-CHWSQXEVSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033662220 818882336 /nfs/dbraw/zinc/88/23/36/818882336.db2.gz PAEOMQKAAQMWLW-CHWSQXEVSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001033786851 818935138 /nfs/dbraw/zinc/93/51/38/818935138.db2.gz ACESVRWGDYFMKT-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001034048256 819044235 /nfs/dbraw/zinc/04/42/35/819044235.db2.gz NRBMTHCJRKZLQX-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034048256 819044239 /nfs/dbraw/zinc/04/42/39/819044239.db2.gz NRBMTHCJRKZLQX-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034048256 819044243 /nfs/dbraw/zinc/04/42/43/819044243.db2.gz NRBMTHCJRKZLQX-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048256 819044251 /nfs/dbraw/zinc/04/42/51/819044251.db2.gz NRBMTHCJRKZLQX-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034738459 819318757 /nfs/dbraw/zinc/31/87/57/819318757.db2.gz SYUPYJATWKXKGJ-KBUPBQIOSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001036218390 819713290 /nfs/dbraw/zinc/71/32/90/819713290.db2.gz KRCGSKJEMSYNOJ-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079493600 820412328 /nfs/dbraw/zinc/41/23/28/820412328.db2.gz YSKQMIYXKDYKIQ-JHJVBQTASA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079493600 820412336 /nfs/dbraw/zinc/41/23/36/820412336.db2.gz YSKQMIYXKDYKIQ-JHJVBQTASA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079493600 820412342 /nfs/dbraw/zinc/41/23/42/820412342.db2.gz YSKQMIYXKDYKIQ-JHJVBQTASA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079493600 820412348 /nfs/dbraw/zinc/41/23/48/820412348.db2.gz YSKQMIYXKDYKIQ-JHJVBQTASA-N 2 1 251.374 0.703 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079687731 820452325 /nfs/dbraw/zinc/45/23/25/820452325.db2.gz UNVMXSQRILGLSC-RBSFLKMASA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079687731 820452330 /nfs/dbraw/zinc/45/23/30/820452330.db2.gz UNVMXSQRILGLSC-RBSFLKMASA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079687731 820452333 /nfs/dbraw/zinc/45/23/33/820452333.db2.gz UNVMXSQRILGLSC-RBSFLKMASA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079687731 820452336 /nfs/dbraw/zinc/45/23/36/820452336.db2.gz UNVMXSQRILGLSC-RBSFLKMASA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080559121 820590981 /nfs/dbraw/zinc/59/09/81/820590981.db2.gz WBTXBFYLOCXJKP-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057387 821189368 /nfs/dbraw/zinc/18/93/68/821189368.db2.gz IJPXXVMXFSOYPS-KGLIPLIRSA-N 2 1 281.400 0.210 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057387 821189374 /nfs/dbraw/zinc/18/93/74/821189374.db2.gz IJPXXVMXFSOYPS-KGLIPLIRSA-N 2 1 281.400 0.210 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001085393783 821678436 /nfs/dbraw/zinc/67/84/36/821678436.db2.gz KLXGENREHMQUKA-RBSFLKMASA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598340 821843215 /nfs/dbraw/zinc/84/32/15/821843215.db2.gz REIIKQRKYMLRKE-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129326995 822136532 /nfs/dbraw/zinc/13/65/32/822136532.db2.gz DHIXQQAPLLHTCQ-AWEZNQCLSA-N 2 1 265.401 0.693 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100079039 822244927 /nfs/dbraw/zinc/24/49/27/822244927.db2.gz SLDLGXJTEKVFHJ-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100079039 822244932 /nfs/dbraw/zinc/24/49/32/822244932.db2.gz SLDLGXJTEKVFHJ-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100079039 822244940 /nfs/dbraw/zinc/24/49/40/822244940.db2.gz SLDLGXJTEKVFHJ-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129430863 837509602 /nfs/dbraw/zinc/50/96/02/837509602.db2.gz YSQMWOFAJTZKNT-LBPRGKRZSA-N 2 1 260.341 0.490 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183648072 844054272 /nfs/dbraw/zinc/05/42/72/844054272.db2.gz ODYMSNUUBQZURK-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108394073 836001002 /nfs/dbraw/zinc/00/10/02/836001002.db2.gz CXATWDPLYNHWJM-ZBFHGGJFSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108394073 836001013 /nfs/dbraw/zinc/00/10/13/836001013.db2.gz CXATWDPLYNHWJM-ZBFHGGJFSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394073 836001025 /nfs/dbraw/zinc/00/10/25/836001025.db2.gz CXATWDPLYNHWJM-ZBFHGGJFSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394073 836001035 /nfs/dbraw/zinc/00/10/35/836001035.db2.gz CXATWDPLYNHWJM-ZBFHGGJFSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090491344 837893180 /nfs/dbraw/zinc/89/31/80/837893180.db2.gz ZRDRFXOSAUSCFZ-UONOGXRCSA-N 2 1 295.427 0.598 20 30 CCEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273641 838351561 /nfs/dbraw/zinc/35/15/61/838351561.db2.gz IBOXDKOECGKIAE-LSDHHAIUSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273641 838351564 /nfs/dbraw/zinc/35/15/64/838351564.db2.gz IBOXDKOECGKIAE-LSDHHAIUSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132977338 838529002 /nfs/dbraw/zinc/52/90/02/838529002.db2.gz LCIYWPORVUMSLH-DZGCQCFKSA-N 2 1 288.395 0.899 20 30 CCEDMP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675574 839350355 /nfs/dbraw/zinc/35/03/55/839350355.db2.gz IPFYSBKMEUMJTF-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659010 844442680 /nfs/dbraw/zinc/44/26/80/844442680.db2.gz BIYVZMMZCXYLHW-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159882549 839621453 /nfs/dbraw/zinc/62/14/53/839621453.db2.gz DGHLHVHZPDBFOO-CQSZACIVSA-N 2 1 293.415 0.485 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CC2)C1 ZINC001091075847 840035872 /nfs/dbraw/zinc/03/58/72/840035872.db2.gz CQPPPMVGHBZPLM-GPANFISMSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CC2)C1 ZINC001091075847 840035880 /nfs/dbraw/zinc/03/58/80/840035880.db2.gz CQPPPMVGHBZPLM-GPANFISMSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333185 840285825 /nfs/dbraw/zinc/28/58/25/840285825.db2.gz NAMFRSZARQHVNZ-RYUDHWBXSA-N 2 1 262.357 0.698 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091740984 840871170 /nfs/dbraw/zinc/87/11/70/840871170.db2.gz VBBMJEPTNVARKW-PBHICJAKSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091740984 840871177 /nfs/dbraw/zinc/87/11/77/840871177.db2.gz VBBMJEPTNVARKW-PBHICJAKSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091740984 840871185 /nfs/dbraw/zinc/87/11/85/840871185.db2.gz VBBMJEPTNVARKW-PBHICJAKSA-N 2 1 289.423 0.884 20 30 CCEDMP C[C@H](CCCC#N)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001172487341 841929343 /nfs/dbraw/zinc/92/93/43/841929343.db2.gz GYDOWRHUBXXJPS-CYBMUJFWSA-N 2 1 266.389 0.822 20 30 CCEDMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H](C)CCCC#N ZINC001172478832 841931112 /nfs/dbraw/zinc/93/11/12/841931112.db2.gz HXRFFCMKYIWBIU-QWRGUYRKSA-N 2 1 283.376 0.463 20 30 CCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001150334641 842170649 /nfs/dbraw/zinc/17/06/49/842170649.db2.gz YWAASLMVIDVSNZ-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150334641 842170657 /nfs/dbraw/zinc/17/06/57/842170657.db2.gz YWAASLMVIDVSNZ-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150334641 842170660 /nfs/dbraw/zinc/17/06/60/842170660.db2.gz YWAASLMVIDVSNZ-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176628106 842389896 /nfs/dbraw/zinc/38/98/96/842389896.db2.gz PIHCARMRMPLTLG-CQSZACIVSA-N 2 1 299.415 0.006 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176628106 842389908 /nfs/dbraw/zinc/38/99/08/842389908.db2.gz PIHCARMRMPLTLG-CQSZACIVSA-N 2 1 299.415 0.006 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176628104 842390390 /nfs/dbraw/zinc/39/03/90/842390390.db2.gz PIHCARMRMPLTLG-AWEZNQCLSA-N 2 1 299.415 0.006 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176628104 842390402 /nfs/dbraw/zinc/39/04/02/842390402.db2.gz PIHCARMRMPLTLG-AWEZNQCLSA-N 2 1 299.415 0.006 20 30 CCEDMP NC(=[NH2+])N(CCCC[NH3+])C(=O)C#Cc1ccc(F)cc1F ZINC001178573276 842881535 /nfs/dbraw/zinc/88/15/35/842881535.db2.gz DRWMFGCTFISWMD-UHFFFAOYSA-N 2 1 294.305 0.777 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189793289 845209668 /nfs/dbraw/zinc/20/96/68/845209668.db2.gz AAWYKKGVVYBONL-UONOGXRCSA-N 2 1 281.400 0.283 20 30 CCEDMP N#Cc1cc(F)c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c(F)c1 ZINC001191936887 845758214 /nfs/dbraw/zinc/75/82/14/845758214.db2.gz WSEDWMGYLPWYAU-UHFFFAOYSA-N 2 1 295.293 0.911 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192005600 845770800 /nfs/dbraw/zinc/77/08/00/845770800.db2.gz CCIRDIWKAGYHPY-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462802 846082151 /nfs/dbraw/zinc/08/21/51/846082151.db2.gz PZSCIZWQALCBHL-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193462802 846082162 /nfs/dbraw/zinc/08/21/62/846082162.db2.gz PZSCIZWQALCBHL-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193462802 846082166 /nfs/dbraw/zinc/08/21/66/846082166.db2.gz PZSCIZWQALCBHL-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193828689 846161094 /nfs/dbraw/zinc/16/10/94/846161094.db2.gz UUVIYTVLUYREFY-HUUCEWRRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193828689 846161096 /nfs/dbraw/zinc/16/10/96/846161096.db2.gz UUVIYTVLUYREFY-HUUCEWRRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193961210 846188651 /nfs/dbraw/zinc/18/86/51/846188651.db2.gz MOKBTOMMPLOJSL-KFWWJZLASA-N 2 1 297.443 0.700 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194087090 846219154 /nfs/dbraw/zinc/21/91/54/846219154.db2.gz XTOOCIVSHOCNIB-JHJVBQTASA-N 2 1 269.389 0.064 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194087090 846219167 /nfs/dbraw/zinc/21/91/67/846219167.db2.gz XTOOCIVSHOCNIB-JHJVBQTASA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196199284 846702928 /nfs/dbraw/zinc/70/29/28/846702928.db2.gz GBMCDPOJKRYTOP-CHWSQXEVSA-N 2 1 283.416 0.312 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196199284 846702939 /nfs/dbraw/zinc/70/29/39/846702939.db2.gz GBMCDPOJKRYTOP-CHWSQXEVSA-N 2 1 283.416 0.312 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196199284 846702945 /nfs/dbraw/zinc/70/29/45/846702945.db2.gz GBMCDPOJKRYTOP-CHWSQXEVSA-N 2 1 283.416 0.312 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196199284 846702955 /nfs/dbraw/zinc/70/29/55/846702955.db2.gz GBMCDPOJKRYTOP-CHWSQXEVSA-N 2 1 283.416 0.312 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200696908 847680998 /nfs/dbraw/zinc/68/09/98/847680998.db2.gz WRBWLPDXSSVKMA-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201924058 847837545 /nfs/dbraw/zinc/83/75/45/847837545.db2.gz BDBPDULRBXCGRG-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114353223 848023202 /nfs/dbraw/zinc/02/32/02/848023202.db2.gz OFPCFAVJUAQZCJ-LJISPDSOSA-N 2 1 295.402 0.736 20 30 CCEDMP C=CC[NH+]1CCC(CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001274936154 848596791 /nfs/dbraw/zinc/59/67/91/848596791.db2.gz CVIRAYCYRMOUQG-CQSZACIVSA-N 2 1 295.427 0.457 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001275135023 848646029 /nfs/dbraw/zinc/64/60/29/848646029.db2.gz DYSNQEVCNMJURD-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC ZINC001275849460 848845904 /nfs/dbraw/zinc/84/59/04/848845904.db2.gz FALACWVCPUVWJE-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC ZINC001275849460 848845909 /nfs/dbraw/zinc/84/59/09/848845909.db2.gz FALACWVCPUVWJE-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC ZINC001275849460 848845916 /nfs/dbraw/zinc/84/59/16/848845916.db2.gz FALACWVCPUVWJE-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC ZINC001275849460 848845922 /nfs/dbraw/zinc/84/59/22/848845922.db2.gz FALACWVCPUVWJE-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001047529032 851804010 /nfs/dbraw/zinc/80/40/10/851804010.db2.gz NTEQKKSQWGDERD-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001047529032 851804013 /nfs/dbraw/zinc/80/40/13/851804013.db2.gz NTEQKKSQWGDERD-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001047529032 851804023 /nfs/dbraw/zinc/80/40/23/851804023.db2.gz NTEQKKSQWGDERD-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048724249 852031560 /nfs/dbraw/zinc/03/15/60/852031560.db2.gz XGISVBNWVBAFLL-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048724249 852031571 /nfs/dbraw/zinc/03/15/71/852031571.db2.gz XGISVBNWVBAFLL-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048724249 852031583 /nfs/dbraw/zinc/03/15/83/852031583.db2.gz XGISVBNWVBAFLL-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049024772 852140530 /nfs/dbraw/zinc/14/05/30/852140530.db2.gz BETSDCBKCBDASY-IYBDPMFKSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049212229 852193350 /nfs/dbraw/zinc/19/33/50/852193350.db2.gz AEWJKWDSOZDFNS-SOUVJXGZSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049212229 852193354 /nfs/dbraw/zinc/19/33/54/852193354.db2.gz AEWJKWDSOZDFNS-SOUVJXGZSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049212229 852193360 /nfs/dbraw/zinc/19/33/60/852193360.db2.gz AEWJKWDSOZDFNS-SOUVJXGZSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001054296157 852904368 /nfs/dbraw/zinc/90/43/68/852904368.db2.gz AKFWKBODLUZTOS-ZNMIVQPWSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001054296157 852904374 /nfs/dbraw/zinc/90/43/74/852904374.db2.gz AKFWKBODLUZTOS-ZNMIVQPWSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050754537 853424025 /nfs/dbraw/zinc/42/40/25/853424025.db2.gz YUVKXKNGOFPAKH-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001072981277 854508190 /nfs/dbraw/zinc/50/81/90/854508190.db2.gz CGVMIMMKSWNOEU-CABCVRRESA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072981277 854508194 /nfs/dbraw/zinc/50/81/94/854508194.db2.gz CGVMIMMKSWNOEU-CABCVRRESA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072981277 854508198 /nfs/dbraw/zinc/50/81/98/854508198.db2.gz CGVMIMMKSWNOEU-CABCVRRESA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001072990777 854509898 /nfs/dbraw/zinc/50/98/98/854509898.db2.gz FYCXCQUXSMZSII-ZDUSSCGKSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073753408 854639196 /nfs/dbraw/zinc/63/91/96/854639196.db2.gz WLJRQOMVRYAXBH-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073753408 854639201 /nfs/dbraw/zinc/63/92/01/854639201.db2.gz WLJRQOMVRYAXBH-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974045 855057871 /nfs/dbraw/zinc/05/78/71/855057871.db2.gz MNRXYAQQMPPOGE-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099989655 855063022 /nfs/dbraw/zinc/06/30/22/855063022.db2.gz TUTBUGCKVVKBJJ-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100041396 855080204 /nfs/dbraw/zinc/08/02/04/855080204.db2.gz IUZWFGXHKFICSD-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100126825 855104008 /nfs/dbraw/zinc/10/40/08/855104008.db2.gz NMGKQIRLZXQBBG-LSDHHAIUSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001100415468 855163658 /nfs/dbraw/zinc/16/36/58/855163658.db2.gz SGMNGQOJNQXUKM-GPANFISMSA-N 2 1 287.407 0.592 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001100415468 855163659 /nfs/dbraw/zinc/16/36/59/855163659.db2.gz SGMNGQOJNQXUKM-GPANFISMSA-N 2 1 287.407 0.592 20 30 CCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318842 855428098 /nfs/dbraw/zinc/42/80/98/855428098.db2.gz MHTWLSZNCJGRNC-HUUCEWRRSA-N 2 1 295.427 0.272 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001102524568 855442627 /nfs/dbraw/zinc/44/26/27/855442627.db2.gz MBEYAAXSAXFICB-ZIAGYGMSSA-N 2 1 265.401 0.646 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102524568 855442633 /nfs/dbraw/zinc/44/26/33/855442633.db2.gz MBEYAAXSAXFICB-ZIAGYGMSSA-N 2 1 265.401 0.646 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102524568 855442637 /nfs/dbraw/zinc/44/26/37/855442637.db2.gz MBEYAAXSAXFICB-ZIAGYGMSSA-N 2 1 265.401 0.646 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579558 855446843 /nfs/dbraw/zinc/44/68/43/855446843.db2.gz DMXPRWSUXOOJAM-ZIAGYGMSSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396645 855518608 /nfs/dbraw/zinc/51/86/08/855518608.db2.gz BZVHNGCXJNCCTG-ZIAGYGMSSA-N 2 1 265.401 0.646 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCC ZINC001115162266 855649060 /nfs/dbraw/zinc/64/90/60/855649060.db2.gz UMZPVZUNMVCAKS-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115162266 855649064 /nfs/dbraw/zinc/64/90/64/855649064.db2.gz UMZPVZUNMVCAKS-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115162266 855649065 /nfs/dbraw/zinc/64/90/65/855649065.db2.gz UMZPVZUNMVCAKS-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001325101508 913213892 /nfs/dbraw/zinc/21/38/92/913213892.db2.gz HAFZBQIZROZGBJ-CQSZACIVSA-N 2 1 278.356 0.081 20 30 CCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)CCc2cnc[nH]2)C1 ZINC001325101508 913213915 /nfs/dbraw/zinc/21/39/15/913213915.db2.gz HAFZBQIZROZGBJ-CQSZACIVSA-N 2 1 278.356 0.081 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001325127690 913234314 /nfs/dbraw/zinc/23/43/14/913234314.db2.gz XCOUUCXSNSODPR-OAHLLOKOSA-N 2 1 283.416 0.457 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001481424050 892640643 /nfs/dbraw/zinc/64/06/43/892640643.db2.gz NBKLHBUSYVSIJG-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481424050 892640650 /nfs/dbraw/zinc/64/06/50/892640650.db2.gz NBKLHBUSYVSIJG-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481424050 892640654 /nfs/dbraw/zinc/64/06/54/892640654.db2.gz NBKLHBUSYVSIJG-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481492684 892741730 /nfs/dbraw/zinc/74/17/30/892741730.db2.gz XKBYOUXTSJLOQB-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481492684 892741733 /nfs/dbraw/zinc/74/17/33/892741733.db2.gz XKBYOUXTSJLOQB-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001481492684 892741736 /nfs/dbraw/zinc/74/17/36/892741736.db2.gz XKBYOUXTSJLOQB-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481980421 893296442 /nfs/dbraw/zinc/29/64/42/893296442.db2.gz ZUBFRZCETNZWIZ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001482553573 894232314 /nfs/dbraw/zinc/23/23/14/894232314.db2.gz NIECEVAVSIVFRO-ZIAGYGMSSA-N 2 1 265.401 0.692 20 30 CCEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482728100 894549551 /nfs/dbraw/zinc/54/95/51/894549551.db2.gz DZSMHODNNSBLRQ-UONOGXRCSA-N 2 1 283.416 0.502 20 30 CCEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001506923358 894938164 /nfs/dbraw/zinc/93/81/64/894938164.db2.gz QRWXZRGZVVOFID-BFHYXJOUSA-N 2 1 265.401 0.834 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001483226599 895140032 /nfs/dbraw/zinc/14/00/32/895140032.db2.gz BFFTXFLAZLZSRR-UONOGXRCSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001484355031 896352873 /nfs/dbraw/zinc/35/28/73/896352873.db2.gz NVWOGWQSGSHEGX-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCN1CC[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001272887833 898122017 /nfs/dbraw/zinc/12/20/17/898122017.db2.gz KPLWTIPOGZJNOK-QGZVFWFLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001078683841 898449734 /nfs/dbraw/zinc/44/97/34/898449734.db2.gz XHDLPWGUVRHVFX-UONOGXRCSA-N 2 1 286.379 0.842 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485877760 898484907 /nfs/dbraw/zinc/48/49/07/898484907.db2.gz OHYLHZXWEZZYFS-BFHYXJOUSA-N 2 1 265.401 0.786 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486053230 898641151 /nfs/dbraw/zinc/64/11/51/898641151.db2.gz WSLJEICXDSTNRU-NWDGAFQWSA-N 2 1 289.807 0.147 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486053230 898641147 /nfs/dbraw/zinc/64/11/47/898641147.db2.gz WSLJEICXDSTNRU-NWDGAFQWSA-N 2 1 289.807 0.147 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001488670956 900336969 /nfs/dbraw/zinc/33/69/69/900336969.db2.gz NWMKRWYDZASTGZ-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001488670956 900336974 /nfs/dbraw/zinc/33/69/74/900336974.db2.gz NWMKRWYDZASTGZ-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001490515474 900657411 /nfs/dbraw/zinc/65/74/11/900657411.db2.gz UEUJHTBKFLVMQO-HNNXBMFYSA-N 2 1 294.443 0.248 20 30 CCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001327564293 914623866 /nfs/dbraw/zinc/62/38/66/914623866.db2.gz QBGYCXMRCBCNQI-FMKPAKJESA-N 2 1 295.427 0.456 20 30 CCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001045385024 902685092 /nfs/dbraw/zinc/68/50/92/902685092.db2.gz AFHSKZGZHMFSRV-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001491561488 903961994 /nfs/dbraw/zinc/96/19/94/903961994.db2.gz XIUXCPPRDDUXKO-IHRRRGAJSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001331531110 903996404 /nfs/dbraw/zinc/99/64/04/903996404.db2.gz PPQAPNWMSHYMAA-IHRRRGAJSA-N 2 1 265.401 0.786 20 30 CCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001281184436 904240749 /nfs/dbraw/zinc/24/07/49/904240749.db2.gz JXAKBEFEWBHMPG-HOCLYGCPSA-N 2 1 295.427 0.457 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001282493158 904491891 /nfs/dbraw/zinc/49/18/91/904491891.db2.gz AUIUEDWISMSQLZ-CABCVRRESA-N 2 1 295.427 0.415 20 30 CCEDMP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001282637721 904512510 /nfs/dbraw/zinc/51/25/10/904512510.db2.gz BDDUFALQKISALD-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001282637721 904512519 /nfs/dbraw/zinc/51/25/19/904512519.db2.gz BDDUFALQKISALD-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001283042775 904680304 /nfs/dbraw/zinc/68/03/04/904680304.db2.gz RRQYSRPTVCYEPH-MQMHXKEQSA-N 2 1 274.368 0.850 20 30 CCEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001283102206 904694599 /nfs/dbraw/zinc/69/45/99/904694599.db2.gz YYPWEWQNLUGTPR-JOCQHMNTSA-N 2 1 253.390 0.999 20 30 CCEDMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001283492172 904871501 /nfs/dbraw/zinc/87/15/01/904871501.db2.gz HHKUTMVMEYHVJD-UONOGXRCSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001283492172 904871518 /nfs/dbraw/zinc/87/15/18/904871518.db2.gz HHKUTMVMEYHVJD-UONOGXRCSA-N 2 1 281.400 0.330 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283556057 904907672 /nfs/dbraw/zinc/90/76/72/904907672.db2.gz KDGMGDCCOMJGCN-GJZGRUSLSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001284417171 905282186 /nfs/dbraw/zinc/28/21/86/905282186.db2.gz MKPUCCIFRJAXIC-HUUCEWRRSA-N 2 1 295.427 0.291 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001378536295 905667216 /nfs/dbraw/zinc/66/72/16/905667216.db2.gz FBSXKLQMGWBLQI-PWSUYJOCSA-N 2 1 289.807 0.411 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001378536295 905667227 /nfs/dbraw/zinc/66/72/27/905667227.db2.gz FBSXKLQMGWBLQI-PWSUYJOCSA-N 2 1 289.807 0.411 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC001293712516 906504523 /nfs/dbraw/zinc/50/45/23/906504523.db2.gz FUTNAFBJCYEECZ-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC001293712516 906504528 /nfs/dbraw/zinc/50/45/28/906504528.db2.gz FUTNAFBJCYEECZ-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317527386 908596157 /nfs/dbraw/zinc/59/61/57/908596157.db2.gz CUNXZATYDVYHKR-OLZOCXBDSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001316956543 908866944 /nfs/dbraw/zinc/86/69/44/908866944.db2.gz RGUFSJYEKAJHTJ-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001316956543 908866963 /nfs/dbraw/zinc/86/69/63/908866963.db2.gz RGUFSJYEKAJHTJ-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317192193 909035025 /nfs/dbraw/zinc/03/50/25/909035025.db2.gz CRILIEUVJKFWMV-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001317449161 909218581 /nfs/dbraw/zinc/21/85/81/909218581.db2.gz JYTYRYUOOJEVLH-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001317449161 909218596 /nfs/dbraw/zinc/21/85/96/909218596.db2.gz JYTYRYUOOJEVLH-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001317449161 909218615 /nfs/dbraw/zinc/21/86/15/909218615.db2.gz JYTYRYUOOJEVLH-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001317449161 909218629 /nfs/dbraw/zinc/21/86/29/909218629.db2.gz JYTYRYUOOJEVLH-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317534245 909304266 /nfs/dbraw/zinc/30/42/66/909304266.db2.gz JTXAHUWKLBBIDX-CABCVRRESA-N 2 1 293.411 0.026 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317534245 909304279 /nfs/dbraw/zinc/30/42/79/909304279.db2.gz JTXAHUWKLBBIDX-CABCVRRESA-N 2 1 293.411 0.026 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317534245 909304293 /nfs/dbraw/zinc/30/42/93/909304293.db2.gz JTXAHUWKLBBIDX-CABCVRRESA-N 2 1 293.411 0.026 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001318374807 909727262 /nfs/dbraw/zinc/72/72/62/909727262.db2.gz WLBZJMKKRYJSLT-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001318374807 909727275 /nfs/dbraw/zinc/72/72/75/909727275.db2.gz WLBZJMKKRYJSLT-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001318374807 909727285 /nfs/dbraw/zinc/72/72/85/909727285.db2.gz WLBZJMKKRYJSLT-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001318374807 909727292 /nfs/dbraw/zinc/72/72/92/909727292.db2.gz WLBZJMKKRYJSLT-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001318437323 909759562 /nfs/dbraw/zinc/75/95/62/909759562.db2.gz OAMDQHVNQXEMSS-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001318437323 909759568 /nfs/dbraw/zinc/75/95/68/909759568.db2.gz OAMDQHVNQXEMSS-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001318538994 909808383 /nfs/dbraw/zinc/80/83/83/909808383.db2.gz AYCUQYYIOTUVIK-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001319167343 910014809 /nfs/dbraw/zinc/01/48/09/910014809.db2.gz KUBHFVUYJMNMFK-QWHCGFSZSA-N 2 1 253.390 0.999 20 30 CCEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001319998772 910409034 /nfs/dbraw/zinc/40/90/34/910409034.db2.gz CAXGGVXHODNKDY-ZIAGYGMSSA-N 2 1 265.401 0.740 20 30 CCEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319998772 910409048 /nfs/dbraw/zinc/40/90/48/910409048.db2.gz CAXGGVXHODNKDY-ZIAGYGMSSA-N 2 1 265.401 0.740 20 30 CCEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319998772 910409059 /nfs/dbraw/zinc/40/90/59/910409059.db2.gz CAXGGVXHODNKDY-ZIAGYGMSSA-N 2 1 265.401 0.740 20 30 CCEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001323001627 912063440 /nfs/dbraw/zinc/06/34/40/912063440.db2.gz ZGYGYBJMRYRMDZ-YUELXQCFSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001322999149 912065164 /nfs/dbraw/zinc/06/51/64/912065164.db2.gz FMJOFJBAHFLXKB-BNOWGMLFSA-N 2 1 263.385 0.444 20 30 CCEDMP C=CC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001323090754 912109874 /nfs/dbraw/zinc/10/98/74/912109874.db2.gz QVJWLXUIWVEWKI-CQSZACIVSA-N 2 1 281.400 0.379 20 30 CCEDMP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001329168938 915722436 /nfs/dbraw/zinc/72/24/36/915722436.db2.gz OCEKUWJPIHYTSZ-OLZOCXBDSA-N 2 1 253.390 0.834 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[C@@H](C)[NH2+]C ZINC001331454759 917345775 /nfs/dbraw/zinc/34/57/75/917345775.db2.gz AUVLXOVDUVPDOP-GFCCVEGCSA-N 2 1 254.378 0.239 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC001331894935 917698106 /nfs/dbraw/zinc/69/81/06/917698106.db2.gz QCXICKZOAQYLFA-AWEZNQCLSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC001331894935 917698115 /nfs/dbraw/zinc/69/81/15/917698115.db2.gz QCXICKZOAQYLFA-AWEZNQCLSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC001331975896 917774477 /nfs/dbraw/zinc/77/44/77/917774477.db2.gz KANVLAAKZVHIAG-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](CCC)C2)C1 ZINC001331975896 917774491 /nfs/dbraw/zinc/77/44/91/917774491.db2.gz KANVLAAKZVHIAG-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](CCC)C2)C1 ZINC001331975896 917774504 /nfs/dbraw/zinc/77/45/04/917774504.db2.gz KANVLAAKZVHIAG-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](CCC)C2)C1 ZINC001331975896 917774517 /nfs/dbraw/zinc/77/45/17/917774517.db2.gz KANVLAAKZVHIAG-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(C)CC1 ZINC001340240525 922019608 /nfs/dbraw/zinc/01/96/08/922019608.db2.gz JHDYDIGSYPRVHC-AWEZNQCLSA-N 2 1 282.432 0.424 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC001340852742 922245174 /nfs/dbraw/zinc/24/51/74/922245174.db2.gz ISVIIALEXGQWMM-OLZOCXBDSA-N 2 1 269.389 0.507 20 30 CCEDMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC001353238893 925769701 /nfs/dbraw/zinc/76/97/01/925769701.db2.gz HWXWKSOGHGLWTQ-AWEZNQCLSA-N 2 1 293.415 0.802 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCCn1cc[nH+]c1C ZINC000296445048 353948029 /nfs/dbraw/zinc/94/80/29/353948029.db2.gz NBSCYOLNYLDNJG-UHFFFAOYSA-N 2 1 277.372 0.446 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCn1cc[nH+]c1C ZINC000296445048 353948032 /nfs/dbraw/zinc/94/80/32/353948032.db2.gz NBSCYOLNYLDNJG-UHFFFAOYSA-N 2 1 277.372 0.446 20 30 CCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)C#N ZINC000597941937 361286804 /nfs/dbraw/zinc/28/68/04/361286804.db2.gz HHUYAIYDYLODSN-LBPRGKRZSA-N 2 1 268.405 0.924 20 30 CCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)C#N ZINC000597941937 361286806 /nfs/dbraw/zinc/28/68/06/361286806.db2.gz HHUYAIYDYLODSN-LBPRGKRZSA-N 2 1 268.405 0.924 20 30 CCEDMP C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000037887427 388849022 /nfs/dbraw/zinc/84/90/22/388849022.db2.gz JTZWCERJFCEVAK-OAHLLOKOSA-N 2 1 289.379 0.982 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358498660 389152629 /nfs/dbraw/zinc/15/26/29/389152629.db2.gz LXICGEWOZJJQOT-UHFFFAOYSA-N 2 1 280.372 0.074 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1cnn(C)c1 ZINC000264283338 389318112 /nfs/dbraw/zinc/31/81/12/389318112.db2.gz OGPXDEGYYWYJQJ-AWEZNQCLSA-N 2 1 292.431 0.741 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@](C)(O)c1ccco1 ZINC000262495273 389287223 /nfs/dbraw/zinc/28/72/23/389287223.db2.gz ZZGRAAYCXHJXEK-WFASDCNBSA-N 2 1 294.399 0.604 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1cccn1 ZINC000264066202 389303935 /nfs/dbraw/zinc/30/39/35/389303935.db2.gz FELHOUKVDHYKSX-ZDUSSCGKSA-N 2 1 278.404 0.662 20 30 CCEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000267425622 389371459 /nfs/dbraw/zinc/37/14/59/389371459.db2.gz LMVZOVNODXATJX-CYBMUJFWSA-N 2 1 291.399 0.668 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350283850 389502375 /nfs/dbraw/zinc/50/23/75/389502375.db2.gz AHLVDTSYJDGRHU-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350283850 389502379 /nfs/dbraw/zinc/50/23/79/389502379.db2.gz AHLVDTSYJDGRHU-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430569466 389808623 /nfs/dbraw/zinc/80/86/23/389808623.db2.gz IVMQAHNJFABBAF-SRVKXCTJSA-N 2 1 282.388 0.446 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430569466 389808624 /nfs/dbraw/zinc/80/86/24/389808624.db2.gz IVMQAHNJFABBAF-SRVKXCTJSA-N 2 1 282.388 0.446 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000491405278 390112935 /nfs/dbraw/zinc/11/29/35/390112935.db2.gz HWQZRFDPOXJFMZ-HNNXBMFYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000491405278 390112936 /nfs/dbraw/zinc/11/29/36/390112936.db2.gz HWQZRFDPOXJFMZ-HNNXBMFYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000491405278 390112937 /nfs/dbraw/zinc/11/29/37/390112937.db2.gz HWQZRFDPOXJFMZ-HNNXBMFYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000491645559 390115470 /nfs/dbraw/zinc/11/54/70/390115470.db2.gz OUOAPOOKRXYDDX-CQSZACIVSA-N 2 1 284.400 0.088 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000491645559 390115471 /nfs/dbraw/zinc/11/54/71/390115471.db2.gz OUOAPOOKRXYDDX-CQSZACIVSA-N 2 1 284.400 0.088 20 30 CCEDMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000568751553 390715010 /nfs/dbraw/zinc/71/50/10/390715010.db2.gz FCBMZVMZKKTQLA-ZDUSSCGKSA-N 2 1 266.389 0.950 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000572869758 390808521 /nfs/dbraw/zinc/80/85/21/390808521.db2.gz OBYVBTSIAJNGNE-RKDXNWHRSA-N 2 1 260.288 0.073 20 30 CCEDMP COCCNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000161478221 261247901 /nfs/dbraw/zinc/24/79/01/261247901.db2.gz IEOMAHVKZZBODS-GFCCVEGCSA-N 2 1 280.372 0.967 20 30 CCEDMP C=CCc1cc(C[N@H+](C)C[C@H](O)C[NH3+])cc(OC)c1O ZINC000415065565 263259663 /nfs/dbraw/zinc/25/96/63/263259663.db2.gz GNJYVPNGTYQFGO-CYBMUJFWSA-N 2 1 280.368 0.881 20 30 CCEDMP C=CCc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])cc(OC)c1O ZINC000415065565 263259665 /nfs/dbraw/zinc/25/96/65/263259665.db2.gz GNJYVPNGTYQFGO-CYBMUJFWSA-N 2 1 280.368 0.881 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000072861008 264272909 /nfs/dbraw/zinc/27/29/09/264272909.db2.gz SKZPHMFIGZSLDH-QWHCGFSZSA-N 2 1 296.415 0.660 20 30 CCEDMP C=CCC[C@@H](O)CN1CCN(Cc2nccn2C)CC1 ZINC000128148600 264273508 /nfs/dbraw/zinc/27/35/08/264273508.db2.gz LHIFVVZMHGKGOG-CQSZACIVSA-N 2 1 278.400 0.865 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1noc(C)n1 ZINC000262332778 328149028 /nfs/dbraw/zinc/14/90/28/328149028.db2.gz BHCMHHAMHGEJSG-JTQLQIEISA-N 2 1 266.349 0.267 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(=O)NC(N)=O)CC1 ZINC000566107155 327137126 /nfs/dbraw/zinc/13/71/26/327137126.db2.gz FZKWSKGRIPHJLU-UHFFFAOYSA-N 2 1 268.361 0.202 20 30 CCEDMP N#CCC[C@@H](C#N)CNC[C@H]1CCC[N@@H+]1CCCO ZINC000583381459 327335094 /nfs/dbraw/zinc/33/50/94/327335094.db2.gz LQTRODIVWYQPAW-UONOGXRCSA-N 2 1 264.373 0.866 20 30 CCEDMP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CCCN1CCCO ZINC000583381459 327335095 /nfs/dbraw/zinc/33/50/95/327335095.db2.gz LQTRODIVWYQPAW-UONOGXRCSA-N 2 1 264.373 0.866 20 30 CCEDMP CC[NH+]=C(NC[C@H]1C[N@@H+](CC(C)C)CCO1)N(C)C ZINC000262167253 330001264 /nfs/dbraw/zinc/00/12/64/330001264.db2.gz BWDJTDPRPUJXMY-ZDUSSCGKSA-N 2 1 270.421 0.870 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnc2n1CCC2 ZINC000262241463 330002545 /nfs/dbraw/zinc/00/25/45/330002545.db2.gz HUJIKARYZLPMRG-LLVKDONJSA-N 2 1 291.403 0.113 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C#N ZINC000262319239 330005707 /nfs/dbraw/zinc/00/57/07/330005707.db2.gz QNWQLKQKKNFJIW-LLVKDONJSA-N 2 1 251.378 0.925 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCOC1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000262792199 330031707 /nfs/dbraw/zinc/03/17/07/330031707.db2.gz KXSRONBZUXVTEO-RYUDHWBXSA-N 2 1 254.378 0.140 20 30 CCEDMP C[NH+]=C(NCc1cccn1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262803423 330032660 /nfs/dbraw/zinc/03/26/60/330032660.db2.gz RUGBGOOUJQBFMH-LBPRGKRZSA-N 2 1 275.400 0.927 20 30 CCEDMP C[NH+]=C(NCc1cccn1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262803423 330032662 /nfs/dbraw/zinc/03/26/62/330032662.db2.gz RUGBGOOUJQBFMH-LBPRGKRZSA-N 2 1 275.400 0.927 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CCC[C@H]1C ZINC000263058256 330041290 /nfs/dbraw/zinc/04/12/90/330041290.db2.gz FFHLAUFTAWVYBB-UMVBOHGHSA-N 2 1 282.432 0.926 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[C@@H](C)O1 ZINC000263151142 330046156 /nfs/dbraw/zinc/04/61/56/330046156.db2.gz PLYSKHVZDGHSTH-UPJWGTAASA-N 2 1 268.405 0.943 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000424128274 330259624 /nfs/dbraw/zinc/25/96/24/330259624.db2.gz FDPCVERBLYWAKL-NSHDSACASA-N 2 1 270.402 0.173 20 30 CCEDMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C[N@H+]1C1CC1 ZINC000424137628 330274839 /nfs/dbraw/zinc/27/48/39/330274839.db2.gz BCJJHBOCRFKSBA-MDZLAQPJSA-N 2 1 264.373 0.749 20 30 CCEDMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424147225 330293918 /nfs/dbraw/zinc/29/39/18/330293918.db2.gz QVSOBJQHFGSGLL-OLZOCXBDSA-N 2 1 282.388 0.235 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000491164607 332159192 /nfs/dbraw/zinc/15/91/92/332159192.db2.gz CTBILHFKHZRHBS-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000491201507 332164579 /nfs/dbraw/zinc/16/45/79/332164579.db2.gz IHELZIXOBXHABJ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000491631326 332254013 /nfs/dbraw/zinc/25/40/13/332254013.db2.gz NYOGILAVBAUSMX-HIFRSBDPSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000491631326 332254014 /nfs/dbraw/zinc/25/40/14/332254014.db2.gz NYOGILAVBAUSMX-HIFRSBDPSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000491631326 332254015 /nfs/dbraw/zinc/25/40/15/332254015.db2.gz NYOGILAVBAUSMX-HIFRSBDPSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000491646843 332263744 /nfs/dbraw/zinc/26/37/44/332263744.db2.gz VHQCJWPIALVDJC-SOUVJXGZSA-N 2 1 292.427 0.710 20 30 CCEDMP CCC[N@@H+](C)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000524943346 333393716 /nfs/dbraw/zinc/39/37/16/333393716.db2.gz BRCBHSVIZGBABC-UHFFFAOYSA-N 2 1 252.362 0.432 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000764580638 582056945 /nfs/dbraw/zinc/05/69/45/582056945.db2.gz ZYVMOKBQTZJVAY-ZDUSSCGKSA-N 2 1 253.390 0.904 20 30 CCEDMP C=C[C@H](O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668618098 545184110 /nfs/dbraw/zinc/18/41/10/545184110.db2.gz OBNGEBMVHKKXBO-KGLIPLIRSA-N 2 1 281.400 0.160 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000791301840 581213365 /nfs/dbraw/zinc/21/33/65/581213365.db2.gz SEPPNSWFWHZMDN-CQSZACIVSA-N 2 1 283.416 0.577 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CC[NH3+])C1=O ZINC000420308818 581580752 /nfs/dbraw/zinc/58/07/52/581580752.db2.gz DLHHHCYKQIHGDO-OLZOCXBDSA-N 2 1 251.374 0.977 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000729528238 581602515 /nfs/dbraw/zinc/60/25/15/581602515.db2.gz YSWBRBPBHNKKHJ-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NCCC#N ZINC000767448736 581614350 /nfs/dbraw/zinc/61/43/50/581614350.db2.gz ISGOEHMTPLJUBF-UHFFFAOYSA-N 2 1 263.345 0.543 20 30 CCEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCCC#N ZINC000767448736 581614352 /nfs/dbraw/zinc/61/43/52/581614352.db2.gz ISGOEHMTPLJUBF-UHFFFAOYSA-N 2 1 263.345 0.543 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000730098436 581645170 /nfs/dbraw/zinc/64/51/70/581645170.db2.gz DBFQTJWUNNSCEK-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000730098436 581645174 /nfs/dbraw/zinc/64/51/74/581645174.db2.gz DBFQTJWUNNSCEK-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000730098436 581645177 /nfs/dbraw/zinc/64/51/77/581645177.db2.gz DBFQTJWUNNSCEK-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000730098436 581645179 /nfs/dbraw/zinc/64/51/79/581645179.db2.gz DBFQTJWUNNSCEK-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC=C)CC1 ZINC000730286327 581692605 /nfs/dbraw/zinc/69/26/05/581692605.db2.gz ZVZJHAHZDLAKOP-HNNXBMFYSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC=C)CC1 ZINC000730286327 581692607 /nfs/dbraw/zinc/69/26/07/581692607.db2.gz ZVZJHAHZDLAKOP-HNNXBMFYSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC000743491738 581814456 /nfs/dbraw/zinc/81/44/56/581814456.db2.gz MDDLUDKXMZKQLD-UHFFFAOYSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCCC ZINC000732772323 581847662 /nfs/dbraw/zinc/84/76/62/581847662.db2.gz XBXUUXVZDOCKGL-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCCC ZINC000732772323 581847664 /nfs/dbraw/zinc/84/76/64/581847664.db2.gz XBXUUXVZDOCKGL-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCCC ZINC000732772323 581847667 /nfs/dbraw/zinc/84/76/67/581847667.db2.gz XBXUUXVZDOCKGL-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCCC ZINC000732772323 581847670 /nfs/dbraw/zinc/84/76/70/581847670.db2.gz XBXUUXVZDOCKGL-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000764287486 582041070 /nfs/dbraw/zinc/04/10/70/582041070.db2.gz GXMJPUJVICFSGI-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000764608857 582058522 /nfs/dbraw/zinc/05/85/22/582058522.db2.gz QKBLUKLGCYDQRD-RYUDHWBXSA-N 2 1 251.374 0.846 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000981958167 613003875 /nfs/dbraw/zinc/00/38/75/613003875.db2.gz BPXAHHUAUYGUDS-HUUCEWRRSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981958167 613003877 /nfs/dbraw/zinc/00/38/77/613003877.db2.gz BPXAHHUAUYGUDS-HUUCEWRRSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981958167 613003879 /nfs/dbraw/zinc/00/38/79/613003879.db2.gz BPXAHHUAUYGUDS-HUUCEWRRSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000965912366 612954845 /nfs/dbraw/zinc/95/48/45/612954845.db2.gz NGJAEBRYNOEJDB-BAYAOMGESA-N 2 1 275.396 0.588 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@H+](C)CCOC ZINC000876728596 613387871 /nfs/dbraw/zinc/38/78/71/613387871.db2.gz QJNMEHULSXLJJO-LLVKDONJSA-N 2 1 277.796 0.541 20 30 CCEDMP CC(C)C(N)=[NH+]OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000128481048 614223928 /nfs/dbraw/zinc/22/39/28/614223928.db2.gz HYSDEKOJCXLFBU-UHFFFAOYSA-N 2 1 282.388 0.674 20 30 CCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977597496 613036997 /nfs/dbraw/zinc/03/69/97/613036997.db2.gz XVKKHLVKERJJJS-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977597496 613036999 /nfs/dbraw/zinc/03/69/99/613036999.db2.gz XVKKHLVKERJJJS-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000886573242 613066480 /nfs/dbraw/zinc/06/64/80/613066480.db2.gz BJTUFZPISRHLFW-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCN(C(=O)NC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000914393884 613067377 /nfs/dbraw/zinc/06/73/77/613067377.db2.gz RHEKPBUDLPLJLM-HNNXBMFYSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894862508 613079076 /nfs/dbraw/zinc/07/90/76/613079076.db2.gz CXGDJVOUWVHEPB-GHMZBOCLSA-N 2 1 274.311 0.585 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894862508 613079077 /nfs/dbraw/zinc/07/90/77/613079077.db2.gz CXGDJVOUWVHEPB-GHMZBOCLSA-N 2 1 274.311 0.585 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905274229 613079264 /nfs/dbraw/zinc/07/92/64/613079264.db2.gz OBTAAWKDRFVDTO-CQSZACIVSA-N 2 1 268.401 0.587 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905274229 613079265 /nfs/dbraw/zinc/07/92/65/613079265.db2.gz OBTAAWKDRFVDTO-CQSZACIVSA-N 2 1 268.401 0.587 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000928444032 613131117 /nfs/dbraw/zinc/13/11/17/613131117.db2.gz IJNYDBSYWDQZEU-TZMCWYRMSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000928444030 613131647 /nfs/dbraw/zinc/13/16/47/613131647.db2.gz IJNYDBSYWDQZEU-JSGCOSHPSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000981825216 613155658 /nfs/dbraw/zinc/15/56/58/613155658.db2.gz MYMDURUOUKNRFY-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000981825216 613155660 /nfs/dbraw/zinc/15/56/60/613155660.db2.gz MYMDURUOUKNRFY-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000981825216 613155662 /nfs/dbraw/zinc/15/56/62/613155662.db2.gz MYMDURUOUKNRFY-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000981825216 613155664 /nfs/dbraw/zinc/15/56/64/613155664.db2.gz MYMDURUOUKNRFY-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000884206257 613168796 /nfs/dbraw/zinc/16/87/96/613168796.db2.gz QDCMWDHMBUHVCD-ZIAGYGMSSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000884206257 613168797 /nfs/dbraw/zinc/16/87/97/613168797.db2.gz QDCMWDHMBUHVCD-ZIAGYGMSSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000884206257 613168798 /nfs/dbraw/zinc/16/87/98/613168798.db2.gz QDCMWDHMBUHVCD-ZIAGYGMSSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000884206257 613168799 /nfs/dbraw/zinc/16/87/99/613168799.db2.gz QDCMWDHMBUHVCD-ZIAGYGMSSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CC[C@H](C)C2)C1 ZINC000896488274 613184785 /nfs/dbraw/zinc/18/47/85/613184785.db2.gz FYFRAZKRHDNMAB-GJZGRUSLSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000896488274 613184787 /nfs/dbraw/zinc/18/47/87/613184787.db2.gz FYFRAZKRHDNMAB-GJZGRUSLSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC000896488274 613184788 /nfs/dbraw/zinc/18/47/88/613184788.db2.gz FYFRAZKRHDNMAB-GJZGRUSLSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC000896488274 613184789 /nfs/dbraw/zinc/18/47/89/613184789.db2.gz FYFRAZKRHDNMAB-GJZGRUSLSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCC[C@@H]2C)C1 ZINC000896488325 613184888 /nfs/dbraw/zinc/18/48/88/613184888.db2.gz GZNAWJAKMVIYPY-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCC[C@@H]2C)C1 ZINC000896488325 613184889 /nfs/dbraw/zinc/18/48/89/613184889.db2.gz GZNAWJAKMVIYPY-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC[C@@H]2C)C1 ZINC000896488325 613184890 /nfs/dbraw/zinc/18/48/90/613184890.db2.gz GZNAWJAKMVIYPY-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC[C@@H]2C)C1 ZINC000896488325 613184891 /nfs/dbraw/zinc/18/48/91/613184891.db2.gz GZNAWJAKMVIYPY-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC=C)C1 ZINC000968952960 613197171 /nfs/dbraw/zinc/19/71/71/613197171.db2.gz WWTUHFAZOILASO-KGLIPLIRSA-N 2 1 261.369 0.461 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC=C)C1 ZINC000968952960 613197172 /nfs/dbraw/zinc/19/71/72/613197172.db2.gz WWTUHFAZOILASO-KGLIPLIRSA-N 2 1 261.369 0.461 20 30 CCEDMP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000849034588 613220270 /nfs/dbraw/zinc/22/02/70/613220270.db2.gz ZJTMKEUJUJFHPS-ZDUSSCGKSA-N 2 1 294.399 0.791 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975057053 613280702 /nfs/dbraw/zinc/28/07/02/613280702.db2.gz BDCAJGAKYRDSAW-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975057053 613280703 /nfs/dbraw/zinc/28/07/03/613280703.db2.gz BDCAJGAKYRDSAW-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975057053 613280704 /nfs/dbraw/zinc/28/07/04/613280704.db2.gz BDCAJGAKYRDSAW-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975057053 613280706 /nfs/dbraw/zinc/28/07/06/613280706.db2.gz BDCAJGAKYRDSAW-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000980447051 613290466 /nfs/dbraw/zinc/29/04/66/613290466.db2.gz CQBYAJNMOHNLIG-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000980447051 613290467 /nfs/dbraw/zinc/29/04/67/613290467.db2.gz CQBYAJNMOHNLIG-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000980447051 613290468 /nfs/dbraw/zinc/29/04/68/613290468.db2.gz CQBYAJNMOHNLIG-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000980447051 613290469 /nfs/dbraw/zinc/29/04/69/613290469.db2.gz CQBYAJNMOHNLIG-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000962279209 613314294 /nfs/dbraw/zinc/31/42/94/613314294.db2.gz IEONWAYAESNPAT-CXTNEJHOSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000962279209 613314296 /nfs/dbraw/zinc/31/42/96/613314296.db2.gz IEONWAYAESNPAT-CXTNEJHOSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000962279209 613314297 /nfs/dbraw/zinc/31/42/97/613314297.db2.gz IEONWAYAESNPAT-CXTNEJHOSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1C ZINC000960697795 613319691 /nfs/dbraw/zinc/31/96/91/613319691.db2.gz KLEOKBAIBLGMRC-ZSHCYNCHSA-N 2 1 294.358 0.936 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969071964 613348970 /nfs/dbraw/zinc/34/89/70/613348970.db2.gz PJADRBRGFMVCOD-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969071964 613348971 /nfs/dbraw/zinc/34/89/71/613348971.db2.gz PJADRBRGFMVCOD-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876854286 613389406 /nfs/dbraw/zinc/38/94/06/613389406.db2.gz TZELGCWBYIFZPI-JGVFFNPUSA-N 2 1 267.707 0.522 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549147 613590702 /nfs/dbraw/zinc/59/07/02/613590702.db2.gz NKLFMARTEGVVSG-GJZGRUSLSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000923282761 613590942 /nfs/dbraw/zinc/59/09/42/613590942.db2.gz XQCNHHSXZJIVKQ-STQMWFEESA-N 2 1 269.389 0.100 20 30 CCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000923411840 613591098 /nfs/dbraw/zinc/59/10/98/613591098.db2.gz SNIURNKXDPDVTP-OLZOCXBDSA-N 2 1 265.361 0.311 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977962527 613628484 /nfs/dbraw/zinc/62/84/84/613628484.db2.gz YJEBKSDLNGYDOE-XQLPTFJDSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000977962527 613628485 /nfs/dbraw/zinc/62/84/85/613628485.db2.gz YJEBKSDLNGYDOE-XQLPTFJDSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977962527 613628487 /nfs/dbraw/zinc/62/84/87/613628487.db2.gz YJEBKSDLNGYDOE-XQLPTFJDSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000960002088 613637191 /nfs/dbraw/zinc/63/71/91/613637191.db2.gz MBXYIIJNJSLOMA-AALSBFMBSA-N 2 1 289.423 0.786 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000960002088 613637192 /nfs/dbraw/zinc/63/71/92/613637192.db2.gz MBXYIIJNJSLOMA-AALSBFMBSA-N 2 1 289.423 0.786 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000960002088 613637195 /nfs/dbraw/zinc/63/71/95/613637195.db2.gz MBXYIIJNJSLOMA-AALSBFMBSA-N 2 1 289.423 0.786 20 30 CCEDMP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000895100998 613650096 /nfs/dbraw/zinc/65/00/96/613650096.db2.gz YKNYWTJVRWGCFU-HOTGVXAUSA-N 2 1 280.412 0.994 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977588339 613807593 /nfs/dbraw/zinc/80/75/93/613807593.db2.gz NMMKBXJPHSTEAW-CHWSQXEVSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977588339 613807595 /nfs/dbraw/zinc/80/75/95/613807595.db2.gz NMMKBXJPHSTEAW-CHWSQXEVSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977588339 613807596 /nfs/dbraw/zinc/80/75/96/613807596.db2.gz NMMKBXJPHSTEAW-CHWSQXEVSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCNC(=[NH2+])NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000849022700 613844792 /nfs/dbraw/zinc/84/47/92/613844792.db2.gz SUXLQSAUSLVFED-LBPRGKRZSA-N 2 1 254.378 0.787 20 30 CCEDMP CCC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884412875 614710175 /nfs/dbraw/zinc/71/01/75/614710175.db2.gz CLNRRHXLCBZSLL-MYMJJRTCSA-N 2 1 290.411 0.726 20 30 CCEDMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)c1ccccc1 ZINC000834493602 614904088 /nfs/dbraw/zinc/90/40/88/614904088.db2.gz FTFHBGIYHAJBKC-KFWWJZLASA-N 2 1 286.379 0.907 20 30 CCEDMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C#CC1CC[NH2+]CC1 ZINC000877452244 616199408 /nfs/dbraw/zinc/19/94/08/616199408.db2.gz VDPLSBRYNBSSLD-HUUCEWRRSA-N 2 1 275.396 0.685 20 30 CCEDMP COCC#CC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879126171 616527510 /nfs/dbraw/zinc/52/75/10/616527510.db2.gz VAUUXIFBSUPIBR-UHFFFAOYSA-N 2 1 268.401 0.926 20 30 CCEDMP COCC[NH+]=C(NC[C@H](C)[NH+](C)C)NC(C)(C)C ZINC000912509914 616743444 /nfs/dbraw/zinc/74/34/44/616743444.db2.gz UAZNGDRCWUHLBI-NSHDSACASA-N 2 1 258.410 0.917 20 30 CCEDMP C#CC[NH2+]C1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001026560714 625472394 /nfs/dbraw/zinc/47/23/94/625472394.db2.gz CJFCYMUHSALVNL-WLYUNCDWSA-N 2 1 277.412 0.978 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001022593516 622564603 /nfs/dbraw/zinc/56/46/03/622564603.db2.gz LXLVRZSAOOGXNJ-QLFBSQMISA-N 2 1 295.427 0.909 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001022593516 622564612 /nfs/dbraw/zinc/56/46/12/622564612.db2.gz LXLVRZSAOOGXNJ-QLFBSQMISA-N 2 1 295.427 0.909 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001023272806 622974548 /nfs/dbraw/zinc/97/45/48/622974548.db2.gz DUGNVTUCIBCVRE-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001023272806 622974556 /nfs/dbraw/zinc/97/45/56/622974556.db2.gz DUGNVTUCIBCVRE-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001023272806 622974569 /nfs/dbraw/zinc/97/45/69/622974569.db2.gz DUGNVTUCIBCVRE-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001023275668 622976639 /nfs/dbraw/zinc/97/66/39/622976639.db2.gz QNGUJRZHEJRSEJ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023755341 623129795 /nfs/dbraw/zinc/12/97/95/623129795.db2.gz HZCAJXJEYQUURN-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023755341 623129805 /nfs/dbraw/zinc/12/98/05/623129805.db2.gz HZCAJXJEYQUURN-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023755341 623129816 /nfs/dbraw/zinc/12/98/16/623129816.db2.gz HZCAJXJEYQUURN-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023755341 623129828 /nfs/dbraw/zinc/12/98/28/623129828.db2.gz HZCAJXJEYQUURN-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001020587863 624543977 /nfs/dbraw/zinc/54/39/77/624543977.db2.gz XQZDOULASUCENQ-IHRRRGAJSA-N 2 1 286.379 0.624 20 30 CCEDMP C[NH+]=C(NCC(C)(C)C(N)=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262005875 625013238 /nfs/dbraw/zinc/01/32/38/625013238.db2.gz VOPWIEXYGAPMDM-ZYHUDNBSSA-N 2 1 295.431 0.146 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001000000789 625810226 /nfs/dbraw/zinc/81/02/26/625810226.db2.gz RGIRDDKFGPYUMT-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001000000789 625810230 /nfs/dbraw/zinc/81/02/30/625810230.db2.gz RGIRDDKFGPYUMT-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C[NH+]=C(NCC(F)F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261820479 631632342 /nfs/dbraw/zinc/63/23/42/631632342.db2.gz UHTDTBKFUKMDET-LLVKDONJSA-N 2 1 290.358 0.481 20 30 CCEDMP COCC[N@H+]1CCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262003725 631750114 /nfs/dbraw/zinc/75/01/14/631750114.db2.gz QNWADNJBUNPQFD-LBPRGKRZSA-N 2 1 256.394 0.576 20 30 CCEDMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])N1CCOCC1 ZINC000303881687 632492902 /nfs/dbraw/zinc/49/29/02/632492902.db2.gz HUBJJITZZADIOE-GFCCVEGCSA-N 2 1 254.378 0.508 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000986567104 632772322 /nfs/dbraw/zinc/77/23/22/632772322.db2.gz PVBOGHBJWURVKU-CHWSQXEVSA-N 2 1 262.357 0.957 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC000987193205 632840964 /nfs/dbraw/zinc/84/09/64/632840964.db2.gz XSYRATPBPYUMHC-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP CC(C)CCNC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000170912685 637105568 /nfs/dbraw/zinc/10/55/68/637105568.db2.gz FZCDOTLLBZENSI-UHFFFAOYSA-N 2 1 283.420 0.101 20 30 CCEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)CC#N ZINC000930060008 638058054 /nfs/dbraw/zinc/05/80/54/638058054.db2.gz IVMKAFUDBQDVMP-MQYQWHSLSA-N 2 1 267.373 0.444 20 30 CCEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)CC#N ZINC000930060008 638058063 /nfs/dbraw/zinc/05/80/63/638058063.db2.gz IVMKAFUDBQDVMP-MQYQWHSLSA-N 2 1 267.373 0.444 20 30 CCEDMP C[NH+]=C(NCc1ccccn1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083131251 638793373 /nfs/dbraw/zinc/79/33/73/638793373.db2.gz KTZMSDIMJWPVIO-CYBMUJFWSA-N 2 1 273.384 0.983 20 30 CCEDMP C[NH+]=C(NCc1ccccn1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083131251 638793374 /nfs/dbraw/zinc/79/33/74/638793374.db2.gz KTZMSDIMJWPVIO-CYBMUJFWSA-N 2 1 273.384 0.983 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996719174 638829991 /nfs/dbraw/zinc/82/99/91/638829991.db2.gz YJIIMCDZRLSZCJ-TZMCWYRMSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996719174 638829994 /nfs/dbraw/zinc/82/99/94/638829994.db2.gz YJIIMCDZRLSZCJ-TZMCWYRMSA-N 2 1 281.400 0.472 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999295046 638972358 /nfs/dbraw/zinc/97/23/58/638972358.db2.gz FZCIMAPLLNBPBX-NRXISQOPSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999295046 638972361 /nfs/dbraw/zinc/97/23/61/638972361.db2.gz FZCIMAPLLNBPBX-NRXISQOPSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999997732 639030485 /nfs/dbraw/zinc/03/04/85/639030485.db2.gz HTXWYCQRJGJWQX-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999997732 639030490 /nfs/dbraw/zinc/03/04/90/639030490.db2.gz HTXWYCQRJGJWQX-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001000195105 639051629 /nfs/dbraw/zinc/05/16/29/639051629.db2.gz XKBQXKVSJYKATQ-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014922050 650503892 /nfs/dbraw/zinc/50/38/92/650503892.db2.gz YUHVACPOVRMIID-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014922050 650503894 /nfs/dbraw/zinc/50/38/94/650503894.db2.gz YUHVACPOVRMIID-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014922050 650503895 /nfs/dbraw/zinc/50/38/95/650503895.db2.gz YUHVACPOVRMIID-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014922050 650503896 /nfs/dbraw/zinc/50/38/96/650503896.db2.gz YUHVACPOVRMIID-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003629463 639579429 /nfs/dbraw/zinc/57/94/29/639579429.db2.gz BFAHGWNJKKBUJF-GXTWGEPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003632545 639581763 /nfs/dbraw/zinc/58/17/63/639581763.db2.gz ARROVFYGDJEYIS-HIFRSBDPSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003632553 639582854 /nfs/dbraw/zinc/58/28/54/639582854.db2.gz ARROVFYGDJEYIS-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015090173 650527222 /nfs/dbraw/zinc/52/72/22/650527222.db2.gz PLBOZMNQJDCKAR-CYBMUJFWSA-N 2 1 263.385 0.991 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015090173 650527227 /nfs/dbraw/zinc/52/72/27/650527227.db2.gz PLBOZMNQJDCKAR-CYBMUJFWSA-N 2 1 263.385 0.991 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005178322 639886577 /nfs/dbraw/zinc/88/65/77/639886577.db2.gz HSAAXBMKFAOXHK-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015275045 650548101 /nfs/dbraw/zinc/54/81/01/650548101.db2.gz VSLWWXYAALGVGG-CYBMUJFWSA-N 2 1 268.320 0.772 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015275045 650548106 /nfs/dbraw/zinc/54/81/06/650548106.db2.gz VSLWWXYAALGVGG-CYBMUJFWSA-N 2 1 268.320 0.772 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015710469 650613592 /nfs/dbraw/zinc/61/35/92/650613592.db2.gz MJYCBASCJYFOSC-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015710469 650613594 /nfs/dbraw/zinc/61/35/94/650613594.db2.gz MJYCBASCJYFOSC-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015710469 650613597 /nfs/dbraw/zinc/61/35/97/650613597.db2.gz MJYCBASCJYFOSC-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015710469 650613600 /nfs/dbraw/zinc/61/36/00/650613600.db2.gz MJYCBASCJYFOSC-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001015705447 650611856 /nfs/dbraw/zinc/61/18/56/650611856.db2.gz LJVWFDRTGLADSJ-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015705447 650611860 /nfs/dbraw/zinc/61/18/60/650611860.db2.gz LJVWFDRTGLADSJ-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015705447 650611862 /nfs/dbraw/zinc/61/18/62/650611862.db2.gz LJVWFDRTGLADSJ-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001015702072 650612299 /nfs/dbraw/zinc/61/22/99/650612299.db2.gz LLYRSENFZHUQSG-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015702072 650612301 /nfs/dbraw/zinc/61/23/01/650612301.db2.gz LLYRSENFZHUQSG-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015702072 650612302 /nfs/dbraw/zinc/61/23/02/650612302.db2.gz LLYRSENFZHUQSG-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015710470 650613459 /nfs/dbraw/zinc/61/34/59/650613459.db2.gz MJYCBASCJYFOSC-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015710470 650613463 /nfs/dbraw/zinc/61/34/63/650613463.db2.gz MJYCBASCJYFOSC-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015710470 650613466 /nfs/dbraw/zinc/61/34/66/650613466.db2.gz MJYCBASCJYFOSC-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015710470 650613467 /nfs/dbraw/zinc/61/34/67/650613467.db2.gz MJYCBASCJYFOSC-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834493199 642584279 /nfs/dbraw/zinc/58/42/79/642584279.db2.gz BPPDHFDRAKYBDR-VXGBXAGGSA-N 2 1 261.329 0.200 20 30 CCEDMP N#Cc1ccc([C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000843062728 642985804 /nfs/dbraw/zinc/98/58/04/642985804.db2.gz ROWWSMBQGBWYQD-JKSUJKDBSA-N 2 1 289.379 0.638 20 30 CCEDMP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000852864044 644029642 /nfs/dbraw/zinc/02/96/42/644029642.db2.gz VVQUSPCQASMGKJ-AWEZNQCLSA-N 2 1 293.411 0.074 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001019152847 650942517 /nfs/dbraw/zinc/94/25/17/650942517.db2.gz JIDJJLRKTVVNMD-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000886353384 647969949 /nfs/dbraw/zinc/96/99/49/647969949.db2.gz IEQXVTVMSBUKRU-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000886353384 647969955 /nfs/dbraw/zinc/96/99/55/647969955.db2.gz IEQXVTVMSBUKRU-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000104172549 648204234 /nfs/dbraw/zinc/20/42/34/648204234.db2.gz CQEMSSBZEZGGJA-QWRGUYRKSA-N 2 1 254.378 0.410 20 30 CCEDMP CC[C@H](C)NC(=[NH2+])NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000303369486 649817516 /nfs/dbraw/zinc/81/75/16/649817516.db2.gz JQGXLXFSYREVGB-KBPBESRZSA-N 2 1 283.464 0.963 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000303869641 649825808 /nfs/dbraw/zinc/82/58/08/649825808.db2.gz FBFRPXYPEDRZEZ-AWEZNQCLSA-N 2 1 299.463 0.201 20 30 CCEDMP CSC(C)(C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304489355 649836433 /nfs/dbraw/zinc/83/64/33/649836433.db2.gz LDOCBSVNUFWWFC-UHFFFAOYSA-N 2 1 288.461 0.755 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266352850 790570025 /nfs/dbraw/zinc/57/00/25/790570025.db2.gz JFDVEVIGSPFVKB-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266352850 790570037 /nfs/dbraw/zinc/57/00/37/790570037.db2.gz JFDVEVIGSPFVKB-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266352850 790570040 /nfs/dbraw/zinc/57/00/40/790570040.db2.gz JFDVEVIGSPFVKB-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001266411769 790657050 /nfs/dbraw/zinc/65/70/50/790657050.db2.gz DLYMSXNQXLJJAQ-AWEZNQCLSA-N 2 1 263.385 0.588 20 30 CCEDMP CC#CC[NH+](CC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266428250 790687241 /nfs/dbraw/zinc/68/72/41/790687241.db2.gz NRFHCCZHSYGKKM-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001266523783 790867156 /nfs/dbraw/zinc/86/71/56/790867156.db2.gz VHFYQMVYVBVNGR-AWEZNQCLSA-N 2 1 274.368 0.653 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001266523783 790867172 /nfs/dbraw/zinc/86/71/72/790867172.db2.gz VHFYQMVYVBVNGR-AWEZNQCLSA-N 2 1 274.368 0.653 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001100459164 790889539 /nfs/dbraw/zinc/88/95/39/790889539.db2.gz SQSYXFWHOKNAGG-UHFFFAOYSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001266950310 791385252 /nfs/dbraw/zinc/38/52/52/791385252.db2.gz TZXWMFAOBBTQDV-UONOGXRCSA-N 2 1 265.401 0.834 20 30 CCEDMP COCC#CC[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001267117095 791557984 /nfs/dbraw/zinc/55/79/84/791557984.db2.gz MUIBFTZDUIBIMR-UHFFFAOYSA-N 2 1 269.389 0.024 20 30 CCEDMP C=CCC[C@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246026323 807123241 /nfs/dbraw/zinc/12/32/41/807123241.db2.gz FBUHNSXQCJXMKD-ZDUSSCGKSA-N 2 1 253.390 0.341 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246029267 807127218 /nfs/dbraw/zinc/12/72/18/807127218.db2.gz LMYCLNYTDJQDOB-BFHYXJOUSA-N 2 1 256.390 0.857 20 30 CCEDMP N#CCCCN1C[C@@H]2OCCN(CCn3ccnc3)[C@H]2C1 ZINC001277945020 806422192 /nfs/dbraw/zinc/42/21/92/806422192.db2.gz JNESNPSUKCTSAZ-GJZGRUSLSA-N 2 1 289.383 0.572 20 30 CCEDMP C=CCN1CC[N@@H+](C)C2(CCN(C[C@H](C)[NH3+])CC2)C1=O ZINC001235591731 806467787 /nfs/dbraw/zinc/46/77/87/806467787.db2.gz BKCJZMXJPDYGBS-ZDUSSCGKSA-N 2 1 280.416 0.128 20 30 CCEDMP C=CCN1CC[N@H+](C)C2(CCN(C[C@H](C)[NH3+])CC2)C1=O ZINC001235591731 806467789 /nfs/dbraw/zinc/46/77/89/806467789.db2.gz BKCJZMXJPDYGBS-ZDUSSCGKSA-N 2 1 280.416 0.128 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001277956040 806471035 /nfs/dbraw/zinc/47/10/35/806471035.db2.gz GCFHPUDZNQPCSN-HNNXBMFYSA-N 2 1 293.411 0.313 20 30 CCEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001124835590 799638897 /nfs/dbraw/zinc/63/88/97/799638897.db2.gz BHGZLTSQQQDSDW-OAHLLOKOSA-N 2 1 286.379 0.858 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242341 800327098 /nfs/dbraw/zinc/32/70/98/800327098.db2.gz WAOMBAIQSSQSDF-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291812 800329653 /nfs/dbraw/zinc/32/96/53/800329653.db2.gz NYOBKTNUJAMQSK-LSDHHAIUSA-N 2 1 295.427 0.413 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291812 800329660 /nfs/dbraw/zinc/32/96/60/800329660.db2.gz NYOBKTNUJAMQSK-LSDHHAIUSA-N 2 1 295.427 0.413 20 30 CCEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150716271 800363033 /nfs/dbraw/zinc/36/30/33/800363033.db2.gz QEMGCYDOFNWXPJ-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033852 800708428 /nfs/dbraw/zinc/70/84/28/800708428.db2.gz PARVTXHTQJZMMP-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033852 800708434 /nfs/dbraw/zinc/70/84/34/800708434.db2.gz PARVTXHTQJZMMP-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033852 800708437 /nfs/dbraw/zinc/70/84/37/800708437.db2.gz PARVTXHTQJZMMP-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159878213 801885519 /nfs/dbraw/zinc/88/55/19/801885519.db2.gz WFAJROFPJRJOLC-AWEZNQCLSA-N 2 1 293.415 0.485 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C/C=C\Cl ZINC001160209505 801920315 /nfs/dbraw/zinc/92/03/15/801920315.db2.gz NKKCAQVTNFGYJN-IRBQFCFKSA-N 2 1 283.803 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C/C=C\Cl ZINC001160209505 801920317 /nfs/dbraw/zinc/92/03/17/801920317.db2.gz NKKCAQVTNFGYJN-IRBQFCFKSA-N 2 1 283.803 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(C)C ZINC001160209504 801920655 /nfs/dbraw/zinc/92/06/55/801920655.db2.gz NJKBHMPKWLPNNJ-AWEZNQCLSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(C)C ZINC001160209504 801920660 /nfs/dbraw/zinc/92/06/60/801920660.db2.gz NJKBHMPKWLPNNJ-AWEZNQCLSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](CC)OC ZINC001160209447 801920751 /nfs/dbraw/zinc/92/07/51/801920751.db2.gz KNFAUGYXGNZNNZ-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](CC)OC ZINC001160209447 801920759 /nfs/dbraw/zinc/92/07/59/801920759.db2.gz KNFAUGYXGNZNNZ-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001161649852 802192089 /nfs/dbraw/zinc/19/20/89/802192089.db2.gz YZMHBFIMNLKSGV-CQSZACIVSA-N 2 1 265.401 0.836 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162606678 802377130 /nfs/dbraw/zinc/37/71/30/802377130.db2.gz ULZYPVSHRCVUIH-UHFFFAOYSA-N 2 1 250.346 0.864 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC)CC1 ZINC001165545798 802852784 /nfs/dbraw/zinc/85/27/84/802852784.db2.gz PIKAMCFTHLEKCS-AWEZNQCLSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC)CC1 ZINC001165545798 802852786 /nfs/dbraw/zinc/85/27/86/802852786.db2.gz PIKAMCFTHLEKCS-AWEZNQCLSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001268258000 812425477 /nfs/dbraw/zinc/42/54/77/812425477.db2.gz ZKHLFIRPJCYHCJ-ZDUSSCGKSA-N 2 1 251.374 0.352 20 30 CCEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268258000 812425483 /nfs/dbraw/zinc/42/54/83/812425483.db2.gz ZKHLFIRPJCYHCJ-ZDUSSCGKSA-N 2 1 251.374 0.352 20 30 CCEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268258000 812425487 /nfs/dbraw/zinc/42/54/87/812425487.db2.gz ZKHLFIRPJCYHCJ-ZDUSSCGKSA-N 2 1 251.374 0.352 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206281154 803223221 /nfs/dbraw/zinc/22/32/21/803223221.db2.gz CXKHHAOLCMYJSE-UKRRQHHQSA-N 2 1 277.412 0.646 20 30 CCEDMP CN(CCC#N)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206476978 803250060 /nfs/dbraw/zinc/25/00/60/803250060.db2.gz ZRNUVPNUYBWXDW-GOEBONIOSA-N 2 1 288.395 0.788 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207547347 803418880 /nfs/dbraw/zinc/41/88/80/803418880.db2.gz TWSGHIUQTWJROM-MRVWCRGKSA-N 2 1 265.401 0.949 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207683924 803436707 /nfs/dbraw/zinc/43/67/07/803436707.db2.gz IEKCLIHSYGGNOX-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208493317 803518477 /nfs/dbraw/zinc/51/84/77/803518477.db2.gz ZFEQYYNMBQTNSL-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211055104 803666305 /nfs/dbraw/zinc/66/63/05/803666305.db2.gz YOPNIGHTNQBFFJ-QLFBSQMISA-N 2 1 293.411 0.024 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213596829 803698075 /nfs/dbraw/zinc/69/80/75/803698075.db2.gz MKXOXLGPGDZDKX-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213596829 803698081 /nfs/dbraw/zinc/69/80/81/803698081.db2.gz MKXOXLGPGDZDKX-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081937 804728523 /nfs/dbraw/zinc/72/85/23/804728523.db2.gz ZCQWEVRDXXFOAK-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C=CC[NH2+]CCN1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001222669047 804924879 /nfs/dbraw/zinc/92/48/79/804924879.db2.gz RBGOBMYSUQOSLG-AWEZNQCLSA-N 2 1 252.406 0.180 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223388170 804969025 /nfs/dbraw/zinc/96/90/25/804969025.db2.gz ZMVVBWADZNKITN-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCOCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001278368751 807042609 /nfs/dbraw/zinc/04/26/09/807042609.db2.gz GRWMZKKYSQMTDK-HOCLYGCPSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278368751 807042618 /nfs/dbraw/zinc/04/26/18/807042618.db2.gz GRWMZKKYSQMTDK-HOCLYGCPSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278368751 807042628 /nfs/dbraw/zinc/04/26/28/807042628.db2.gz GRWMZKKYSQMTDK-HOCLYGCPSA-N 2 1 295.427 0.864 20 30 CCEDMP C[NH+]1[C@@H]2C[C@@H](OC[C@@H]3CCC[N@H+]3C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224816784 805081316 /nfs/dbraw/zinc/08/13/16/805081316.db2.gz AIXACDHGLQNUEA-ARFNZGECSA-N 2 1 252.358 0.710 20 30 CCEDMP C[NH+]1[C@@H]2C[C@@H](OC[C@@H]3CCC[N@@H+]3C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224816784 805081326 /nfs/dbraw/zinc/08/13/26/805081326.db2.gz AIXACDHGLQNUEA-ARFNZGECSA-N 2 1 252.358 0.710 20 30 CCEDMP C[NH+]1CCC[C@H]1CO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001224816784 805081336 /nfs/dbraw/zinc/08/13/36/805081336.db2.gz AIXACDHGLQNUEA-ARFNZGECSA-N 2 1 252.358 0.710 20 30 CCEDMP C[NH+]1CCC[C@H]1CO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001224816784 805081343 /nfs/dbraw/zinc/08/13/43/805081343.db2.gz AIXACDHGLQNUEA-ARFNZGECSA-N 2 1 252.358 0.710 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225525651 805138926 /nfs/dbraw/zinc/13/89/26/805138926.db2.gz SIHXMXCPRLWWKV-RBSFLKMASA-N 2 1 293.411 0.357 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225525651 805138930 /nfs/dbraw/zinc/13/89/30/805138930.db2.gz SIHXMXCPRLWWKV-RBSFLKMASA-N 2 1 293.411 0.357 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001228053208 805411506 /nfs/dbraw/zinc/41/15/06/805411506.db2.gz AEAMCWXBCDYATI-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCOC[C@H](O)CNC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245985119 807107215 /nfs/dbraw/zinc/10/72/15/807107215.db2.gz KWIHUIGRUJXIOL-UONOGXRCSA-N 2 1 283.416 0.014 20 30 CCEDMP C=CCOC[C@@H](O)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246021445 807120062 /nfs/dbraw/zinc/12/00/62/807120062.db2.gz MNOPBIWWHJWUHI-QWHCGFSZSA-N 2 1 260.353 0.703 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246021445 807120067 /nfs/dbraw/zinc/12/00/67/807120067.db2.gz MNOPBIWWHJWUHI-QWHCGFSZSA-N 2 1 260.353 0.703 20 30 CCEDMP N#C[C@@H]1C[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CCN1 ZINC001246556975 807285471 /nfs/dbraw/zinc/28/54/71/807285471.db2.gz IWCMKTVPAGDZKT-RWMBFGLXSA-N 2 1 254.353 0.783 20 30 CCEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582641 807304170 /nfs/dbraw/zinc/30/41/70/807304170.db2.gz HEKQDZSMTPJMRB-CQDKDKBSSA-N 2 1 259.353 0.741 20 30 CCEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246583208 807305060 /nfs/dbraw/zinc/30/50/60/807305060.db2.gz ISBXIBRVYKYZHW-CQDKDKBSSA-N 2 1 259.353 0.741 20 30 CCEDMP C=CCOC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001252483296 807888997 /nfs/dbraw/zinc/88/89/97/807888997.db2.gz SEIJKBAZKUVVOK-KGLIPLIRSA-N 2 1 256.390 0.871 20 30 CCEDMP C=C[C@@](C)(O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252549136 807905816 /nfs/dbraw/zinc/90/58/16/807905816.db2.gz CEIXEJKKSLGYHE-RRFJBIMHSA-N 2 1 267.417 0.634 20 30 CCEDMP C=C[C@](C)(O)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001252554110 807909898 /nfs/dbraw/zinc/90/98/98/807909898.db2.gz BIERGXWRGZFPRP-INIZCTEOSA-N 2 1 295.427 0.409 20 30 CCEDMP C[N@@H+]1CCC[C@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C1 ZINC001255472745 808379921 /nfs/dbraw/zinc/37/99/21/808379921.db2.gz FWGWRLYBBJSKHX-LBPRGKRZSA-N 2 1 260.341 0.585 20 30 CCEDMP C[N@H+]1CCC[C@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C1 ZINC001255472745 808379928 /nfs/dbraw/zinc/37/99/28/808379928.db2.gz FWGWRLYBBJSKHX-LBPRGKRZSA-N 2 1 260.341 0.585 20 30 CCEDMP C#CCOCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256618880 808542210 /nfs/dbraw/zinc/54/22/10/808542210.db2.gz QHBBPMDGYCOQQS-GOOCMWNKSA-N 2 1 266.385 0.868 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001076144765 815249872 /nfs/dbraw/zinc/24/98/72/815249872.db2.gz HMOJCUBTGJPXEC-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001076144765 815249877 /nfs/dbraw/zinc/24/98/77/815249877.db2.gz HMOJCUBTGJPXEC-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001076144765 815249882 /nfs/dbraw/zinc/24/98/82/815249882.db2.gz HMOJCUBTGJPXEC-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001076144765 815249887 /nfs/dbraw/zinc/24/98/87/815249887.db2.gz HMOJCUBTGJPXEC-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001263857458 809590153 /nfs/dbraw/zinc/59/01/53/809590153.db2.gz RWZSSCHUPSVLTO-RBSFLKMASA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001263857458 809590160 /nfs/dbraw/zinc/59/01/60/809590160.db2.gz RWZSSCHUPSVLTO-RBSFLKMASA-N 2 1 295.427 0.768 20 30 CCEDMP CC#CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001265377903 809768098 /nfs/dbraw/zinc/76/80/98/809768098.db2.gz DVATVRVBEDIUMC-DZGCQCFKSA-N 2 1 277.412 0.836 20 30 CCEDMP COCC#CC[N@@H+](C)CCCNC(=O)Cc1[nH]cnc1C ZINC001265962339 809906537 /nfs/dbraw/zinc/90/65/37/809906537.db2.gz YYGXUWJYTBBDRM-UHFFFAOYSA-N 2 1 292.383 0.349 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266096710 809935882 /nfs/dbraw/zinc/93/58/82/809935882.db2.gz JDJORPUFIQPZFR-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266096710 809935887 /nfs/dbraw/zinc/93/58/87/809935887.db2.gz JDJORPUFIQPZFR-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001266096710 809935892 /nfs/dbraw/zinc/93/58/92/809935892.db2.gz JDJORPUFIQPZFR-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001266096710 809935897 /nfs/dbraw/zinc/93/58/97/809935897.db2.gz JDJORPUFIQPZFR-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001266240077 809970559 /nfs/dbraw/zinc/97/05/59/809970559.db2.gz OFWUNWHYUCHHRX-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001266240077 809970562 /nfs/dbraw/zinc/97/05/62/809970562.db2.gz OFWUNWHYUCHHRX-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001267275579 811080247 /nfs/dbraw/zinc/08/02/47/811080247.db2.gz XYGNICMUZGUKBN-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267282736 811092290 /nfs/dbraw/zinc/09/22/90/811092290.db2.gz SSDMFSLTDOJVKO-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267282736 811092298 /nfs/dbraw/zinc/09/22/98/811092298.db2.gz SSDMFSLTDOJVKO-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267282736 811092308 /nfs/dbraw/zinc/09/23/08/811092308.db2.gz SSDMFSLTDOJVKO-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077129134 815448957 /nfs/dbraw/zinc/44/89/57/815448957.db2.gz VFTCSTIHEPONOF-RRFJBIMHSA-N 2 1 295.427 0.312 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077129134 815448960 /nfs/dbraw/zinc/44/89/60/815448960.db2.gz VFTCSTIHEPONOF-RRFJBIMHSA-N 2 1 295.427 0.312 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077129134 815448961 /nfs/dbraw/zinc/44/89/61/815448961.db2.gz VFTCSTIHEPONOF-RRFJBIMHSA-N 2 1 295.427 0.312 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077129134 815448964 /nfs/dbraw/zinc/44/89/64/815448964.db2.gz VFTCSTIHEPONOF-RRFJBIMHSA-N 2 1 295.427 0.312 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083571742 815480265 /nfs/dbraw/zinc/48/02/65/815480265.db2.gz JURQPFPFLCEYQE-RDBSUJKOSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083571742 815480269 /nfs/dbraw/zinc/48/02/69/815480269.db2.gz JURQPFPFLCEYQE-RDBSUJKOSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083571742 815480273 /nfs/dbraw/zinc/48/02/73/815480273.db2.gz JURQPFPFLCEYQE-RDBSUJKOSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083571742 815480277 /nfs/dbraw/zinc/48/02/77/815480277.db2.gz JURQPFPFLCEYQE-RDBSUJKOSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001267919568 811870673 /nfs/dbraw/zinc/87/06/73/811870673.db2.gz KFEDPHVPRFWZSZ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001267919568 811870684 /nfs/dbraw/zinc/87/06/84/811870684.db2.gz KFEDPHVPRFWZSZ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267919568 811870694 /nfs/dbraw/zinc/87/06/94/811870694.db2.gz KFEDPHVPRFWZSZ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267919568 811870703 /nfs/dbraw/zinc/87/07/03/811870703.db2.gz KFEDPHVPRFWZSZ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027884019 812115916 /nfs/dbraw/zinc/11/59/16/812115916.db2.gz FQRVCZCFFGTTLE-CABCVRRESA-N 2 1 275.396 0.542 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027886844 812119113 /nfs/dbraw/zinc/11/91/13/812119113.db2.gz YPKQAKBWELMILV-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027965896 812175375 /nfs/dbraw/zinc/17/53/75/812175375.db2.gz HTKVONIFGUAZNK-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027965896 812175379 /nfs/dbraw/zinc/17/53/79/812175379.db2.gz HTKVONIFGUAZNK-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027965896 812175384 /nfs/dbraw/zinc/17/53/84/812175384.db2.gz HTKVONIFGUAZNK-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027965896 812175387 /nfs/dbraw/zinc/17/53/87/812175387.db2.gz HTKVONIFGUAZNK-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268797950 813091401 /nfs/dbraw/zinc/09/14/01/813091401.db2.gz CERIHIXSMMGBDK-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001268906731 813140252 /nfs/dbraw/zinc/14/02/52/813140252.db2.gz VJFDQSQWVULCQJ-AWEZNQCLSA-N 2 1 281.400 0.189 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028987224 813727065 /nfs/dbraw/zinc/72/70/65/813727065.db2.gz WKINHRDIKWGJPJ-KBPBESRZSA-N 2 1 265.401 0.952 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028987224 813727070 /nfs/dbraw/zinc/72/70/70/813727070.db2.gz WKINHRDIKWGJPJ-KBPBESRZSA-N 2 1 265.401 0.952 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028987224 813727075 /nfs/dbraw/zinc/72/70/75/813727075.db2.gz WKINHRDIKWGJPJ-KBPBESRZSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573765 814168568 /nfs/dbraw/zinc/16/85/68/814168568.db2.gz DABBLOQHGLOYPX-OWCLPIDISA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001087711231 814193036 /nfs/dbraw/zinc/19/30/36/814193036.db2.gz SAAZBXDZCBYEQS-LSDHHAIUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC)CC[C@@H]2C1 ZINC001087997835 814307135 /nfs/dbraw/zinc/30/71/35/814307135.db2.gz BIDHRBIOUAYUET-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC)CC[C@@H]2C1 ZINC001087997835 814307142 /nfs/dbraw/zinc/30/71/42/814307142.db2.gz BIDHRBIOUAYUET-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC)CC[C@@H]2C1 ZINC001087997835 814307150 /nfs/dbraw/zinc/30/71/50/814307150.db2.gz BIDHRBIOUAYUET-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC)CC[C@@H]2C1 ZINC001087997835 814307159 /nfs/dbraw/zinc/30/71/59/814307159.db2.gz BIDHRBIOUAYUET-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001271349504 814388829 /nfs/dbraw/zinc/38/88/29/814388829.db2.gz HRNITXCVJCFDTR-UHFFFAOYSA-N 2 1 295.427 0.457 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090584 814402749 /nfs/dbraw/zinc/40/27/49/814402749.db2.gz WMNBVPZBFBOBBT-CVEARBPZSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088572166 814923544 /nfs/dbraw/zinc/92/35/44/814923544.db2.gz ZSOKKMLUYIABTD-KBMXLJTQSA-N 2 1 289.423 0.931 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105945014 816019435 /nfs/dbraw/zinc/01/94/35/816019435.db2.gz HWEKUSSFSPAERL-MCIONIFRSA-N 2 1 265.401 0.951 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001088981469 816201198 /nfs/dbraw/zinc/20/11/98/816201198.db2.gz VDHUSMMRTNFDJQ-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001088981469 816201200 /nfs/dbraw/zinc/20/12/00/816201200.db2.gz VDHUSMMRTNFDJQ-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001088981469 816201204 /nfs/dbraw/zinc/20/12/04/816201204.db2.gz VDHUSMMRTNFDJQ-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001030955127 816497659 /nfs/dbraw/zinc/49/76/59/816497659.db2.gz DZENXRWIZBLBSZ-LBPRGKRZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001030955127 816497664 /nfs/dbraw/zinc/49/76/64/816497664.db2.gz DZENXRWIZBLBSZ-LBPRGKRZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCCN1CC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030964314 816511723 /nfs/dbraw/zinc/51/17/23/816511723.db2.gz ULHPECPBGJFZGZ-YPMHNXCESA-N 2 1 251.374 0.561 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030964314 816511726 /nfs/dbraw/zinc/51/17/26/816511726.db2.gz ULHPECPBGJFZGZ-YPMHNXCESA-N 2 1 251.374 0.561 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030964314 816511730 /nfs/dbraw/zinc/51/17/30/816511730.db2.gz ULHPECPBGJFZGZ-YPMHNXCESA-N 2 1 251.374 0.561 20 30 CCEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221414 817732154 /nfs/dbraw/zinc/73/21/54/817732154.db2.gz QDBWUQHBRQUJLX-CQSZACIVSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221414 817732158 /nfs/dbraw/zinc/73/21/58/817732158.db2.gz QDBWUQHBRQUJLX-CQSZACIVSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785560 817867586 /nfs/dbraw/zinc/86/75/86/817867586.db2.gz NAPKZIBIXBKNDD-OLZOCXBDSA-N 2 1 267.373 0.132 20 30 CCEDMP C=CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083832729 818527656 /nfs/dbraw/zinc/52/76/56/818527656.db2.gz SKOVSMZFLGALKY-ILXRZTDVSA-N 2 1 295.427 0.597 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001033774947 818928054 /nfs/dbraw/zinc/92/80/54/818928054.db2.gz LDQPUBXUAGRUPV-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001033774947 818928060 /nfs/dbraw/zinc/92/80/60/818928060.db2.gz LDQPUBXUAGRUPV-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001033774947 818928064 /nfs/dbraw/zinc/92/80/64/818928064.db2.gz LDQPUBXUAGRUPV-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001033774947 818928071 /nfs/dbraw/zinc/92/80/71/818928071.db2.gz LDQPUBXUAGRUPV-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001035313026 819463303 /nfs/dbraw/zinc/46/33/03/819463303.db2.gz LWZFZVGJYRHTET-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035313026 819463305 /nfs/dbraw/zinc/46/33/05/819463305.db2.gz LWZFZVGJYRHTET-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035313026 819463310 /nfs/dbraw/zinc/46/33/10/819463310.db2.gz LWZFZVGJYRHTET-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080377322 820555736 /nfs/dbraw/zinc/55/57/36/820555736.db2.gz LKUJECKZMVVOEZ-TZMCWYRMSA-N 2 1 265.401 0.951 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001080449468 820574213 /nfs/dbraw/zinc/57/42/13/820574213.db2.gz MGJIPZFKIFXNJP-RRFJBIMHSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001080449468 820574226 /nfs/dbraw/zinc/57/42/26/820574226.db2.gz MGJIPZFKIFXNJP-RRFJBIMHSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080449468 820574232 /nfs/dbraw/zinc/57/42/32/820574232.db2.gz MGJIPZFKIFXNJP-RRFJBIMHSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CCN1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132730 820905603 /nfs/dbraw/zinc/90/56/03/820905603.db2.gz PEOYEUKIPZHGKZ-RRFJBIMHSA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CCN1C[C@@H](NC(=O)CN2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132730 820905608 /nfs/dbraw/zinc/90/56/08/820905608.db2.gz PEOYEUKIPZHGKZ-RRFJBIMHSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001082595252 821004901 /nfs/dbraw/zinc/00/49/01/821004901.db2.gz CTRFBNBJEWQYJO-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084232120 821247006 /nfs/dbraw/zinc/24/70/06/821247006.db2.gz UIGUUYMYUVIYAZ-RBSFLKMASA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084232120 821247013 /nfs/dbraw/zinc/24/70/13/821247013.db2.gz UIGUUYMYUVIYAZ-RBSFLKMASA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084232120 821247022 /nfs/dbraw/zinc/24/70/22/821247022.db2.gz UIGUUYMYUVIYAZ-RBSFLKMASA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084232120 821247027 /nfs/dbraw/zinc/24/70/27/821247027.db2.gz UIGUUYMYUVIYAZ-RBSFLKMASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084667442 821344186 /nfs/dbraw/zinc/34/41/86/821344186.db2.gz DRNGENANAKWVFV-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973706 821677599 /nfs/dbraw/zinc/67/75/99/821677599.db2.gz HPLJGRMXSLMXMH-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cncs1 ZINC001129770355 837558822 /nfs/dbraw/zinc/55/88/22/837558822.db2.gz DSDUFGKDNPMMBT-ZDUSSCGKSA-N 2 1 292.408 0.447 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cncs1 ZINC001129770355 837558831 /nfs/dbraw/zinc/55/88/31/837558831.db2.gz DSDUFGKDNPMMBT-ZDUSSCGKSA-N 2 1 292.408 0.447 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130189083 837719679 /nfs/dbraw/zinc/71/96/79/837719679.db2.gz NCWUQHIPQXPLNG-KGLIPLIRSA-N 2 1 263.385 0.732 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187824968 844777650 /nfs/dbraw/zinc/77/76/50/844777650.db2.gz DQKYOJANSUEPCP-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363029 836522817 /nfs/dbraw/zinc/52/28/17/836522817.db2.gz DLIWGDPWRDWDPF-HNNXBMFYSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673932 836714405 /nfs/dbraw/zinc/71/44/05/836714405.db2.gz UKMMNLACYKEKAG-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCCN1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001113571314 837162135 /nfs/dbraw/zinc/16/21/35/837162135.db2.gz HEAFNVXHNZQDBG-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001113571314 837162137 /nfs/dbraw/zinc/16/21/37/837162137.db2.gz HEAFNVXHNZQDBG-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001113571314 837162139 /nfs/dbraw/zinc/16/21/39/837162139.db2.gz HEAFNVXHNZQDBG-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001086658938 838004945 /nfs/dbraw/zinc/00/49/45/838004945.db2.gz FWHDRUMAZOERPB-MJBXVCDLSA-N 2 1 263.385 0.588 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848603 838505668 /nfs/dbraw/zinc/50/56/68/838505668.db2.gz MLXXABYMVRVVEA-AWEZNQCLSA-N 2 1 283.416 0.768 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133863793 838752812 /nfs/dbraw/zinc/75/28/12/838752812.db2.gz POOPYEZOCNWNED-STQMWFEESA-N 2 1 253.390 0.856 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608117 839025247 /nfs/dbraw/zinc/02/52/47/839025247.db2.gz QXIPEZNFXGRITM-QWHCGFSZSA-N 2 1 265.401 0.977 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135093831 839163457 /nfs/dbraw/zinc/16/34/57/839163457.db2.gz STHKLBBXDGQMAO-QWHCGFSZSA-N 2 1 251.374 0.895 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135093832 839163679 /nfs/dbraw/zinc/16/36/79/839163679.db2.gz STHKLBBXDGQMAO-STQMWFEESA-N 2 1 251.374 0.895 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246019928 839582239 /nfs/dbraw/zinc/58/22/39/839582239.db2.gz JBNPXOTZVRZKMF-MELADBBJSA-N 2 1 254.374 0.304 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731658 839759660 /nfs/dbraw/zinc/75/96/60/839759660.db2.gz UMSBXRKGLFCZMD-ZIAGYGMSSA-N 2 1 293.411 0.210 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171227348 840151488 /nfs/dbraw/zinc/15/14/88/840151488.db2.gz OEPJHFWPMHIALP-CQSZACIVSA-N 2 1 283.416 0.627 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093193401 841171022 /nfs/dbraw/zinc/17/10/22/841171022.db2.gz ICKQPXAHOCSJDD-MGPQQGTHSA-N 2 1 265.401 0.808 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093194919 841170892 /nfs/dbraw/zinc/17/08/92/841170892.db2.gz GMZSKJLMVSPXKI-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093194919 841170900 /nfs/dbraw/zinc/17/09/00/841170900.db2.gz GMZSKJLMVSPXKI-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093194919 841170905 /nfs/dbraw/zinc/17/09/05/841170905.db2.gz GMZSKJLMVSPXKI-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093193401 841171015 /nfs/dbraw/zinc/17/10/15/841171015.db2.gz ICKQPXAHOCSJDD-MGPQQGTHSA-N 2 1 265.401 0.808 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193401 841171005 /nfs/dbraw/zinc/17/10/05/841171005.db2.gz ICKQPXAHOCSJDD-MGPQQGTHSA-N 2 1 265.401 0.808 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC)[C@H](C)C1 ZINC001093833172 841471764 /nfs/dbraw/zinc/47/17/64/841471764.db2.gz WDKCNNXUNOIZNS-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC)[C@H](C)C1 ZINC001093833172 841471768 /nfs/dbraw/zinc/47/17/68/841471768.db2.gz WDKCNNXUNOIZNS-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150554621 842342320 /nfs/dbraw/zinc/34/23/20/842342320.db2.gz VSXYGFWWWIEYLC-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150554621 842342333 /nfs/dbraw/zinc/34/23/33/842342333.db2.gz VSXYGFWWWIEYLC-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150554621 842342341 /nfs/dbraw/zinc/34/23/41/842342341.db2.gz VSXYGFWWWIEYLC-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150554621 842342353 /nfs/dbraw/zinc/34/23/53/842342353.db2.gz VSXYGFWWWIEYLC-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176971795 842473839 /nfs/dbraw/zinc/47/38/39/842473839.db2.gz IEEHWNBREKYYCW-UHFFFAOYSA-N 2 1 271.405 0.625 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001179852165 843063739 /nfs/dbraw/zinc/06/37/39/843063739.db2.gz BHIZGTLLOYKAHE-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182640 843111976 /nfs/dbraw/zinc/11/19/76/843111976.db2.gz IOHGNSUQECNPLD-SOUVJXGZSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182640 843111982 /nfs/dbraw/zinc/11/19/82/843111982.db2.gz IOHGNSUQECNPLD-SOUVJXGZSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180259955 843134447 /nfs/dbraw/zinc/13/44/47/843134447.db2.gz PXJDJMIKCAFIND-CQSZACIVSA-N 2 1 265.401 0.838 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001180259954 843134954 /nfs/dbraw/zinc/13/49/54/843134954.db2.gz PXJDJMIKCAFIND-AWEZNQCLSA-N 2 1 265.401 0.838 20 30 CCEDMP CC[C@H](C(=O)N(C)CCC[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001273577752 845103082 /nfs/dbraw/zinc/10/30/82/845103082.db2.gz DHGQDHWBFFCDRB-OAHLLOKOSA-N 2 1 297.443 0.757 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190444270 845400218 /nfs/dbraw/zinc/40/02/18/845400218.db2.gz QARLMQVSRSFJCV-UONOGXRCSA-N 2 1 283.391 0.832 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192017042 845772928 /nfs/dbraw/zinc/77/29/28/845772928.db2.gz NLBWIQFVLFOALR-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196114908 846693101 /nfs/dbraw/zinc/69/31/01/846693101.db2.gz GNRPHIUMNVUJLZ-HZSPNIEDSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196114908 846693105 /nfs/dbraw/zinc/69/31/05/846693105.db2.gz GNRPHIUMNVUJLZ-HZSPNIEDSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[C@@H](C(=O)OC)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001196788949 846801879 /nfs/dbraw/zinc/80/18/79/846801879.db2.gz FVZJQQCZPQQCGW-AGIUHOORSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196788949 846801890 /nfs/dbraw/zinc/80/18/90/846801890.db2.gz FVZJQQCZPQQCGW-AGIUHOORSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[C@@H](C(=O)OC)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196788949 846801898 /nfs/dbraw/zinc/80/18/98/846801898.db2.gz FVZJQQCZPQQCGW-AGIUHOORSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[C@@H](C(=O)OC)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001196788949 846801911 /nfs/dbraw/zinc/80/19/11/846801911.db2.gz FVZJQQCZPQQCGW-AGIUHOORSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[C@@H](C(=O)OC)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001196788949 846801920 /nfs/dbraw/zinc/80/19/20/846801920.db2.gz FVZJQQCZPQQCGW-AGIUHOORSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001273895023 847782646 /nfs/dbraw/zinc/78/26/46/847782646.db2.gz ZUOJJJDHCZRPEF-ZBFHGGJFSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059479 847850809 /nfs/dbraw/zinc/85/08/09/847850809.db2.gz PWTVOPBPSNZABY-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC1(O)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000717425738 848261042 /nfs/dbraw/zinc/26/10/42/848261042.db2.gz ZBUDSVUXEHUCCZ-AWEZNQCLSA-N 2 1 268.401 0.846 20 30 CCEDMP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2CCCC#N)C1=O ZINC001274039557 848314484 /nfs/dbraw/zinc/31/44/84/848314484.db2.gz GJCOXOZFOFTCCF-OAHLLOKOSA-N 2 1 278.400 0.919 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC001274280963 848438536 /nfs/dbraw/zinc/43/85/36/848438536.db2.gz QFGCJVGPEJDXTG-GJZGRUSLSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCF)C1 ZINC001275242468 848677157 /nfs/dbraw/zinc/67/71/57/848677157.db2.gz DKLFTAKYJJVEMC-RUXDESIVSA-N 2 1 281.375 0.538 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCF)C1 ZINC001275242468 848677158 /nfs/dbraw/zinc/67/71/58/848677158.db2.gz DKLFTAKYJJVEMC-RUXDESIVSA-N 2 1 281.375 0.538 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001275720718 848800981 /nfs/dbraw/zinc/80/09/81/848800981.db2.gz LRZPIWQCDBSPFG-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001275720718 848800987 /nfs/dbraw/zinc/80/09/87/848800987.db2.gz LRZPIWQCDBSPFG-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001275720718 848800992 /nfs/dbraw/zinc/80/09/92/848800992.db2.gz LRZPIWQCDBSPFG-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001275720718 848800996 /nfs/dbraw/zinc/80/09/96/848800996.db2.gz LRZPIWQCDBSPFG-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001275975448 848878176 /nfs/dbraw/zinc/87/81/76/848878176.db2.gz DGVPDDNVRDIMRQ-KBPBESRZSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111228902 849101648 /nfs/dbraw/zinc/10/16/48/849101648.db2.gz SKWNMARCHXNWHY-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111228902 849101653 /nfs/dbraw/zinc/10/16/53/849101653.db2.gz SKWNMARCHXNWHY-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111228902 849101664 /nfs/dbraw/zinc/10/16/64/849101664.db2.gz SKWNMARCHXNWHY-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281582 849150069 /nfs/dbraw/zinc/15/00/69/849150069.db2.gz YVNGWMZGXQIRRK-KFWWJZLASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038925739 850086499 /nfs/dbraw/zinc/08/64/99/850086499.db2.gz KUDRMYHVLJJNEQ-CYBMUJFWSA-N 2 1 261.369 0.296 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041356911 850436241 /nfs/dbraw/zinc/43/62/41/850436241.db2.gz DEAQIUITHBJZMF-DOTOQJQBSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CC)C2)CC1 ZINC001044335306 851081103 /nfs/dbraw/zinc/08/11/03/851081103.db2.gz HKPNMRWRIDWFDK-UHFFFAOYSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046599443 851562962 /nfs/dbraw/zinc/56/29/62/851562962.db2.gz XGLHZRVTPMUUHE-HNNXBMFYSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046856059 851632912 /nfs/dbraw/zinc/63/29/12/851632912.db2.gz ZGBUFPPNFXKKEY-GDBMZVCRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046856059 851632917 /nfs/dbraw/zinc/63/29/17/851632917.db2.gz ZGBUFPPNFXKKEY-GDBMZVCRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046856059 851632922 /nfs/dbraw/zinc/63/29/22/851632922.db2.gz ZGBUFPPNFXKKEY-GDBMZVCRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046856059 851632927 /nfs/dbraw/zinc/63/29/27/851632927.db2.gz ZGBUFPPNFXKKEY-GDBMZVCRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046926630 851645535 /nfs/dbraw/zinc/64/55/35/851645535.db2.gz UPEBJMVCFRGSJH-STQMWFEESA-N 2 1 299.365 0.787 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046926630 851645540 /nfs/dbraw/zinc/64/55/40/851645540.db2.gz UPEBJMVCFRGSJH-STQMWFEESA-N 2 1 299.365 0.787 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046926630 851645544 /nfs/dbraw/zinc/64/55/44/851645544.db2.gz UPEBJMVCFRGSJH-STQMWFEESA-N 2 1 299.365 0.787 20 30 CCEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046926630 851645556 /nfs/dbraw/zinc/64/55/56/851645556.db2.gz UPEBJMVCFRGSJH-STQMWFEESA-N 2 1 299.365 0.787 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047324478 851715588 /nfs/dbraw/zinc/71/55/88/851715588.db2.gz QBNNIOOLSBYJQO-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047626385 851838215 /nfs/dbraw/zinc/83/82/15/851838215.db2.gz BMJSUMQPYZZVOM-KBPBESRZSA-N 2 1 281.400 0.162 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863785 852088124 /nfs/dbraw/zinc/08/81/24/852088124.db2.gz LDNWQINUWFQMSR-OWCLPIDISA-N 2 1 289.423 0.740 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048864342 852089300 /nfs/dbraw/zinc/08/93/00/852089300.db2.gz XFXCMRNUUKGRJA-QLFBSQMISA-N 2 1 275.396 0.350 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052934117 852674054 /nfs/dbraw/zinc/67/40/54/852674054.db2.gz IBWNAGVJSLYUKM-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001052934117 852674056 /nfs/dbraw/zinc/67/40/56/852674056.db2.gz IBWNAGVJSLYUKM-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052934117 852674057 /nfs/dbraw/zinc/67/40/57/852674057.db2.gz IBWNAGVJSLYUKM-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050754535 853424230 /nfs/dbraw/zinc/42/42/30/853424230.db2.gz YUVKXKNGOFPAKH-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001075118732 854814763 /nfs/dbraw/zinc/81/47/63/854814763.db2.gz CUFVEUVIZCGRKQ-KKUMJFAQSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001075118732 854814766 /nfs/dbraw/zinc/81/47/66/854814766.db2.gz CUFVEUVIZCGRKQ-KKUMJFAQSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099874351 855016702 /nfs/dbraw/zinc/01/67/02/855016702.db2.gz JWJMBNOOPJSUJQ-ZIAGYGMSSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100066095 855089695 /nfs/dbraw/zinc/08/96/95/855089695.db2.gz CAIYWLFMIUFCEY-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100066095 855089698 /nfs/dbraw/zinc/08/96/98/855089698.db2.gz CAIYWLFMIUFCEY-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100066095 855089700 /nfs/dbraw/zinc/08/97/00/855089700.db2.gz CAIYWLFMIUFCEY-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076136 855093352 /nfs/dbraw/zinc/09/33/52/855093352.db2.gz GYXIDYUHBAUELD-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100083104 855098541 /nfs/dbraw/zinc/09/85/41/855098541.db2.gz NGERIRQMMUASHM-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100083104 855098547 /nfs/dbraw/zinc/09/85/47/855098547.db2.gz NGERIRQMMUASHM-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100083104 855098553 /nfs/dbraw/zinc/09/85/53/855098553.db2.gz NGERIRQMMUASHM-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047409 855411089 /nfs/dbraw/zinc/41/10/89/855411089.db2.gz GEKIWOSCWXZRAW-YUELXQCFSA-N 2 1 277.412 0.644 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290857 855426256 /nfs/dbraw/zinc/42/62/56/855426256.db2.gz XCXLFTYGWLSPKO-ZIAGYGMSSA-N 2 1 265.401 0.646 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292977 855658769 /nfs/dbraw/zinc/65/87/69/855658769.db2.gz ZAWRIMZEEISGIP-QLPKVWCKSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001323617401 912450338 /nfs/dbraw/zinc/45/03/38/912450338.db2.gz XLPBIQXXGXOPRX-UHFFFAOYSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001324853592 913065290 /nfs/dbraw/zinc/06/52/90/913065290.db2.gz ZMLXTMVKRZUYQS-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001325307374 913332796 /nfs/dbraw/zinc/33/27/96/913332796.db2.gz DEPQURAVEKVUCC-UONOGXRCSA-N 2 1 295.427 0.456 20 30 CCEDMP Cc1cc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc(C)[nH+]1 ZINC001325630088 913498670 /nfs/dbraw/zinc/49/86/70/913498670.db2.gz YXFAZIWEPWPOTR-PWSUYJOCSA-N 2 1 259.313 0.353 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)Cn2ccnc2)C1 ZINC001481465404 892710685 /nfs/dbraw/zinc/71/06/85/892710685.db2.gz SPOLMFZJRHKMTB-CQSZACIVSA-N 2 1 274.368 0.735 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2ccnc2C)C1 ZINC001481506716 892755237 /nfs/dbraw/zinc/75/52/37/892755237.db2.gz JUDHTQLDMLHVAL-HNNXBMFYSA-N 2 1 288.395 0.995 20 30 CCEDMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001481506716 892755242 /nfs/dbraw/zinc/75/52/42/892755242.db2.gz JUDHTQLDMLHVAL-HNNXBMFYSA-N 2 1 288.395 0.995 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001481506716 892755249 /nfs/dbraw/zinc/75/52/49/892755249.db2.gz JUDHTQLDMLHVAL-HNNXBMFYSA-N 2 1 288.395 0.995 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001482171314 893455204 /nfs/dbraw/zinc/45/52/04/893455204.db2.gz DUIYUJVRIPXETM-KGLIPLIRSA-N 2 1 283.416 0.625 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001482171314 893455209 /nfs/dbraw/zinc/45/52/09/893455209.db2.gz DUIYUJVRIPXETM-KGLIPLIRSA-N 2 1 283.416 0.625 20 30 CCEDMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482398592 893955381 /nfs/dbraw/zinc/95/53/81/893955381.db2.gz PEXNADDMEOQWGY-ZIAGYGMSSA-N 2 1 265.401 0.692 20 30 CCEDMP C=CC[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482892092 894674345 /nfs/dbraw/zinc/67/43/45/894674345.db2.gz WDKJHJJRJWLTTC-STQMWFEESA-N 2 1 253.390 0.999 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC[C@H](C)O ZINC001483236467 895280693 /nfs/dbraw/zinc/28/06/93/895280693.db2.gz HAVVUONXMFUZFK-KKUMJFAQSA-N 2 1 295.427 0.339 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC[C@H](C)O ZINC001483236467 895280702 /nfs/dbraw/zinc/28/07/02/895280702.db2.gz HAVVUONXMFUZFK-KKUMJFAQSA-N 2 1 295.427 0.339 20 30 CCEDMP C#CCC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001483588623 895669153 /nfs/dbraw/zinc/66/91/53/895669153.db2.gz WLIRJWGTGANSNW-UKRRQHHQSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CCC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001483588625 895669546 /nfs/dbraw/zinc/66/95/46/895669546.db2.gz WLIRJWGTGANSNW-ZFWWWQNUSA-N 2 1 277.412 0.836 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001484698608 896545020 /nfs/dbraw/zinc/54/50/20/896545020.db2.gz BBHDFIQQRVNOFE-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ncc[nH]1 ZINC001032379542 897370581 /nfs/dbraw/zinc/37/05/81/897370581.db2.gz VIKQKBMFENSFCZ-RYUDHWBXSA-N 2 1 260.341 0.813 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001032410971 897491329 /nfs/dbraw/zinc/49/13/29/897491329.db2.gz CJSSQDKTWVYLNE-CBBWQLFWSA-N 2 1 275.396 0.635 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001032410971 897491337 /nfs/dbraw/zinc/49/13/37/897491337.db2.gz CJSSQDKTWVYLNE-CBBWQLFWSA-N 2 1 275.396 0.635 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001032410971 897491345 /nfs/dbraw/zinc/49/13/45/897491345.db2.gz CJSSQDKTWVYLNE-CBBWQLFWSA-N 2 1 275.396 0.635 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001078229419 898303774 /nfs/dbraw/zinc/30/37/74/898303774.db2.gz GZZLWNXNKWBPJV-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001078229419 898303788 /nfs/dbraw/zinc/30/37/88/898303788.db2.gz GZZLWNXNKWBPJV-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001078229419 898303800 /nfs/dbraw/zinc/30/38/00/898303800.db2.gz GZZLWNXNKWBPJV-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485956612 898518120 /nfs/dbraw/zinc/51/81/20/898518120.db2.gz YQNZXJOSPKELKL-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001410115457 899233131 /nfs/dbraw/zinc/23/31/31/899233131.db2.gz GNDNVOURWLGPRX-XYYAHUGASA-N 2 1 285.819 0.985 20 30 CCEDMP C#CC[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001327276949 914459100 /nfs/dbraw/zinc/45/91/00/914459100.db2.gz JXXUMJIIMVVCFT-CQSZACIVSA-N 2 1 265.401 0.742 20 30 CCEDMP C#CC[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001327276949 914459115 /nfs/dbraw/zinc/45/91/15/914459115.db2.gz JXXUMJIIMVVCFT-CQSZACIVSA-N 2 1 265.401 0.742 20 30 CCEDMP C#CC[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001327276949 914459127 /nfs/dbraw/zinc/45/91/27/914459127.db2.gz JXXUMJIIMVVCFT-CQSZACIVSA-N 2 1 265.401 0.742 20 30 CCEDMP C=CC[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001490710261 900697573 /nfs/dbraw/zinc/69/75/73/900697573.db2.gz WPPGWAJZAATYSQ-ZDUSSCGKSA-N 2 1 262.357 0.862 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001149239589 903755667 /nfs/dbraw/zinc/75/56/67/903755667.db2.gz MUYYDHDDMFWKKO-AWEZNQCLSA-N 2 1 251.374 0.754 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309881588 903868162 /nfs/dbraw/zinc/86/81/62/903868162.db2.gz JSMXOFOBYPJSPA-MRXNPFEDSA-N 2 1 285.391 0.848 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCCOCC[N@H+](C)CC)CC1 ZINC001331173729 903957544 /nfs/dbraw/zinc/95/75/44/903957544.db2.gz OHYCNLJDEGMUPH-UHFFFAOYSA-N 2 1 295.427 0.416 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H](C)CC ZINC001246246782 904001474 /nfs/dbraw/zinc/00/14/74/904001474.db2.gz UFQBJUIFRAKHKP-MJBXVCDLSA-N 2 1 295.427 0.814 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001282412972 904471434 /nfs/dbraw/zinc/47/14/34/904471434.db2.gz OTHAOCHKUVQDNX-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001282412972 904471444 /nfs/dbraw/zinc/47/14/44/904471444.db2.gz OTHAOCHKUVQDNX-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001282412972 904471451 /nfs/dbraw/zinc/47/14/51/904471451.db2.gz OTHAOCHKUVQDNX-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001282493175 904491702 /nfs/dbraw/zinc/49/17/02/904491702.db2.gz BCRNAIMGMZCZAK-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001282493175 904491705 /nfs/dbraw/zinc/49/17/05/904491705.db2.gz BCRNAIMGMZCZAK-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001282493175 904491707 /nfs/dbraw/zinc/49/17/07/904491707.db2.gz BCRNAIMGMZCZAK-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001282537975 904504427 /nfs/dbraw/zinc/50/44/27/904504427.db2.gz UQAHUXXWHJFDSK-AWEZNQCLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001282780814 904542104 /nfs/dbraw/zinc/54/21/04/904542104.db2.gz GDUQEFIZUUWZOQ-INIZCTEOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001282780814 904542112 /nfs/dbraw/zinc/54/21/12/904542112.db2.gz GDUQEFIZUUWZOQ-INIZCTEOSA-N 2 1 295.427 0.818 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001282887365 904568636 /nfs/dbraw/zinc/56/86/36/904568636.db2.gz FNAILVLWIPKDRT-JONQDZQNSA-N 2 1 291.439 0.890 20 30 CCEDMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001283693893 904965387 /nfs/dbraw/zinc/96/53/87/904965387.db2.gz XREYHNJMURBISY-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001327924002 914869932 /nfs/dbraw/zinc/86/99/32/914869932.db2.gz NFUYGOBLFBHJJV-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001284479715 905310734 /nfs/dbraw/zinc/31/07/34/905310734.db2.gz ZMHUYRAFPUNFMU-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001284520763 905351479 /nfs/dbraw/zinc/35/14/79/905351479.db2.gz XXIIOKAORVTVGQ-CQSZACIVSA-N 2 1 283.416 0.101 20 30 CCEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001284520763 905351497 /nfs/dbraw/zinc/35/14/97/905351497.db2.gz XXIIOKAORVTVGQ-CQSZACIVSA-N 2 1 283.416 0.101 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001284520763 905351512 /nfs/dbraw/zinc/35/15/12/905351512.db2.gz XXIIOKAORVTVGQ-CQSZACIVSA-N 2 1 283.416 0.101 20 30 CCEDMP C#CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CCOC ZINC001284669316 905416006 /nfs/dbraw/zinc/41/60/06/905416006.db2.gz VLOBQAHCYDQKDA-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CCOC ZINC001284669316 905416016 /nfs/dbraw/zinc/41/60/16/905416016.db2.gz VLOBQAHCYDQKDA-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001491602274 907438516 /nfs/dbraw/zinc/43/85/16/907438516.db2.gz OJUFOISNZCJHPT-KBPBESRZSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001492044948 907679994 /nfs/dbraw/zinc/67/99/94/907679994.db2.gz YFBULSNQIFDUGR-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001328280232 908658980 /nfs/dbraw/zinc/65/89/80/908658980.db2.gz SABNIHKZSHCXMP-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316948049 908843138 /nfs/dbraw/zinc/84/31/38/908843138.db2.gz PKHJFVKIFVGTPX-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001316991336 908904865 /nfs/dbraw/zinc/90/48/65/908904865.db2.gz WVUYHDVYXHSEGH-CQSZACIVSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001316991336 908904876 /nfs/dbraw/zinc/90/48/76/908904876.db2.gz WVUYHDVYXHSEGH-CQSZACIVSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317136064 909004199 /nfs/dbraw/zinc/00/41/99/909004199.db2.gz XLXJEWOFZGIRMB-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317392937 909169869 /nfs/dbraw/zinc/16/98/69/909169869.db2.gz KLXRNMYMZVHKFJ-YNEHKIRRSA-N 2 1 253.390 0.997 20 30 CCEDMP C=CC[NH2+][C@@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317405940 909181895 /nfs/dbraw/zinc/18/18/95/909181895.db2.gz NHWJBETWFBIZRY-STQMWFEESA-N 2 1 253.390 0.999 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317414140 909184739 /nfs/dbraw/zinc/18/47/39/909184739.db2.gz MDUPSGKWEMJQCI-QWHCGFSZSA-N 2 1 251.374 0.446 20 30 CCEDMP CC#CC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317445545 909213706 /nfs/dbraw/zinc/21/37/06/909213706.db2.gz AKFNEAFDCNASSC-CQSZACIVSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001317533425 909299197 /nfs/dbraw/zinc/29/91/97/909299197.db2.gz VFIQTAAKYCQTMV-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001317533425 909299210 /nfs/dbraw/zinc/29/92/10/909299210.db2.gz VFIQTAAKYCQTMV-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001317533425 909299223 /nfs/dbraw/zinc/29/92/23/909299223.db2.gz VFIQTAAKYCQTMV-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCC[NH2+]CCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001317654299 909448999 /nfs/dbraw/zinc/44/89/99/909448999.db2.gz MPVRJMIASQFEEV-HNNXBMFYSA-N 2 1 263.385 0.544 20 30 CCEDMP C=CCC[C@H](C)[NH+]1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001318071543 909607113 /nfs/dbraw/zinc/60/71/13/909607113.db2.gz PLLKXWLDFCBGAH-AWEZNQCLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320274623 910570326 /nfs/dbraw/zinc/57/03/26/910570326.db2.gz QMESKYMZWBDHGQ-KBPBESRZSA-N 2 1 283.416 0.361 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001323035716 912083803 /nfs/dbraw/zinc/08/38/03/912083803.db2.gz MTZAQOFVLZQBIO-ZDUSSCGKSA-N 2 1 260.341 0.309 20 30 CCEDMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001328787876 915432309 /nfs/dbraw/zinc/43/23/09/915432309.db2.gz ZLBQPMCWEKKIDZ-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001328787876 915432316 /nfs/dbraw/zinc/43/23/16/915432316.db2.gz ZLBQPMCWEKKIDZ-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001329411553 915890531 /nfs/dbraw/zinc/89/05/31/915890531.db2.gz PLPYZQROVBSUPX-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001329411553 915890552 /nfs/dbraw/zinc/89/05/52/915890552.db2.gz PLPYZQROVBSUPX-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001329411553 915890569 /nfs/dbraw/zinc/89/05/69/915890569.db2.gz PLPYZQROVBSUPX-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001329411553 915890589 /nfs/dbraw/zinc/89/05/89/915890589.db2.gz PLPYZQROVBSUPX-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001329411553 915890599 /nfs/dbraw/zinc/89/05/99/915890599.db2.gz PLPYZQROVBSUPX-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)CCc1cncn1C ZINC001329610251 916058259 /nfs/dbraw/zinc/05/82/59/916058259.db2.gz SDBYKWQVCJAWKN-ZDUSSCGKSA-N 2 1 276.384 0.813 20 30 CCEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)CC[N@H+](C)CC ZINC001331602520 917442460 /nfs/dbraw/zinc/44/24/60/917442460.db2.gz YUWLOIMGYJMMBA-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001332050275 917823392 /nfs/dbraw/zinc/82/33/92/917823392.db2.gz SEZRIDSGQAJTAX-GXTWGEPZSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC001341416005 922474164 /nfs/dbraw/zinc/47/41/64/922474164.db2.gz VEWQUXGNMMQTBG-OAHLLOKOSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@H]1CCCC[N@H+]1CCCC ZINC001343407637 923301875 /nfs/dbraw/zinc/30/18/75/923301875.db2.gz HPXOBKJPMADVEK-CQSZACIVSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC001343407637 923301889 /nfs/dbraw/zinc/30/18/89/923301889.db2.gz HPXOBKJPMADVEK-CQSZACIVSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001480148090 925555108 /nfs/dbraw/zinc/55/51/08/925555108.db2.gz AAFPFMZTKREDDT-JOCQHMNTSA-N 2 1 260.341 0.452 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCCC2)CC1 ZINC001353316060 925791694 /nfs/dbraw/zinc/79/16/94/925791694.db2.gz MBNZVGLDXZQSCW-HNNXBMFYSA-N 2 1 280.412 0.730 20 30 CCEDMP C#CC[NH+]1CCC(NC[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC001353323818 925797784 /nfs/dbraw/zinc/79/77/84/925797784.db2.gz OGBYOQDYYLTHFH-HNNXBMFYSA-N 2 1 265.401 0.129 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001353508049 925856234 /nfs/dbraw/zinc/85/62/34/925856234.db2.gz HWIDOYMCPSFBOX-QWHCGFSZSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001353508049 925856240 /nfs/dbraw/zinc/85/62/40/925856240.db2.gz HWIDOYMCPSFBOX-QWHCGFSZSA-N 2 1 251.374 0.446 20 30 CCEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC001448874531 931014064 /nfs/dbraw/zinc/01/40/64/931014064.db2.gz RIXQEVUIYWFWLD-ZFWWWQNUSA-N 2 1 283.416 0.408 20 30 CCEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001448874531 931014074 /nfs/dbraw/zinc/01/40/74/931014074.db2.gz RIXQEVUIYWFWLD-ZFWWWQNUSA-N 2 1 283.416 0.408 20 30 CCEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001448874531 931014083 /nfs/dbraw/zinc/01/40/83/931014083.db2.gz RIXQEVUIYWFWLD-ZFWWWQNUSA-N 2 1 283.416 0.408 20 30 CCEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000602544664 362670025 /nfs/dbraw/zinc/67/00/25/362670025.db2.gz JFDJBHMRRGDZFO-HZPDHXFCSA-N 2 1 294.443 0.922 20 30 CCEDMP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594437438 360305502 /nfs/dbraw/zinc/30/55/02/360305502.db2.gz JSXGEXWYGIZPGO-UONOGXRCSA-N 2 1 278.400 0.998 20 30 CCEDMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437921 360307389 /nfs/dbraw/zinc/30/73/89/360307389.db2.gz LMKNDXZCKXEFIK-QWHCGFSZSA-N 2 1 266.389 0.856 20 30 CCEDMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C1CC1 ZINC000594439702 360308155 /nfs/dbraw/zinc/30/81/55/360308155.db2.gz YTEOOUVDPZHYKI-GFCCVEGCSA-N 2 1 252.362 0.608 20 30 CCEDMP CC(C)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594441298 360309935 /nfs/dbraw/zinc/30/99/35/360309935.db2.gz QOXALKUPNGKFGS-CYBMUJFWSA-N 2 1 266.389 0.950 20 30 CCEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000594469667 360320661 /nfs/dbraw/zinc/32/06/61/360320661.db2.gz QJXCWPAWNWZNIP-CYBMUJFWSA-N 2 1 264.373 0.776 20 30 CCEDMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595938346 360715604 /nfs/dbraw/zinc/71/56/04/360715604.db2.gz OOOMWOPPEITYOO-VXGBXAGGSA-N 2 1 266.389 0.997 20 30 CCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(C#N)nn1 ZINC000596364041 360884960 /nfs/dbraw/zinc/88/49/60/360884960.db2.gz VUNBHPHMEHDCKP-LBPRGKRZSA-N 2 1 276.388 0.454 20 30 CCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(C#N)nn1 ZINC000596364041 360884961 /nfs/dbraw/zinc/88/49/61/360884961.db2.gz VUNBHPHMEHDCKP-LBPRGKRZSA-N 2 1 276.388 0.454 20 30 CCEDMP C#CC[N@@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000490851939 261228434 /nfs/dbraw/zinc/22/84/34/261228434.db2.gz IVUUUNPMBDQFAR-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000490851939 261228438 /nfs/dbraw/zinc/22/84/38/261228438.db2.gz IVUUUNPMBDQFAR-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCOCCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641030185 376687501 /nfs/dbraw/zinc/68/75/01/376687501.db2.gz SYHUXKQSFDNWJE-UHFFFAOYSA-N 2 1 279.388 0.446 20 30 CCEDMP C#Cc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000290361110 388903803 /nfs/dbraw/zinc/90/38/03/388903803.db2.gz MSZBUPSGSOVQKY-UHFFFAOYSA-N 2 1 285.391 0.922 20 30 CCEDMP C[C@@H]1C[NH+]=C(NCC[N@@H+]2CCc3ccccc3C2)N1 ZINC000262684937 389293300 /nfs/dbraw/zinc/29/33/00/389293300.db2.gz XZYNQJAQDQGPDT-GFCCVEGCSA-N 2 1 258.369 0.982 20 30 CCEDMP C[C@@H]1C[NH+]=C(NCC[N@H+]2CCc3ccccc3C2)N1 ZINC000262684937 389293302 /nfs/dbraw/zinc/29/33/02/389293302.db2.gz XZYNQJAQDQGPDT-GFCCVEGCSA-N 2 1 258.369 0.982 20 30 CCEDMP CCNC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264101909 389306649 /nfs/dbraw/zinc/30/66/49/389306649.db2.gz ONHLSBGHHPTRGA-CQSZACIVSA-N 2 1 276.384 0.330 20 30 CCEDMP CCNC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000264124350 389307441 /nfs/dbraw/zinc/30/74/41/389307441.db2.gz RZOIAHYARPFDRG-UHFFFAOYSA-N 2 1 276.384 0.943 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000267433955 389371291 /nfs/dbraw/zinc/37/12/91/389371291.db2.gz NKIZDBGVVSFOQZ-LLVKDONJSA-N 2 1 267.377 0.911 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccn1C ZINC000267459024 389371323 /nfs/dbraw/zinc/37/13/23/389371323.db2.gz UOGPUJNEQSJYES-ZDUSSCGKSA-N 2 1 263.389 0.914 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000491371607 390112532 /nfs/dbraw/zinc/11/25/32/390112532.db2.gz FUKQZUNKBPJZQZ-UONOGXRCSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000491371607 390112533 /nfs/dbraw/zinc/11/25/33/390112533.db2.gz FUKQZUNKBPJZQZ-UONOGXRCSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000491371607 390112534 /nfs/dbraw/zinc/11/25/34/390112534.db2.gz FUKQZUNKBPJZQZ-UONOGXRCSA-N 2 1 278.400 0.287 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895347 390711456 /nfs/dbraw/zinc/71/14/56/390711456.db2.gz DKKKXUHCIHMAIT-STQMWFEESA-N 2 1 281.400 0.364 20 30 CCEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[C@@H]21 ZINC000332715381 260020744 /nfs/dbraw/zinc/02/07/44/260020744.db2.gz QAIAWWOHPOQVPT-RDBSUJKOSA-N 2 1 278.400 0.950 20 30 CCEDMP C[C@@]1(O)CCC[NH+](CC#CC[N@@H+]2CCC[C@@](C)(O)C2)C1 ZINC000341904083 263365388 /nfs/dbraw/zinc/36/53/88/263365388.db2.gz DCYQEISKFVUSRB-HZPDHXFCSA-N 2 1 280.412 0.683 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342113905 263389201 /nfs/dbraw/zinc/38/92/01/263389201.db2.gz WCTKMHDKEIURBT-CYDGBPFRSA-N 2 1 294.399 0.446 20 30 CCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368615406 267191235 /nfs/dbraw/zinc/19/12/35/267191235.db2.gz QIFQGWLYDVRNTB-UPJWGTAASA-N 2 1 251.374 0.751 20 30 CCEDMP N#CCC[C@@H](C#N)CNC[C@@H]1CCC[N@@H+]1CCCO ZINC000583381457 327335208 /nfs/dbraw/zinc/33/52/08/327335208.db2.gz LQTRODIVWYQPAW-KBPBESRZSA-N 2 1 264.373 0.866 20 30 CCEDMP N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CCCN1CCCO ZINC000583381457 327335209 /nfs/dbraw/zinc/33/52/09/327335209.db2.gz LQTRODIVWYQPAW-KBPBESRZSA-N 2 1 264.373 0.866 20 30 CCEDMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1CCOC ZINC000424145377 330290397 /nfs/dbraw/zinc/29/03/97/330290397.db2.gz NKZPFKDCLHJNBA-ZIAGYGMSSA-N 2 1 296.415 0.577 20 30 CCEDMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1CCOC ZINC000424145377 330290398 /nfs/dbraw/zinc/29/03/98/330290398.db2.gz NKZPFKDCLHJNBA-ZIAGYGMSSA-N 2 1 296.415 0.577 20 30 CCEDMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1CCCC1 ZINC000424157606 330305031 /nfs/dbraw/zinc/30/50/31/330305031.db2.gz QAXDVNBPSAPLAC-CYBMUJFWSA-N 2 1 266.389 0.998 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000491338064 332192334 /nfs/dbraw/zinc/19/23/34/332192334.db2.gz FYUOILWJKJQLHR-UKRRQHHQSA-N 2 1 280.416 0.568 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])N1CCSCC1 ZINC000491380640 332200781 /nfs/dbraw/zinc/20/07/81/332200781.db2.gz AGKOHSWFNOGUGL-UHFFFAOYSA-N 2 1 254.403 0.515 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000491473610 332217944 /nfs/dbraw/zinc/21/79/44/332217944.db2.gz FZUMHWCOQOHTED-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000491473610 332217945 /nfs/dbraw/zinc/21/79/45/332217945.db2.gz FZUMHWCOQOHTED-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000491473610 332217946 /nfs/dbraw/zinc/21/79/46/332217946.db2.gz FZUMHWCOQOHTED-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000491672162 332278835 /nfs/dbraw/zinc/27/88/35/332278835.db2.gz SVRTXTDPXXFWDO-MRXNPFEDSA-N 2 1 292.427 0.727 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+](CC)CC ZINC000491673339 332279547 /nfs/dbraw/zinc/27/95/47/332279547.db2.gz PZTDWBXABLRGNU-CQSZACIVSA-N 2 1 282.432 0.971 20 30 CCEDMP C#CC[NH+](C)CCCNC(=S)NC[C@H]1CCC[N@@H+]1CC ZINC000491683243 332285541 /nfs/dbraw/zinc/28/55/41/332285541.db2.gz XHDZQFAMYOPDHS-CQSZACIVSA-N 2 1 296.484 0.890 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000491701136 332295617 /nfs/dbraw/zinc/29/56/17/332295617.db2.gz KTZYQWYPWINSKE-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1CCC ZINC000491701136 332295618 /nfs/dbraw/zinc/29/56/18/332295618.db2.gz KTZYQWYPWINSKE-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1CCC ZINC000491701136 332295620 /nfs/dbraw/zinc/29/56/20/332295620.db2.gz KTZYQWYPWINSKE-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000491728392 332311031 /nfs/dbraw/zinc/31/10/31/332311031.db2.gz MHHFHHPGLLMFSH-LSDHHAIUSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000491728392 332311032 /nfs/dbraw/zinc/31/10/32/332311032.db2.gz MHHFHHPGLLMFSH-LSDHHAIUSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000491728392 332311033 /nfs/dbraw/zinc/31/10/33/332311033.db2.gz MHHFHHPGLLMFSH-LSDHHAIUSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000491780647 332344940 /nfs/dbraw/zinc/34/49/40/332344940.db2.gz FDVVWYRKFPFAAP-KGLIPLIRSA-N 2 1 280.416 0.758 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310842079 333061847 /nfs/dbraw/zinc/06/18/47/333061847.db2.gz KVADYVKDXBRKLV-RWMBFGLXSA-N 2 1 251.374 0.609 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000081355664 334186545 /nfs/dbraw/zinc/18/65/45/334186545.db2.gz SLOBGGGZQQGNSS-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000081355664 334186546 /nfs/dbraw/zinc/18/65/46/334186546.db2.gz SLOBGGGZQQGNSS-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H](C)COC)CC1 ZINC000581483889 336087180 /nfs/dbraw/zinc/08/71/80/336087180.db2.gz LPWPAOJFEVRNGZ-DZGCQCFKSA-N 2 1 286.416 0.639 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000791301838 581213299 /nfs/dbraw/zinc/21/32/99/581213299.db2.gz SEPPNSWFWHZMDN-AWEZNQCLSA-N 2 1 283.416 0.577 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH+](C)C)CCC1 ZINC000783755494 581358646 /nfs/dbraw/zinc/35/86/46/581358646.db2.gz UCKPYGAVMVKNQH-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+](C)C)CCC1 ZINC000783755494 581358648 /nfs/dbraw/zinc/35/86/48/581358648.db2.gz UCKPYGAVMVKNQH-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCC[NH+](C)C ZINC000787535653 581472180 /nfs/dbraw/zinc/47/21/80/581472180.db2.gz HSGFBGMPKLOSAF-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCC[NH+](C)C ZINC000787535653 581472181 /nfs/dbraw/zinc/47/21/81/581472181.db2.gz HSGFBGMPKLOSAF-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCOC ZINC000730098101 581645125 /nfs/dbraw/zinc/64/51/25/581645125.db2.gz VIMAGYUACDTLEK-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CCOC ZINC000730098101 581645127 /nfs/dbraw/zinc/64/51/27/581645127.db2.gz VIMAGYUACDTLEK-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCOC ZINC000730098101 581645130 /nfs/dbraw/zinc/64/51/30/581645130.db2.gz VIMAGYUACDTLEK-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCOC ZINC000730098101 581645133 /nfs/dbraw/zinc/64/51/33/581645133.db2.gz VIMAGYUACDTLEK-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)CC ZINC000730283717 581692111 /nfs/dbraw/zinc/69/21/11/581692111.db2.gz NANNLNQAEIRSFF-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000730283717 581692104 /nfs/dbraw/zinc/69/21/04/581692104.db2.gz NANNLNQAEIRSFF-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000730283717 581692106 /nfs/dbraw/zinc/69/21/06/581692106.db2.gz NANNLNQAEIRSFF-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)CC ZINC000730283717 581692109 /nfs/dbraw/zinc/69/21/09/581692109.db2.gz NANNLNQAEIRSFF-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C[C@H]1C[N@H+](C)CC1=NNC(=S)NCCC[NH+](C)C ZINC000752165991 582101993 /nfs/dbraw/zinc/10/19/93/582101993.db2.gz OWFIOZIONIHYBU-JTQLQIEISA-N 2 1 271.434 0.340 20 30 CCEDMP C[C@H]1C[N@@H+](C)CC1=NNC(=S)NCCC[NH+](C)C ZINC000752165991 582101994 /nfs/dbraw/zinc/10/19/94/582101994.db2.gz OWFIOZIONIHYBU-JTQLQIEISA-N 2 1 271.434 0.340 20 30 CCEDMP C#CC1(F)CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000883769891 612947653 /nfs/dbraw/zinc/94/76/53/612947653.db2.gz DXPFFRRQUHTSTB-ZDUSSCGKSA-N 2 1 298.406 0.625 20 30 CCEDMP C#CC1(F)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000883769891 612947655 /nfs/dbraw/zinc/94/76/55/612947655.db2.gz DXPFFRRQUHTSTB-ZDUSSCGKSA-N 2 1 298.406 0.625 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000972860304 613032040 /nfs/dbraw/zinc/03/20/40/613032040.db2.gz PORVCVRIVVRTCF-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000972860304 613032041 /nfs/dbraw/zinc/03/20/41/613032041.db2.gz PORVCVRIVVRTCF-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972860304 613032043 /nfs/dbraw/zinc/03/20/43/613032043.db2.gz PORVCVRIVVRTCF-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972860304 613032045 /nfs/dbraw/zinc/03/20/45/613032045.db2.gz PORVCVRIVVRTCF-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC000854094511 613073236 /nfs/dbraw/zinc/07/32/36/613073236.db2.gz UCMMDXJOVGKQQT-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N(CC)[C@@H]1CC[NH+](C)C1 ZINC000854094511 613073237 /nfs/dbraw/zinc/07/32/37/613073237.db2.gz UCMMDXJOVGKQQT-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(CC)[C@@H]1CC[NH+](C)C1 ZINC000854094511 613073238 /nfs/dbraw/zinc/07/32/38/613073238.db2.gz UCMMDXJOVGKQQT-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000886573241 613066223 /nfs/dbraw/zinc/06/62/23/613066223.db2.gz BJTUFZPISRHLFW-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCN(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000820086468 613071553 /nfs/dbraw/zinc/07/15/53/613071553.db2.gz FECHDFFXLHVSMJ-ZDUSSCGKSA-N 2 1 268.405 0.533 20 30 CCEDMP C#CCN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000820086468 613071554 /nfs/dbraw/zinc/07/15/54/613071554.db2.gz FECHDFFXLHVSMJ-ZDUSSCGKSA-N 2 1 268.405 0.533 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905276627 613078641 /nfs/dbraw/zinc/07/86/41/613078641.db2.gz ZFEMFHNFRVXNCV-AWEZNQCLSA-N 2 1 268.401 0.587 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905276627 613078643 /nfs/dbraw/zinc/07/86/43/613078643.db2.gz ZFEMFHNFRVXNCV-AWEZNQCLSA-N 2 1 268.401 0.587 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCF)C2)CC1 ZINC000980477670 613129666 /nfs/dbraw/zinc/12/96/66/613129666.db2.gz IRXPLFPUHIVWBM-HNNXBMFYSA-N 2 1 295.402 0.834 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCF)C2)CC1 ZINC000980477670 613129668 /nfs/dbraw/zinc/12/96/68/613129668.db2.gz IRXPLFPUHIVWBM-HNNXBMFYSA-N 2 1 295.402 0.834 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000119035787 613131569 /nfs/dbraw/zinc/13/15/69/613131569.db2.gz LQQJASNRIKDRNF-HIFRSBDPSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000119035787 613131570 /nfs/dbraw/zinc/13/15/70/613131570.db2.gz LQQJASNRIKDRNF-HIFRSBDPSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000916851058 613134413 /nfs/dbraw/zinc/13/44/13/613134413.db2.gz LLDHLYHTICJTPQ-ZDUSSCGKSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000928648337 613136486 /nfs/dbraw/zinc/13/64/86/613136486.db2.gz LBNBESQRQUYIDU-CABCVRRESA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981813200 613142583 /nfs/dbraw/zinc/14/25/83/613142583.db2.gz HGMUFCYDFPKUSF-HNNXBMFYSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000981896727 613152967 /nfs/dbraw/zinc/15/29/67/613152967.db2.gz ZCKRUBVMCQEDMB-CQSZACIVSA-N 2 1 265.401 0.740 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000981896727 613152968 /nfs/dbraw/zinc/15/29/68/613152968.db2.gz ZCKRUBVMCQEDMB-CQSZACIVSA-N 2 1 265.401 0.740 20 30 CCEDMP C#C[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878843942 613158963 /nfs/dbraw/zinc/15/89/63/613158963.db2.gz NGUGJMWSWVBDRK-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000890366965 613167843 /nfs/dbraw/zinc/16/78/43/613167843.db2.gz GFODOYUSPWOLJZ-LSDHHAIUSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000890366965 613167844 /nfs/dbraw/zinc/16/78/44/613167844.db2.gz GFODOYUSPWOLJZ-LSDHHAIUSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=S)NCCC[NH+](C)C)C1 ZINC000905570262 613174926 /nfs/dbraw/zinc/17/49/26/613174926.db2.gz GPCDPAMPHAZVNR-CYBMUJFWSA-N 2 1 282.457 0.500 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=S)NCCC[NH+](C)C)C1 ZINC000905570262 613174928 /nfs/dbraw/zinc/17/49/28/613174928.db2.gz GPCDPAMPHAZVNR-CYBMUJFWSA-N 2 1 282.457 0.500 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH+](C)C ZINC000855411067 613199528 /nfs/dbraw/zinc/19/95/28/613199528.db2.gz MHVJLHLAARKPKU-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH+](C)C ZINC000855411067 613199531 /nfs/dbraw/zinc/19/95/31/613199531.db2.gz MHVJLHLAARKPKU-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC)C1 ZINC000969865187 613200873 /nfs/dbraw/zinc/20/08/73/613200873.db2.gz LPLJSDMWNJWBRS-JSGCOSHPSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC)C1 ZINC000969865187 613200875 /nfs/dbraw/zinc/20/08/75/613200875.db2.gz LPLJSDMWNJWBRS-JSGCOSHPSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC=C)C1 ZINC000969870597 613201944 /nfs/dbraw/zinc/20/19/44/613201944.db2.gz ZFOJSFINTRQTEC-HIFRSBDPSA-N 2 1 275.396 0.707 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC=C)C1 ZINC000969870597 613201945 /nfs/dbraw/zinc/20/19/45/613201945.db2.gz ZFOJSFINTRQTEC-HIFRSBDPSA-N 2 1 275.396 0.707 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000824087840 613202212 /nfs/dbraw/zinc/20/22/12/613202212.db2.gz WDRYJOFWKXORFY-MJBXVCDLSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000824087840 613202214 /nfs/dbraw/zinc/20/22/14/613202214.db2.gz WDRYJOFWKXORFY-MJBXVCDLSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941218443 613229611 /nfs/dbraw/zinc/22/96/11/613229611.db2.gz XRPGDJWSWVEUHO-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218443 613229613 /nfs/dbraw/zinc/22/96/13/613229613.db2.gz XRPGDJWSWVEUHO-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218443 613229616 /nfs/dbraw/zinc/22/96/16/613229616.db2.gz XRPGDJWSWVEUHO-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598134 613258080 /nfs/dbraw/zinc/25/80/80/613258080.db2.gz RVIPKIWBGLGZNH-HIFRSBDPSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977473645 613280271 /nfs/dbraw/zinc/28/02/71/613280271.db2.gz YECFFYRBZYFQJH-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473645 613280272 /nfs/dbraw/zinc/28/02/72/613280272.db2.gz YECFFYRBZYFQJH-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473645 613280273 /nfs/dbraw/zinc/28/02/73/613280273.db2.gz YECFFYRBZYFQJH-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000958474244 613280375 /nfs/dbraw/zinc/28/03/75/613280375.db2.gz IJJJNYKCAUXGQT-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000958474244 613280377 /nfs/dbraw/zinc/28/03/77/613280377.db2.gz IJJJNYKCAUXGQT-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958474244 613280378 /nfs/dbraw/zinc/28/03/78/613280378.db2.gz IJJJNYKCAUXGQT-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958474244 613280380 /nfs/dbraw/zinc/28/03/80/613280380.db2.gz IJJJNYKCAUXGQT-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975057047 613297027 /nfs/dbraw/zinc/29/70/27/613297027.db2.gz BDCAJGAKYRDSAW-KBPBESRZSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975057047 613297029 /nfs/dbraw/zinc/29/70/29/613297029.db2.gz BDCAJGAKYRDSAW-KBPBESRZSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975057047 613297031 /nfs/dbraw/zinc/29/70/31/613297031.db2.gz BDCAJGAKYRDSAW-KBPBESRZSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975057047 613297033 /nfs/dbraw/zinc/29/70/33/613297033.db2.gz BDCAJGAKYRDSAW-KBPBESRZSA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000907515638 613364052 /nfs/dbraw/zinc/36/40/52/613364052.db2.gz NRBJAKWEJYUGGI-UONOGXRCSA-N 2 1 283.416 0.408 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979077466 613559949 /nfs/dbraw/zinc/55/99/49/613559949.db2.gz CYIKQKWCFTVYAL-TUVASFSCSA-N 2 1 277.412 0.808 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979077466 613559954 /nfs/dbraw/zinc/55/99/54/613559954.db2.gz CYIKQKWCFTVYAL-TUVASFSCSA-N 2 1 277.412 0.808 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979077466 613559956 /nfs/dbraw/zinc/55/99/56/613559956.db2.gz CYIKQKWCFTVYAL-TUVASFSCSA-N 2 1 277.412 0.808 20 30 CCEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000923374802 613591021 /nfs/dbraw/zinc/59/10/21/613591021.db2.gz CNVNPTGZCLPBIO-KBPBESRZSA-N 2 1 279.388 0.701 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000961760960 613634460 /nfs/dbraw/zinc/63/44/60/613634460.db2.gz AXLPXGGHFIYHGA-NYTXWWLZSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000961760960 613634461 /nfs/dbraw/zinc/63/44/61/613634461.db2.gz AXLPXGGHFIYHGA-NYTXWWLZSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000961760960 613634462 /nfs/dbraw/zinc/63/44/62/613634462.db2.gz AXLPXGGHFIYHGA-NYTXWWLZSA-N 2 1 275.396 0.398 20 30 CCEDMP C=CC[NH+]1CCC(NS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923607484 613675440 /nfs/dbraw/zinc/67/54/40/613675440.db2.gz YBSHFJXFGSZEHV-ZDUSSCGKSA-N 2 1 287.429 0.308 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000961787123 613837671 /nfs/dbraw/zinc/83/76/71/613837671.db2.gz JPFFXENQTMYWML-RMRHIDDWSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000961787123 613837672 /nfs/dbraw/zinc/83/76/72/613837672.db2.gz JPFFXENQTMYWML-RMRHIDDWSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000961787123 613837673 /nfs/dbraw/zinc/83/76/73/613837673.db2.gz JPFFXENQTMYWML-RMRHIDDWSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC000962311055 613843904 /nfs/dbraw/zinc/84/39/04/613843904.db2.gz JLIBATIJEWXXEU-NHAGDIPZSA-N 2 1 286.379 0.994 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC000962311055 613843905 /nfs/dbraw/zinc/84/39/05/613843905.db2.gz JLIBATIJEWXXEU-NHAGDIPZSA-N 2 1 286.379 0.994 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496344 613851776 /nfs/dbraw/zinc/85/17/76/613851776.db2.gz BLARZYGQHOUZBS-SRVKXCTJSA-N 2 1 282.388 0.303 20 30 CCEDMP C=CCNC(=S)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000849275157 613857702 /nfs/dbraw/zinc/85/77/02/613857702.db2.gz JHWWBKCRUUAYRM-LBPRGKRZSA-N 2 1 272.462 0.909 20 30 CCEDMP C=CCNC(=S)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000849275157 613857703 /nfs/dbraw/zinc/85/77/03/613857703.db2.gz JHWWBKCRUUAYRM-LBPRGKRZSA-N 2 1 272.462 0.909 20 30 CCEDMP CCCC[N@@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884207082 614948881 /nfs/dbraw/zinc/94/88/81/614948881.db2.gz MAHIOTVMNGLDOR-NPCAHTBFSA-N 2 1 292.427 0.974 20 30 CCEDMP CC[NH+]1CCN(C[C@H](C)CNC(NC2CC2)=[NH+]C)CC1 ZINC000103338427 615159788 /nfs/dbraw/zinc/15/97/88/615159788.db2.gz QRNCXEFCJJNZDJ-CYBMUJFWSA-N 2 1 281.448 0.587 20 30 CCEDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC000799177834 616177363 /nfs/dbraw/zinc/17/73/63/616177363.db2.gz GJMPTZNJURJMIO-UHFFFAOYSA-N 2 1 264.373 0.434 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023749905 623127409 /nfs/dbraw/zinc/12/74/09/623127409.db2.gz CMZPFTDZKDZDAR-GJZGRUSLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023749905 623127416 /nfs/dbraw/zinc/12/74/16/623127416.db2.gz CMZPFTDZKDZDAR-GJZGRUSLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023749905 623127418 /nfs/dbraw/zinc/12/74/18/623127418.db2.gz CMZPFTDZKDZDAR-GJZGRUSLSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024803408 623448359 /nfs/dbraw/zinc/44/83/59/623448359.db2.gz HUDCQFUJGVIBNZ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001024803408 623448362 /nfs/dbraw/zinc/44/83/62/623448362.db2.gz HUDCQFUJGVIBNZ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024803408 623448369 /nfs/dbraw/zinc/44/83/69/623448369.db2.gz HUDCQFUJGVIBNZ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907863 623813072 /nfs/dbraw/zinc/81/30/72/623813072.db2.gz BAXIICQCOVCMQT-ZDUSSCGKSA-N 3 1 267.421 0.471 20 30 CCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCCC1 ZINC000170907863 623813075 /nfs/dbraw/zinc/81/30/75/623813075.db2.gz BAXIICQCOVCMQT-ZDUSSCGKSA-N 2 1 267.421 0.471 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCCC1 ZINC000170907863 623813079 /nfs/dbraw/zinc/81/30/79/623813079.db2.gz BAXIICQCOVCMQT-ZDUSSCGKSA-N 2 1 267.421 0.471 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001019772660 623906541 /nfs/dbraw/zinc/90/65/41/623906541.db2.gz NVRSWODYUGOOPJ-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022275606 624907725 /nfs/dbraw/zinc/90/77/25/624907725.db2.gz NXCJBQBPIGTKJK-YIYPIFLZSA-N 2 1 281.400 0.518 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022275606 624907727 /nfs/dbraw/zinc/90/77/27/624907727.db2.gz NXCJBQBPIGTKJK-YIYPIFLZSA-N 2 1 281.400 0.518 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027650982 630833557 /nfs/dbraw/zinc/83/35/57/630833557.db2.gz HJNUROCCKJJUIB-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)C[C@@H]1CCOC1 ZINC000261682432 631438127 /nfs/dbraw/zinc/43/81/27/631438127.db2.gz QQRJGIFLFHTGSI-KBPBESRZSA-N 2 1 282.432 0.872 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001007006992 650061147 /nfs/dbraw/zinc/06/11/47/650061147.db2.gz CRLQKHGSEVFYSY-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001007006992 650061149 /nfs/dbraw/zinc/06/11/49/650061149.db2.gz CRLQKHGSEVFYSY-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001007006992 650061151 /nfs/dbraw/zinc/06/11/51/650061151.db2.gz CRLQKHGSEVFYSY-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001007006992 650061154 /nfs/dbraw/zinc/06/11/54/650061154.db2.gz CRLQKHGSEVFYSY-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007350484 650075192 /nfs/dbraw/zinc/07/51/92/650075192.db2.gz QPXAVUXZLZWUCJ-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009211184 650140243 /nfs/dbraw/zinc/14/02/43/650140243.db2.gz AXHFPDYNCPOBCT-AWEZNQCLSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)Cc3cncn3C)CCC[C@H]12 ZINC000992415490 637398508 /nfs/dbraw/zinc/39/85/08/637398508.db2.gz ARNLHWBCFOVULM-HOCLYGCPSA-N 2 1 286.379 0.709 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995961188 638806378 /nfs/dbraw/zinc/80/63/78/638806378.db2.gz WXDGIGJVGVEAHX-MCIONIFRSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995961188 638806379 /nfs/dbraw/zinc/80/63/79/638806379.db2.gz WXDGIGJVGVEAHX-MCIONIFRSA-N 2 1 295.427 0.718 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014486071 650456231 /nfs/dbraw/zinc/45/62/31/650456231.db2.gz ZNEPVVYSGGNPBM-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014486071 650456233 /nfs/dbraw/zinc/45/62/33/650456233.db2.gz ZNEPVVYSGGNPBM-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014486071 650456237 /nfs/dbraw/zinc/45/62/37/650456237.db2.gz ZNEPVVYSGGNPBM-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999997731 639030252 /nfs/dbraw/zinc/03/02/52/639030252.db2.gz HTXWYCQRJGJWQX-GJZGRUSLSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999997731 639030259 /nfs/dbraw/zinc/03/02/59/639030259.db2.gz HTXWYCQRJGJWQX-GJZGRUSLSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001145808 639246003 /nfs/dbraw/zinc/24/60/03/639246003.db2.gz VSFGIKXNUSGKRL-ZFWWWQNUSA-N 2 1 275.396 0.566 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001145808 639246006 /nfs/dbraw/zinc/24/60/06/639246006.db2.gz VSFGIKXNUSGKRL-ZFWWWQNUSA-N 2 1 275.396 0.566 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001145808 639246014 /nfs/dbraw/zinc/24/60/14/639246014.db2.gz VSFGIKXNUSGKRL-ZFWWWQNUSA-N 2 1 275.396 0.566 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001145801 639246412 /nfs/dbraw/zinc/24/64/12/639246412.db2.gz VSFGIKXNUSGKRL-UKRRQHHQSA-N 2 1 275.396 0.566 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001145801 639246422 /nfs/dbraw/zinc/24/64/22/639246422.db2.gz VSFGIKXNUSGKRL-UKRRQHHQSA-N 2 1 275.396 0.566 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001145801 639246429 /nfs/dbraw/zinc/24/64/29/639246429.db2.gz VSFGIKXNUSGKRL-UKRRQHHQSA-N 2 1 275.396 0.566 20 30 CCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001001461333 639300386 /nfs/dbraw/zinc/30/03/86/639300386.db2.gz JDFPYGMPIICYKZ-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001001461333 639300395 /nfs/dbraw/zinc/30/03/95/639300395.db2.gz JDFPYGMPIICYKZ-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001001461333 639300403 /nfs/dbraw/zinc/30/04/03/639300403.db2.gz JDFPYGMPIICYKZ-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001001461333 639300415 /nfs/dbraw/zinc/30/04/15/639300415.db2.gz JDFPYGMPIICYKZ-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001001447915 639305863 /nfs/dbraw/zinc/30/58/63/639305863.db2.gz DVUPDEXQDBDBJX-OAHLLOKOSA-N 2 1 275.396 0.710 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001001447915 639305873 /nfs/dbraw/zinc/30/58/73/639305873.db2.gz DVUPDEXQDBDBJX-OAHLLOKOSA-N 2 1 275.396 0.710 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001001447915 639305877 /nfs/dbraw/zinc/30/58/77/639305877.db2.gz DVUPDEXQDBDBJX-OAHLLOKOSA-N 2 1 275.396 0.710 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334180 650555669 /nfs/dbraw/zinc/55/56/69/650555669.db2.gz GYWDFQXIRFLVFL-IQXANGCESA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015334180 650555672 /nfs/dbraw/zinc/55/56/72/650555672.db2.gz GYWDFQXIRFLVFL-IQXANGCESA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015334180 650555676 /nfs/dbraw/zinc/55/56/76/650555676.db2.gz GYWDFQXIRFLVFL-IQXANGCESA-N 2 1 291.395 0.226 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015997410 650671794 /nfs/dbraw/zinc/67/17/94/650671794.db2.gz BXFSJSFOFSDOQG-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015997410 650671795 /nfs/dbraw/zinc/67/17/95/650671795.db2.gz BXFSJSFOFSDOQG-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015997410 650671799 /nfs/dbraw/zinc/67/17/99/650671799.db2.gz BXFSJSFOFSDOQG-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001016930014 650772153 /nfs/dbraw/zinc/77/21/53/650772153.db2.gz HXAYFVWFXMIYTH-HUUCEWRRSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001017417357 650800771 /nfs/dbraw/zinc/80/07/71/650800771.db2.gz BREBARIFJMSVKF-ZNMIVQPWSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001017417357 650800773 /nfs/dbraw/zinc/80/07/73/650800773.db2.gz BREBARIFJMSVKF-ZNMIVQPWSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001017417357 650800776 /nfs/dbraw/zinc/80/07/76/650800776.db2.gz BREBARIFJMSVKF-ZNMIVQPWSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001017417357 650800781 /nfs/dbraw/zinc/80/07/81/650800781.db2.gz BREBARIFJMSVKF-ZNMIVQPWSA-N 2 1 275.396 0.779 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000848413003 643634678 /nfs/dbraw/zinc/63/46/78/643634678.db2.gz HUFYGYAHDQSFID-IHRRRGAJSA-N 2 1 294.399 0.377 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001018617448 650885031 /nfs/dbraw/zinc/88/50/31/650885031.db2.gz VNGORXYUEVZCOC-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=C)C)C1 ZINC001018985690 650927237 /nfs/dbraw/zinc/92/72/37/650927237.db2.gz ZPUCVPBVNJAHQJ-GJZGRUSLSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=C)C)C1 ZINC001018985690 650927239 /nfs/dbraw/zinc/92/72/39/650927239.db2.gz ZPUCVPBVNJAHQJ-GJZGRUSLSA-N 2 1 275.396 0.851 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001019285100 650957186 /nfs/dbraw/zinc/95/71/86/650957186.db2.gz AMIZTJNYKXSURU-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001019285100 650957192 /nfs/dbraw/zinc/95/71/92/650957192.db2.gz AMIZTJNYKXSURU-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020287775 651056119 /nfs/dbraw/zinc/05/61/19/651056119.db2.gz KOBXUYPYXFGRSN-FDYHWXHSSA-N 2 1 267.373 0.128 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020287775 651056126 /nfs/dbraw/zinc/05/61/26/651056126.db2.gz KOBXUYPYXFGRSN-FDYHWXHSSA-N 2 1 267.373 0.128 20 30 CCEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876801821 646669153 /nfs/dbraw/zinc/66/91/53/646669153.db2.gz JILDNGCRHXSZEZ-ARFHVFGLSA-N 2 1 298.390 0.736 20 30 CCEDMP C[C@@H]1CC[N@@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884227471 647672519 /nfs/dbraw/zinc/67/25/19/647672519.db2.gz QHQXRXIJJZVXAQ-ILTLLKDXSA-N 2 1 290.411 0.584 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N1CCCCC1 ZINC000104152664 648202880 /nfs/dbraw/zinc/20/28/80/648202880.db2.gz AVUDFLDLVBMSNC-UHFFFAOYSA-N 2 1 254.378 0.509 20 30 CCEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)CC#N ZINC000930113473 648824455 /nfs/dbraw/zinc/82/44/55/648824455.db2.gz DXBUFVOSBJOXFA-CQSZACIVSA-N 2 1 268.405 0.219 20 30 CCEDMP CN(CC[N@H+](C)C[C@H](O)CC#N)C1CC[NH+](C)CC1 ZINC000930113473 648824459 /nfs/dbraw/zinc/82/44/59/648824459.db2.gz DXBUFVOSBJOXFA-CQSZACIVSA-N 2 1 268.405 0.219 20 30 CCEDMP CN(CC[N@@H+](C)C[C@H](O)CC#N)C1CC[NH+](C)CC1 ZINC000930113473 648824463 /nfs/dbraw/zinc/82/44/63/648824463.db2.gz DXBUFVOSBJOXFA-CQSZACIVSA-N 2 1 268.405 0.219 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303771600 649824454 /nfs/dbraw/zinc/82/44/54/649824454.db2.gz CSVOIETUNRGRRO-QWHCGFSZSA-N 2 1 286.420 0.282 20 30 CCEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303990928 649828028 /nfs/dbraw/zinc/82/80/28/649828028.db2.gz ZBQAOYSKMBIRMM-AWEZNQCLSA-N 2 1 299.463 0.343 20 30 CCEDMP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303990928 649828029 /nfs/dbraw/zinc/82/80/29/649828029.db2.gz ZBQAOYSKMBIRMM-AWEZNQCLSA-N 3 1 299.463 0.343 20 30 CCEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303990928 649828030 /nfs/dbraw/zinc/82/80/30/649828030.db2.gz ZBQAOYSKMBIRMM-AWEZNQCLSA-N 3 1 299.463 0.343 20 30 CCEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCOCC1 ZINC000304746909 649838165 /nfs/dbraw/zinc/83/81/65/649838165.db2.gz GADSBEQIXVSERE-LBPRGKRZSA-N 2 1 254.378 0.508 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCOCC1 ZINC000304746908 649838287 /nfs/dbraw/zinc/83/82/87/649838287.db2.gz GADSBEQIXVSERE-GFCCVEGCSA-N 2 1 254.378 0.508 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cccnc1 ZINC000304764043 649838806 /nfs/dbraw/zinc/83/88/06/649838806.db2.gz XMBIXAQINFYUDE-ZDUSSCGKSA-N 2 1 291.399 0.849 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266400292 790638493 /nfs/dbraw/zinc/63/84/93/790638493.db2.gz GXGCKLXVKDBLON-UHFFFAOYSA-N 2 1 263.385 0.686 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266428249 790686833 /nfs/dbraw/zinc/68/68/33/790686833.db2.gz NRFHCCZHSYGKKM-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[NH+](CC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266428249 790686838 /nfs/dbraw/zinc/68/68/38/790686838.db2.gz NRFHCCZHSYGKKM-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167236243 790729636 /nfs/dbraw/zinc/72/96/36/790729636.db2.gz INCZRVFQZLWXIF-UONOGXRCSA-N 2 1 277.412 0.693 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100437954 790746013 /nfs/dbraw/zinc/74/60/13/790746013.db2.gz IWDFQPZSNCXHTR-XSCHDIRWSA-N 2 1 293.411 0.213 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100437954 790746021 /nfs/dbraw/zinc/74/60/21/790746021.db2.gz IWDFQPZSNCXHTR-XSCHDIRWSA-N 2 1 293.411 0.213 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266482744 790774074 /nfs/dbraw/zinc/77/40/74/790774074.db2.gz HUKAHSDDRCROCM-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266482744 790774081 /nfs/dbraw/zinc/77/40/81/790774081.db2.gz HUKAHSDDRCROCM-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266482744 790774088 /nfs/dbraw/zinc/77/40/88/790774088.db2.gz HUKAHSDDRCROCM-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001266950309 791385851 /nfs/dbraw/zinc/38/58/51/791385851.db2.gz TZXWMFAOBBTQDV-KGLIPLIRSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267012026 791441750 /nfs/dbraw/zinc/44/17/50/791441750.db2.gz RKEZMCFBHZRKQH-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP CC[N@H+](CC#CCOC)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001267248532 793240895 /nfs/dbraw/zinc/24/08/95/793240895.db2.gz BUBAULNLHNMQNM-UHFFFAOYSA-N 2 1 295.427 0.416 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246029269 807126956 /nfs/dbraw/zinc/12/69/56/807126956.db2.gz LMYCLNYTDJQDOB-HZSPNIEDSA-N 2 1 256.390 0.857 20 30 CCEDMP N#Cc1cccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)n1 ZINC001234989736 806334839 /nfs/dbraw/zinc/33/48/39/806334839.db2.gz LRXPCHBQFHDAGX-AWEZNQCLSA-N 2 1 257.341 0.091 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194652 800322839 /nfs/dbraw/zinc/32/28/39/800322839.db2.gz VAWTVTRIMSHVRJ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152392541 800516922 /nfs/dbraw/zinc/51/69/22/800516922.db2.gz OXGCIUDSRXPICI-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC#CCOC ZINC001155900560 801072809 /nfs/dbraw/zinc/07/28/09/801072809.db2.gz YYKPSYXODSKYPU-OAHLLOKOSA-N 2 1 297.443 0.805 20 30 CCEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158506522 801660548 /nfs/dbraw/zinc/66/05/48/801660548.db2.gz KZFQQNZOEVWEQS-GJZGRUSLSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001159629584 801840678 /nfs/dbraw/zinc/84/06/78/801840678.db2.gz ZQWZUTIBNRTZGB-OAHLLOKOSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159629584 801840684 /nfs/dbraw/zinc/84/06/84/801840684.db2.gz ZQWZUTIBNRTZGB-OAHLLOKOSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159629584 801840689 /nfs/dbraw/zinc/84/06/89/801840689.db2.gz ZQWZUTIBNRTZGB-OAHLLOKOSA-N 2 1 275.396 0.852 20 30 CCEDMP N#Cc1c(N[C@@H](N)CCC[NH3+])ncc2c1CCC[NH2+]C2 ZINC001159780016 801868351 /nfs/dbraw/zinc/86/83/51/801868351.db2.gz NQPKVTSLPWBPQC-CYBMUJFWSA-N 2 1 274.372 0.425 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001278316554 806946167 /nfs/dbraw/zinc/94/61/67/806946167.db2.gz SUXXRLCWFGLUTN-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160861970 802035386 /nfs/dbraw/zinc/03/53/86/802035386.db2.gz FESZIVLKGOAEKW-KBPBESRZSA-N 2 1 263.385 0.732 20 30 CCEDMP Cc1[nH+]c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)ccc1CC#N ZINC001165284621 802813790 /nfs/dbraw/zinc/81/37/90/802813790.db2.gz ZKJLYCDFLPJMJI-HIFRSBDPSA-N 2 1 272.352 0.474 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166694070 802941010 /nfs/dbraw/zinc/94/10/10/802941010.db2.gz VCXZQDODDXYWTO-STQMWFEESA-N 2 1 253.390 0.856 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001204799133 803101663 /nfs/dbraw/zinc/10/16/63/803101663.db2.gz RTGIYFYCHPMLEY-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028757600 813445409 /nfs/dbraw/zinc/44/54/09/813445409.db2.gz GPMPNGZAZPYNEO-CABCVRRESA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757600 813445418 /nfs/dbraw/zinc/44/54/18/813445418.db2.gz GPMPNGZAZPYNEO-CABCVRRESA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757600 813445424 /nfs/dbraw/zinc/44/54/24/813445424.db2.gz GPMPNGZAZPYNEO-CABCVRRESA-N 2 1 293.411 0.167 20 30 CCEDMP Cn1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c2cc(C#N)ccc21 ZINC001206490345 803253576 /nfs/dbraw/zinc/25/35/76/803253576.db2.gz AYSIVXGWLYFRMO-BLLLJJGKSA-N 2 1 284.363 0.801 20 30 CCEDMP Cn1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c2cc(C#N)ccc21 ZINC001206490345 803253580 /nfs/dbraw/zinc/25/35/80/803253580.db2.gz AYSIVXGWLYFRMO-BLLLJJGKSA-N 2 1 284.363 0.801 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001206890396 803300572 /nfs/dbraw/zinc/30/05/72/803300572.db2.gz PNQKPZIMCSKUGE-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001271376094 814396228 /nfs/dbraw/zinc/39/62/28/814396228.db2.gz ZCYXFNWTYKEVLR-UHFFFAOYSA-N 2 1 269.389 0.067 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001271376094 814396233 /nfs/dbraw/zinc/39/62/33/814396233.db2.gz ZCYXFNWTYKEVLR-UHFFFAOYSA-N 2 1 269.389 0.067 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207547451 803418057 /nfs/dbraw/zinc/41/80/57/803418057.db2.gz WZXKKTYUSCGUHT-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207610153 803424281 /nfs/dbraw/zinc/42/42/81/803424281.db2.gz MQYMGKBLPWHFSR-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207683922 803437716 /nfs/dbraw/zinc/43/77/16/803437716.db2.gz IEKCLIHSYGGNOX-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C)[NH+](C)C ZINC001207697523 803438885 /nfs/dbraw/zinc/43/88/85/803438885.db2.gz BYRMEDLGKNBDHM-RBSFLKMASA-N 2 1 295.427 0.413 20 30 CCEDMP C=CCN1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213671568 803700586 /nfs/dbraw/zinc/70/05/86/803700586.db2.gz MNNHNZVVHMTCAH-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213671568 803700590 /nfs/dbraw/zinc/70/05/90/803700590.db2.gz MNNHNZVVHMTCAH-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213671568 803700593 /nfs/dbraw/zinc/70/05/93/803700593.db2.gz MNNHNZVVHMTCAH-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671568 803700597 /nfs/dbraw/zinc/70/05/97/803700597.db2.gz MNNHNZVVHMTCAH-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671568 803700600 /nfs/dbraw/zinc/70/06/00/803700600.db2.gz MNNHNZVVHMTCAH-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804509 804426534 /nfs/dbraw/zinc/42/65/34/804426534.db2.gz YGRWSLLYWBSVKH-QLFBSQMISA-N 2 1 295.427 0.454 20 30 CCEDMP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001219934734 804451387 /nfs/dbraw/zinc/45/13/87/804451387.db2.gz JWYAOAOCBFSOKR-HNNXBMFYSA-N 2 1 297.362 0.749 20 30 CCEDMP O=C(C[NH2+]C1CC[NH2+]CC1)N/C=C/C(=O)C(F)(F)F ZINC001220342991 804580144 /nfs/dbraw/zinc/58/01/44/804580144.db2.gz CHIYDOXWZBOFAK-ZZXKWVIFSA-N 2 1 279.262 0.089 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221072968 804726922 /nfs/dbraw/zinc/72/69/22/804726922.db2.gz AFOVUMAOGFWMNG-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP COCC#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001226554701 805246064 /nfs/dbraw/zinc/24/60/64/805246064.db2.gz OMNJIAYSBXXMIK-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001277391350 805537780 /nfs/dbraw/zinc/53/77/80/805537780.db2.gz IIOFMZZFVARODE-HNNXBMFYSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001277391350 805537785 /nfs/dbraw/zinc/53/77/85/805537785.db2.gz IIOFMZZFVARODE-HNNXBMFYSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001277391350 805537795 /nfs/dbraw/zinc/53/77/95/805537795.db2.gz IIOFMZZFVARODE-HNNXBMFYSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001277391350 805537800 /nfs/dbraw/zinc/53/78/00/805537800.db2.gz IIOFMZZFVARODE-HNNXBMFYSA-N 2 1 293.411 0.263 20 30 CCEDMP C=CCOC[C@@H](O)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246021446 807120273 /nfs/dbraw/zinc/12/02/73/807120273.db2.gz MNOPBIWWHJWUHI-STQMWFEESA-N 2 1 260.353 0.703 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246021446 807120278 /nfs/dbraw/zinc/12/02/78/807120278.db2.gz MNOPBIWWHJWUHI-STQMWFEESA-N 2 1 260.353 0.703 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CC[NH2+]CC1 ZINC001246304614 807215097 /nfs/dbraw/zinc/21/50/97/807215097.db2.gz FQVWKFQPVXWQOR-ZDUSSCGKSA-N 3 1 269.389 0.555 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+](CCC)CCC[NH+](C)C ZINC001251857595 807725717 /nfs/dbraw/zinc/72/57/17/807725717.db2.gz GLNGGVBDOAIEKB-AWEZNQCLSA-N 2 1 256.390 0.661 20 30 CCEDMP C#CCOC[C@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001251891485 807737596 /nfs/dbraw/zinc/73/75/96/807737596.db2.gz UDRIJYFGWWKBNP-LXTVHRRPSA-N 2 1 266.385 0.602 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474685 815144923 /nfs/dbraw/zinc/14/49/23/815144923.db2.gz VHLKKJMEBOKZBY-YJNKXOJESA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474685 815144924 /nfs/dbraw/zinc/14/49/24/815144924.db2.gz VHLKKJMEBOKZBY-YJNKXOJESA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474685 815144926 /nfs/dbraw/zinc/14/49/26/815144926.db2.gz VHLKKJMEBOKZBY-YJNKXOJESA-N 2 1 295.427 0.454 20 30 CCEDMP C[N@H+]1CCCN(CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254642481 808269107 /nfs/dbraw/zinc/26/91/07/808269107.db2.gz HXWWPSNKZKAGKJ-KGLIPLIRSA-N 2 1 250.390 0.906 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522145 815205563 /nfs/dbraw/zinc/20/55/63/815205563.db2.gz VFTCSTIHEPONOF-ZNMIVQPWSA-N 2 1 295.427 0.312 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522145 815205566 /nfs/dbraw/zinc/20/55/66/815205566.db2.gz VFTCSTIHEPONOF-ZNMIVQPWSA-N 2 1 295.427 0.312 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522145 815205569 /nfs/dbraw/zinc/20/55/69/815205569.db2.gz VFTCSTIHEPONOF-ZNMIVQPWSA-N 2 1 295.427 0.312 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522145 815205571 /nfs/dbraw/zinc/20/55/71/815205571.db2.gz VFTCSTIHEPONOF-ZNMIVQPWSA-N 2 1 295.427 0.312 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076175593 815255406 /nfs/dbraw/zinc/25/54/06/815255406.db2.gz LQOHIYFMJCQDPK-YHUYYLMFSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076175593 815255407 /nfs/dbraw/zinc/25/54/07/815255407.db2.gz LQOHIYFMJCQDPK-YHUYYLMFSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076175593 815255412 /nfs/dbraw/zinc/25/54/12/815255412.db2.gz LQOHIYFMJCQDPK-YHUYYLMFSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001076240384 815262704 /nfs/dbraw/zinc/26/27/04/815262704.db2.gz YAGSADLLYPNXPZ-QLFBSQMISA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001076240384 815262708 /nfs/dbraw/zinc/26/27/08/815262708.db2.gz YAGSADLLYPNXPZ-QLFBSQMISA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001076240384 815262710 /nfs/dbraw/zinc/26/27/10/815262710.db2.gz YAGSADLLYPNXPZ-QLFBSQMISA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076461891 815299816 /nfs/dbraw/zinc/29/98/16/815299816.db2.gz AIUUYSCMNIIWCW-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076461891 815299821 /nfs/dbraw/zinc/29/98/21/815299821.db2.gz AIUUYSCMNIIWCW-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076461891 815299826 /nfs/dbraw/zinc/29/98/26/815299826.db2.gz AIUUYSCMNIIWCW-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001265317269 809757395 /nfs/dbraw/zinc/75/73/95/809757395.db2.gz MHFKRJBISVJVQE-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001265377907 809768078 /nfs/dbraw/zinc/76/80/78/809768078.db2.gz DVATVRVBEDIUMC-UKRRQHHQSA-N 2 1 277.412 0.836 20 30 CCEDMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001265381765 809769105 /nfs/dbraw/zinc/76/91/05/809769105.db2.gz AJXVHNFIFUXSHW-CABCVRRESA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001265381765 809769109 /nfs/dbraw/zinc/76/91/09/809769109.db2.gz AJXVHNFIFUXSHW-CABCVRRESA-N 2 1 295.427 0.768 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265624696 809815761 /nfs/dbraw/zinc/81/57/61/809815761.db2.gz XOEUCRKMJGPFON-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001265783003 809851949 /nfs/dbraw/zinc/85/19/49/809851949.db2.gz FVOPZMLHXJMSKI-CYBMUJFWSA-N 2 1 281.400 0.215 20 30 CCEDMP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001266189392 809957689 /nfs/dbraw/zinc/95/76/89/809957689.db2.gz QSAZUXFIHAFOQL-ZIAGYGMSSA-N 2 1 281.400 0.072 20 30 CCEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001279531058 809985457 /nfs/dbraw/zinc/98/54/57/809985457.db2.gz YXNWYEJMILATEU-INIZCTEOSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001279531058 809985460 /nfs/dbraw/zinc/98/54/60/809985460.db2.gz YXNWYEJMILATEU-INIZCTEOSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001279624629 809990039 /nfs/dbraw/zinc/99/00/39/809990039.db2.gz OBPZHVQAQXZMCV-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267307231 811128546 /nfs/dbraw/zinc/12/85/46/811128546.db2.gz OMRSXASEWWSOED-KGLIPLIRSA-N 2 1 265.401 0.644 20 30 CCEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001267338256 811173103 /nfs/dbraw/zinc/17/31/03/811173103.db2.gz SPCQBCRNNGUTOH-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001267338256 811173107 /nfs/dbraw/zinc/17/31/07/811173107.db2.gz SPCQBCRNNGUTOH-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001267338256 811173113 /nfs/dbraw/zinc/17/31/13/811173113.db2.gz SPCQBCRNNGUTOH-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758584 811607458 /nfs/dbraw/zinc/60/74/58/811607458.db2.gz FIIPMMLUBLEMEQ-UHFFFAOYSA-N 2 1 295.427 0.769 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001077236368 815466249 /nfs/dbraw/zinc/46/62/49/815466249.db2.gz JURQPFPFLCEYQE-HZSPNIEDSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077236368 815466253 /nfs/dbraw/zinc/46/62/53/815466253.db2.gz JURQPFPFLCEYQE-HZSPNIEDSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001077236368 815466258 /nfs/dbraw/zinc/46/62/58/815466258.db2.gz JURQPFPFLCEYQE-HZSPNIEDSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077236368 815466260 /nfs/dbraw/zinc/46/62/60/815466260.db2.gz JURQPFPFLCEYQE-HZSPNIEDSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077236368 815466263 /nfs/dbraw/zinc/46/62/63/815466263.db2.gz JURQPFPFLCEYQE-HZSPNIEDSA-N 2 1 281.400 0.208 20 30 CCEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001268042422 812078295 /nfs/dbraw/zinc/07/82/95/812078295.db2.gz QJUDJUYSFHXCEN-AWEZNQCLSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027891905 812124645 /nfs/dbraw/zinc/12/46/45/812124645.db2.gz KNQMMEISDWKWOK-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027891905 812124650 /nfs/dbraw/zinc/12/46/50/812124650.db2.gz KNQMMEISDWKWOK-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027891905 812124652 /nfs/dbraw/zinc/12/46/52/812124652.db2.gz KNQMMEISDWKWOK-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028118180 812291071 /nfs/dbraw/zinc/29/10/71/812291071.db2.gz XBLILTVNVKQKKR-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP Cc1nnc(NC(=[NH2+])NCCCC[NH3+])c(C#N)c1C ZINC001167877666 812376069 /nfs/dbraw/zinc/37/60/69/812376069.db2.gz JCFMKBNVPSQSRX-UHFFFAOYSA-N 2 1 261.333 0.640 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268303648 812467195 /nfs/dbraw/zinc/46/71/95/812467195.db2.gz BQXGBTFIKHYRDE-OLZOCXBDSA-N 2 1 269.389 0.112 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001028447196 812710374 /nfs/dbraw/zinc/71/03/74/812710374.db2.gz NMJWBQMLHHZPKS-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447196 812710376 /nfs/dbraw/zinc/71/03/76/812710376.db2.gz NMJWBQMLHHZPKS-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447196 812710379 /nfs/dbraw/zinc/71/03/79/812710379.db2.gz NMJWBQMLHHZPKS-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028548989 812829608 /nfs/dbraw/zinc/82/96/08/812829608.db2.gz JRAHUJVTHLAVBT-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028548989 812829620 /nfs/dbraw/zinc/82/96/20/812829620.db2.gz JRAHUJVTHLAVBT-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001028580382 812862442 /nfs/dbraw/zinc/86/24/42/812862442.db2.gz VNSJFIRZAYUFAS-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001028580382 812862450 /nfs/dbraw/zinc/86/24/50/812862450.db2.gz VNSJFIRZAYUFAS-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001028580382 812862460 /nfs/dbraw/zinc/86/24/60/812862460.db2.gz VNSJFIRZAYUFAS-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001269145218 813238598 /nfs/dbraw/zinc/23/85/98/813238598.db2.gz PCRGITOPDOPELC-ZDUSSCGKSA-N 2 1 262.357 0.862 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028985353 813725026 /nfs/dbraw/zinc/72/50/26/813725026.db2.gz KKQJPELMQZQSCW-KGLIPLIRSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028985353 813725030 /nfs/dbraw/zinc/72/50/30/813725030.db2.gz KKQJPELMQZQSCW-KGLIPLIRSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028985353 813725036 /nfs/dbraw/zinc/72/50/36/813725036.db2.gz KKQJPELMQZQSCW-KGLIPLIRSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271206790 814333548 /nfs/dbraw/zinc/33/35/48/814333548.db2.gz HTPDEDCSLSGZFD-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168146696 814739707 /nfs/dbraw/zinc/73/97/07/814739707.db2.gz IWMXVZFDSDPKIC-AWEZNQCLSA-N 2 1 277.412 0.838 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417774 816155532 /nfs/dbraw/zinc/15/55/32/816155532.db2.gz YTOJBAVGCAHKTH-UHFFFAOYSA-N 2 1 269.389 0.381 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980270 816201441 /nfs/dbraw/zinc/20/14/41/816201441.db2.gz CICNWSVLSRDHRH-ILXRZTDVSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001088980270 816201448 /nfs/dbraw/zinc/20/14/48/816201448.db2.gz CICNWSVLSRDHRH-ILXRZTDVSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001088980270 816201454 /nfs/dbraw/zinc/20/14/54/816201454.db2.gz CICNWSVLSRDHRH-ILXRZTDVSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696118 816454116 /nfs/dbraw/zinc/45/41/16/816454116.db2.gz KFEWRSYQHYNRCM-KGLIPLIRSA-N 2 1 295.427 0.598 20 30 CCEDMP N#Cc1cc(F)cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234992432 816790792 /nfs/dbraw/zinc/79/07/92/816790792.db2.gz ZNKFIZYOXXJSJL-OAHLLOKOSA-N 2 1 274.343 0.835 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031921637 817465373 /nfs/dbraw/zinc/46/53/73/817465373.db2.gz XKBBLFULOOMUQA-HNNXBMFYSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976694 817514108 /nfs/dbraw/zinc/51/41/08/817514108.db2.gz QSCMTWJBMUZHRV-TZMCWYRMSA-N 2 1 265.401 0.808 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128833 817656820 /nfs/dbraw/zinc/65/68/20/817656820.db2.gz LGFHPTXPRVOOJD-HUUCEWRRSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782766 817775428 /nfs/dbraw/zinc/77/54/28/817775428.db2.gz KQSUKXAGVRSXCG-KGLIPLIRSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782766 817775436 /nfs/dbraw/zinc/77/54/36/817775436.db2.gz KQSUKXAGVRSXCG-KGLIPLIRSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782766 817775440 /nfs/dbraw/zinc/77/54/40/817775440.db2.gz KQSUKXAGVRSXCG-KGLIPLIRSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032945625 818381393 /nfs/dbraw/zinc/38/13/93/818381393.db2.gz PVSFUHAOQGKXOC-QWHCGFSZSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032945625 818381395 /nfs/dbraw/zinc/38/13/95/818381395.db2.gz PVSFUHAOQGKXOC-QWHCGFSZSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032945625 818381397 /nfs/dbraw/zinc/38/13/97/818381397.db2.gz PVSFUHAOQGKXOC-QWHCGFSZSA-N 2 1 251.374 0.799 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033419059 818765269 /nfs/dbraw/zinc/76/52/69/818765269.db2.gz GNWRMPYIWVVNMY-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033419059 818765276 /nfs/dbraw/zinc/76/52/76/818765276.db2.gz GNWRMPYIWVVNMY-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033419059 818765284 /nfs/dbraw/zinc/76/52/84/818765284.db2.gz GNWRMPYIWVVNMY-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592038 818841710 /nfs/dbraw/zinc/84/17/10/818841710.db2.gz FBXJQGSEVWXMCD-ZDUSSCGKSA-N 2 1 263.385 0.801 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033660504 818881274 /nfs/dbraw/zinc/88/12/74/818881274.db2.gz HXDFBENPZRDQIX-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033660504 818881278 /nfs/dbraw/zinc/88/12/78/818881278.db2.gz HXDFBENPZRDQIX-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033660504 818881283 /nfs/dbraw/zinc/88/12/83/818881283.db2.gz HXDFBENPZRDQIX-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033939424 819015308 /nfs/dbraw/zinc/01/53/08/819015308.db2.gz ALWSVXJSBSHYIA-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034149316 819098213 /nfs/dbraw/zinc/09/82/13/819098213.db2.gz VNFKLFMIEATAHY-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034149316 819098217 /nfs/dbraw/zinc/09/82/17/819098217.db2.gz VNFKLFMIEATAHY-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149316 819098221 /nfs/dbraw/zinc/09/82/21/819098221.db2.gz VNFKLFMIEATAHY-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149316 819098225 /nfs/dbraw/zinc/09/82/25/819098225.db2.gz VNFKLFMIEATAHY-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034524519 819227535 /nfs/dbraw/zinc/22/75/35/819227535.db2.gz HCMJWFRTHMJSBG-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034524519 819227541 /nfs/dbraw/zinc/22/75/41/819227541.db2.gz HCMJWFRTHMJSBG-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034524519 819227548 /nfs/dbraw/zinc/22/75/48/819227548.db2.gz HCMJWFRTHMJSBG-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079707902 820455366 /nfs/dbraw/zinc/45/53/66/820455366.db2.gz YJVFRPDOCOAABP-FVQBIDKESA-N 2 1 289.423 0.788 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079709320 820455857 /nfs/dbraw/zinc/45/58/57/820455857.db2.gz YWWOODMIEVHBHH-VHDGCEQUSA-N 2 1 277.412 0.951 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084831306 821405234 /nfs/dbraw/zinc/40/52/34/821405234.db2.gz GBCRFFVBJGGEPL-RBSFLKMASA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084831306 821405241 /nfs/dbraw/zinc/40/52/41/821405241.db2.gz GBCRFFVBJGGEPL-RBSFLKMASA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084831306 821405244 /nfs/dbraw/zinc/40/52/44/821405244.db2.gz GBCRFFVBJGGEPL-RBSFLKMASA-N 2 1 275.396 0.494 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001084866405 821414352 /nfs/dbraw/zinc/41/43/52/821414352.db2.gz PABVCJFNTQYBHF-ZIAGYGMSSA-N 2 1 274.368 0.992 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531013 821771322 /nfs/dbraw/zinc/77/13/22/821771322.db2.gz KODGAGKNNSGFDP-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531013 821771326 /nfs/dbraw/zinc/77/13/26/821771326.db2.gz KODGAGKNNSGFDP-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531013 821771330 /nfs/dbraw/zinc/77/13/30/821771330.db2.gz KODGAGKNNSGFDP-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531013 821771332 /nfs/dbraw/zinc/77/13/32/821771332.db2.gz KODGAGKNNSGFDP-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100063860 822208084 /nfs/dbraw/zinc/20/80/84/822208084.db2.gz DYWTWVAHRFMLFL-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100063860 822208087 /nfs/dbraw/zinc/20/80/87/822208087.db2.gz DYWTWVAHRFMLFL-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100063860 822208092 /nfs/dbraw/zinc/20/80/92/822208092.db2.gz DYWTWVAHRFMLFL-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086371685 822229767 /nfs/dbraw/zinc/22/97/67/822229767.db2.gz SNUFQVULSGAKHN-TUVASFSCSA-N 2 1 293.411 0.520 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081458 822249751 /nfs/dbraw/zinc/24/97/51/822249751.db2.gz SRUVJSYOFDOFAV-LSDHHAIUSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001086478778 822274805 /nfs/dbraw/zinc/27/48/05/822274805.db2.gz ZMGQXNLJQYDZTP-SYQHCUMBSA-N 2 1 263.385 0.302 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@H](C)F ZINC001129770840 837559390 /nfs/dbraw/zinc/55/93/90/837559390.db2.gz LMSRYKJPDQVMNG-STQMWFEESA-N 2 1 269.364 0.538 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@H](C)F ZINC001129770840 837559397 /nfs/dbraw/zinc/55/93/97/837559397.db2.gz LMSRYKJPDQVMNG-STQMWFEESA-N 2 1 269.364 0.538 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183760379 844084378 /nfs/dbraw/zinc/08/43/78/844084378.db2.gz WTPLTSALQULSIY-CYBMUJFWSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387107 836645380 /nfs/dbraw/zinc/64/53/80/836645380.db2.gz SCJFKEWKUKTQNK-AWEZNQCLSA-N 2 1 293.415 0.485 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130645443 837881504 /nfs/dbraw/zinc/88/15/04/837881504.db2.gz KQMAESIMAPZBTC-UHFFFAOYSA-N 2 1 264.329 0.079 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380488 838078066 /nfs/dbraw/zinc/07/80/66/838078066.db2.gz NKZDSEYHULEMJJ-UHFFFAOYSA-N 2 1 250.346 0.864 20 30 CCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277058 838352193 /nfs/dbraw/zinc/35/21/93/838352193.db2.gz ANNFHPRSJIELML-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132367607 838372312 /nfs/dbraw/zinc/37/23/12/838372312.db2.gz DCORYDSJXFBMSJ-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132522230 838425960 /nfs/dbraw/zinc/42/59/60/838425960.db2.gz NFIACQIKDXISHU-KBPBESRZSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132522230 838425963 /nfs/dbraw/zinc/42/59/63/838425963.db2.gz NFIACQIKDXISHU-KBPBESRZSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132522230 838425972 /nfs/dbraw/zinc/42/59/72/838425972.db2.gz NFIACQIKDXISHU-KBPBESRZSA-N 2 1 265.401 0.929 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133865533 838756633 /nfs/dbraw/zinc/75/66/33/838756633.db2.gz FCPKJNSLEHHSPM-KOLCDFICSA-N 2 1 259.781 0.642 20 30 CCEDMP C#CC[NH2+]CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001134723560 839054463 /nfs/dbraw/zinc/05/44/63/839054463.db2.gz NIHQOGNXKHIFPC-UHFFFAOYSA-N 2 1 262.357 0.736 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675913 839354534 /nfs/dbraw/zinc/35/45/34/839354534.db2.gz NLTYUIRDLACHMN-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135861133 839447367 /nfs/dbraw/zinc/44/73/67/839447367.db2.gz MOHTVTBVIBUTRQ-LSDHHAIUSA-N 2 1 297.443 0.851 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148611517 840844474 /nfs/dbraw/zinc/84/44/74/840844474.db2.gz BVMANYSLPXNOGT-UHFFFAOYSA-N 2 1 293.411 0.122 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)[C@H](C)C1 ZINC001092521592 841031584 /nfs/dbraw/zinc/03/15/84/841031584.db2.gz AAFZEBAFEDYRKV-MCIONIFRSA-N 2 1 281.400 0.187 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521592 841031597 /nfs/dbraw/zinc/03/15/97/841031597.db2.gz AAFZEBAFEDYRKV-MCIONIFRSA-N 2 1 281.400 0.187 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521592 841031604 /nfs/dbraw/zinc/03/16/04/841031604.db2.gz AAFZEBAFEDYRKV-MCIONIFRSA-N 2 1 281.400 0.187 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092521592 841031614 /nfs/dbraw/zinc/03/16/14/841031614.db2.gz AAFZEBAFEDYRKV-MCIONIFRSA-N 2 1 281.400 0.187 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092521592 841031620 /nfs/dbraw/zinc/03/16/20/841031620.db2.gz AAFZEBAFEDYRKV-MCIONIFRSA-N 2 1 281.400 0.187 20 30 CCEDMP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C ZINC001273458609 841113166 /nfs/dbraw/zinc/11/31/66/841113166.db2.gz QJHCWGZACZOFQB-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133447 841152657 /nfs/dbraw/zinc/15/26/57/841152657.db2.gz FRAGYNXATBMBIR-HUUCEWRRSA-N 2 1 289.423 0.790 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896369 841663943 /nfs/dbraw/zinc/66/39/43/841663943.db2.gz NWIILBRLXPXMIG-HUUCEWRRSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896369 841663945 /nfs/dbraw/zinc/66/39/45/841663945.db2.gz NWIILBRLXPXMIG-HUUCEWRRSA-N 2 1 286.379 0.748 20 30 CCEDMP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001273577751 845104184 /nfs/dbraw/zinc/10/41/84/845104184.db2.gz DHGQDHWBFFCDRB-HNNXBMFYSA-N 2 1 297.443 0.757 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190653795 845453921 /nfs/dbraw/zinc/45/39/21/845453921.db2.gz GHOFGNPTQFWIOQ-CABCVRRESA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192047016 845770309 /nfs/dbraw/zinc/77/03/09/845770309.db2.gz QCPNEZFPBHIWQJ-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488184 846091506 /nfs/dbraw/zinc/09/15/06/846091506.db2.gz MARSIJFMLCBLRG-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001273895020 847784312 /nfs/dbraw/zinc/78/43/12/847784312.db2.gz ZUOJJJDHCZRPEF-GDBMZVCRSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001202504659 848003435 /nfs/dbraw/zinc/00/34/35/848003435.db2.gz VHDFPFXBXKCFJW-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114409188 848051472 /nfs/dbraw/zinc/05/14/72/848051472.db2.gz HWCROKWEMBPVKT-CBBWQLFWSA-N 2 1 275.396 0.396 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114438456 848064951 /nfs/dbraw/zinc/06/49/51/848064951.db2.gz BXPCJIZDJQPDPX-DGAVXFQQSA-N 2 1 265.401 0.805 20 30 CCEDMP C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001274760669 848562669 /nfs/dbraw/zinc/56/26/69/848562669.db2.gz POPAVOOIUPSVTE-MGPQQGTHSA-N 2 1 283.416 0.624 20 30 CCEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001275976322 848877535 /nfs/dbraw/zinc/87/75/35/848877535.db2.gz BSUVQPYCSBFHME-CHWSQXEVSA-N 2 1 253.390 0.642 20 30 CCEDMP C#CCCC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001275978411 848880614 /nfs/dbraw/zinc/88/06/14/848880614.db2.gz OMUJMMBWVXTYBI-GASCZTMLSA-N 2 1 265.401 0.346 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC ZINC001095556388 848987613 /nfs/dbraw/zinc/98/76/13/848987613.db2.gz PBERTIRSJANLEA-QPSCCSFWSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981608 849036848 /nfs/dbraw/zinc/03/68/48/849036848.db2.gz UKMMNLACYKEKAG-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001111309718 849161562 /nfs/dbraw/zinc/16/15/62/849161562.db2.gz WDJNFUPBERCVJW-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001111309718 849161567 /nfs/dbraw/zinc/16/15/67/849161567.db2.gz WDJNFUPBERCVJW-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001111309718 849161571 /nfs/dbraw/zinc/16/15/71/849161571.db2.gz WDJNFUPBERCVJW-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001111309718 849161574 /nfs/dbraw/zinc/16/15/74/849161574.db2.gz WDJNFUPBERCVJW-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114746279 849385068 /nfs/dbraw/zinc/38/50/68/849385068.db2.gz PJJQJYXEAPVLHX-WDNDVIMCSA-N 2 1 275.396 0.398 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114848954 849434842 /nfs/dbraw/zinc/43/48/42/849434842.db2.gz IUBDXUCGQRUREV-RFQIPJPRSA-N 2 1 265.401 0.949 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039026424 850128085 /nfs/dbraw/zinc/12/80/85/850128085.db2.gz GCIQIYPSDCXNMW-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039026424 850128091 /nfs/dbraw/zinc/12/80/91/850128091.db2.gz GCIQIYPSDCXNMW-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039026424 850128096 /nfs/dbraw/zinc/12/80/96/850128096.db2.gz GCIQIYPSDCXNMW-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041832426 850508691 /nfs/dbraw/zinc/50/86/91/850508691.db2.gz YHEFALGQGPCYSD-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041832426 850508699 /nfs/dbraw/zinc/50/86/99/850508699.db2.gz YHEFALGQGPCYSD-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041832426 850508707 /nfs/dbraw/zinc/50/87/07/850508707.db2.gz YHEFALGQGPCYSD-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314998 850613964 /nfs/dbraw/zinc/61/39/64/850613964.db2.gz YBQJVTGUSNRZOA-LSDHHAIUSA-N 2 1 287.407 0.638 20 30 CCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001045476902 851265439 /nfs/dbraw/zinc/26/54/39/851265439.db2.gz GIHSTTJKKYDRQF-ZIAGYGMSSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001045476902 851265446 /nfs/dbraw/zinc/26/54/46/851265446.db2.gz GIHSTTJKKYDRQF-ZIAGYGMSSA-N 2 1 293.411 0.309 20 30 CCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046189247 851412225 /nfs/dbraw/zinc/41/22/25/851412225.db2.gz KWEZESDRSGYRAC-OCCSQVGLSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001047528853 851804123 /nfs/dbraw/zinc/80/41/23/851804123.db2.gz FPHJWJOUYTYEDU-KBPBESRZSA-N 2 1 295.427 0.408 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001047528853 851804125 /nfs/dbraw/zinc/80/41/25/851804125.db2.gz FPHJWJOUYTYEDU-KBPBESRZSA-N 2 1 295.427 0.408 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047528853 851804135 /nfs/dbraw/zinc/80/41/35/851804135.db2.gz FPHJWJOUYTYEDU-KBPBESRZSA-N 2 1 295.427 0.408 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047528853 851804142 /nfs/dbraw/zinc/80/41/42/851804142.db2.gz FPHJWJOUYTYEDU-KBPBESRZSA-N 2 1 295.427 0.408 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC001048975096 852126124 /nfs/dbraw/zinc/12/61/24/852126124.db2.gz OMVMGYWYUDRVRR-GASCZTMLSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049024794 852141231 /nfs/dbraw/zinc/14/12/31/852141231.db2.gz CDASVCCHMZXLEW-IYBDPMFKSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)Cn3ccnc3C)C[C@H]2C1 ZINC001049215819 852195815 /nfs/dbraw/zinc/19/58/15/852195815.db2.gz LJUQSDHMTZCTNI-OKILXGFUSA-N 2 1 272.352 0.215 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001049215819 852195822 /nfs/dbraw/zinc/19/58/22/852195822.db2.gz LJUQSDHMTZCTNI-OKILXGFUSA-N 2 1 272.352 0.215 20 30 CCEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001276379468 852446715 /nfs/dbraw/zinc/44/67/15/852446715.db2.gz GURYAIVGLFRNMV-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052676679 852638690 /nfs/dbraw/zinc/63/86/90/852638690.db2.gz JCVIYCVPLOXAFT-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053755754 852806207 /nfs/dbraw/zinc/80/62/07/852806207.db2.gz JWNKYLTYJUXUEN-KGLIPLIRSA-N 2 1 293.411 0.616 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053755754 852806212 /nfs/dbraw/zinc/80/62/12/852806212.db2.gz JWNKYLTYJUXUEN-KGLIPLIRSA-N 2 1 293.411 0.616 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053755753 852806943 /nfs/dbraw/zinc/80/69/43/852806943.db2.gz JWNKYLTYJUXUEN-KBPBESRZSA-N 2 1 293.411 0.616 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053755753 852806951 /nfs/dbraw/zinc/80/69/51/852806951.db2.gz JWNKYLTYJUXUEN-KBPBESRZSA-N 2 1 293.411 0.616 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001000699528 853247104 /nfs/dbraw/zinc/24/71/04/853247104.db2.gz ILDGPSXSLBECDQ-UKRRQHHQSA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001000699528 853247113 /nfs/dbraw/zinc/24/71/13/853247113.db2.gz ILDGPSXSLBECDQ-UKRRQHHQSA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001000699528 853247122 /nfs/dbraw/zinc/24/71/22/853247122.db2.gz ILDGPSXSLBECDQ-UKRRQHHQSA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001052252448 853714686 /nfs/dbraw/zinc/71/46/86/853714686.db2.gz UDIHRCDYVXRHDU-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052252448 853714689 /nfs/dbraw/zinc/71/46/89/853714689.db2.gz UDIHRCDYVXRHDU-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052252448 853714693 /nfs/dbraw/zinc/71/46/93/853714693.db2.gz UDIHRCDYVXRHDU-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052276174 853723032 /nfs/dbraw/zinc/72/30/32/853723032.db2.gz YMVSCFGPXJBMPP-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052276174 853723038 /nfs/dbraw/zinc/72/30/38/853723038.db2.gz YMVSCFGPXJBMPP-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276174 853723041 /nfs/dbraw/zinc/72/30/41/853723041.db2.gz YMVSCFGPXJBMPP-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276174 853723047 /nfs/dbraw/zinc/72/30/47/853723047.db2.gz YMVSCFGPXJBMPP-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C2)C1 ZINC001072822325 854471943 /nfs/dbraw/zinc/47/19/43/854471943.db2.gz AUPFFQAIEIGWOQ-HNNXBMFYSA-N 2 1 285.391 0.252 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C2)C1 ZINC001072822325 854471951 /nfs/dbraw/zinc/47/19/51/854471951.db2.gz AUPFFQAIEIGWOQ-HNNXBMFYSA-N 2 1 285.391 0.252 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC#C)C2 ZINC001072822325 854471957 /nfs/dbraw/zinc/47/19/57/854471957.db2.gz AUPFFQAIEIGWOQ-HNNXBMFYSA-N 2 1 285.391 0.252 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC#C)C2 ZINC001072822325 854471960 /nfs/dbraw/zinc/47/19/60/854471960.db2.gz AUPFFQAIEIGWOQ-HNNXBMFYSA-N 2 1 285.391 0.252 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001072982937 854506607 /nfs/dbraw/zinc/50/66/07/854506607.db2.gz GJZYRHPGDNDVHB-ZIAGYGMSSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072982937 854506613 /nfs/dbraw/zinc/50/66/13/854506613.db2.gz GJZYRHPGDNDVHB-ZIAGYGMSSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072982937 854506618 /nfs/dbraw/zinc/50/66/18/854506618.db2.gz GJZYRHPGDNDVHB-ZIAGYGMSSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073130828 854536303 /nfs/dbraw/zinc/53/63/03/854536303.db2.gz ACSUULOVMXKYQZ-UHFFFAOYSA-N 2 1 298.390 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073130828 854536312 /nfs/dbraw/zinc/53/63/12/854536312.db2.gz ACSUULOVMXKYQZ-UHFFFAOYSA-N 2 1 298.390 0.929 20 30 CCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073555290 854591874 /nfs/dbraw/zinc/59/18/74/854591874.db2.gz ZFQYZNZHBFUIGO-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073555290 854591875 /nfs/dbraw/zinc/59/18/75/854591875.db2.gz ZFQYZNZHBFUIGO-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073555290 854591876 /nfs/dbraw/zinc/59/18/76/854591876.db2.gz ZFQYZNZHBFUIGO-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073886581 854660183 /nfs/dbraw/zinc/66/01/83/854660183.db2.gz RSXNJRYUNGAPRF-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886581 854660188 /nfs/dbraw/zinc/66/01/88/854660188.db2.gz RSXNJRYUNGAPRF-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886581 854660193 /nfs/dbraw/zinc/66/01/93/854660193.db2.gz RSXNJRYUNGAPRF-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001098398845 854862950 /nfs/dbraw/zinc/86/29/50/854862950.db2.gz NLFYSDRKCSUXFG-SYQHCUMBSA-N 2 1 263.385 0.846 20 30 CCEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001098398845 854862952 /nfs/dbraw/zinc/86/29/52/854862952.db2.gz NLFYSDRKCSUXFG-SYQHCUMBSA-N 2 1 263.385 0.846 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001098398845 854862954 /nfs/dbraw/zinc/86/29/54/854862954.db2.gz NLFYSDRKCSUXFG-SYQHCUMBSA-N 2 1 263.385 0.846 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973979 855057552 /nfs/dbraw/zinc/05/75/52/855057552.db2.gz LVYXDCDINJGAQQ-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001101009706 855253400 /nfs/dbraw/zinc/25/34/00/855253400.db2.gz ZPEJFCXVGCUNFI-YMAMQOFZSA-N 2 1 293.411 0.215 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001101009706 855253411 /nfs/dbraw/zinc/25/34/11/855253411.db2.gz ZPEJFCXVGCUNFI-YMAMQOFZSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015485 855407465 /nfs/dbraw/zinc/40/74/65/855407465.db2.gz HTKATRRCTNNLPH-KFWWJZLASA-N 2 1 297.418 0.984 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103723275 855527292 /nfs/dbraw/zinc/52/72/92/855527292.db2.gz BORAGFNEUZENIO-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103723275 855527296 /nfs/dbraw/zinc/52/72/96/855527296.db2.gz BORAGFNEUZENIO-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115304049 855660790 /nfs/dbraw/zinc/66/07/90/855660790.db2.gz NRPOEXQTMNYMQX-NHAGDIPZSA-N 2 1 265.401 0.949 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115304049 855660792 /nfs/dbraw/zinc/66/07/92/855660792.db2.gz NRPOEXQTMNYMQX-NHAGDIPZSA-N 2 1 265.401 0.949 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115304049 855660795 /nfs/dbraw/zinc/66/07/95/855660795.db2.gz NRPOEXQTMNYMQX-NHAGDIPZSA-N 2 1 265.401 0.949 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115338683 855663854 /nfs/dbraw/zinc/66/38/54/855663854.db2.gz QNZFNUXSTXNTQP-QLPKVWCKSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2CC)C1 ZINC001119304184 856624747 /nfs/dbraw/zinc/62/47/47/856624747.db2.gz IVDSUEGFAGPNKR-KBPBESRZSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2CC)C1 ZINC001119304184 856624750 /nfs/dbraw/zinc/62/47/50/856624750.db2.gz IVDSUEGFAGPNKR-KBPBESRZSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2CC)C1 ZINC001119304184 856624755 /nfs/dbraw/zinc/62/47/55/856624755.db2.gz IVDSUEGFAGPNKR-KBPBESRZSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+]2CC)C1 ZINC001119304184 856624763 /nfs/dbraw/zinc/62/47/63/856624763.db2.gz IVDSUEGFAGPNKR-KBPBESRZSA-N 2 1 278.400 0.477 20 30 CCEDMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC#CCOC)CC1 ZINC001323583461 912428393 /nfs/dbraw/zinc/42/83/93/912428393.db2.gz WOEHFCJSCWBIMI-UHFFFAOYSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)CC[N@H+](C)CCC)CC1 ZINC001323597258 912441653 /nfs/dbraw/zinc/44/16/53/912441653.db2.gz SULWRWNLXKOGIN-UHFFFAOYSA-N 2 1 251.374 0.590 20 30 CCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001325122356 913228893 /nfs/dbraw/zinc/22/88/93/913228893.db2.gz FVTHNKBBMYZUSC-HNNXBMFYSA-N 2 1 281.400 0.067 20 30 CCEDMP CC[C@@H](C(=O)NCC[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001480936629 891896822 /nfs/dbraw/zinc/89/68/22/891896822.db2.gz JVVWGXMKWXGHQD-ZDUSSCGKSA-N 2 1 269.389 0.024 20 30 CCEDMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001481016195 892056675 /nfs/dbraw/zinc/05/66/75/892056675.db2.gz FLNDFAQDJXVPQP-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001481016195 892056692 /nfs/dbraw/zinc/05/66/92/892056692.db2.gz FLNDFAQDJXVPQP-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481016195 892056709 /nfs/dbraw/zinc/05/67/09/892056709.db2.gz FLNDFAQDJXVPQP-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001325988725 913676952 /nfs/dbraw/zinc/67/69/52/913676952.db2.gz JSNZQBBWHHGKFP-CYBMUJFWSA-N 2 1 269.389 0.067 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCO)C(C)C ZINC001482535562 894204978 /nfs/dbraw/zinc/20/49/78/894204978.db2.gz AVIBWXYWOPLVEJ-CABCVRRESA-N 2 1 295.427 0.197 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCO)C(C)C ZINC001482535562 894204987 /nfs/dbraw/zinc/20/49/87/894204987.db2.gz AVIBWXYWOPLVEJ-CABCVRRESA-N 2 1 295.427 0.197 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001483235148 895209236 /nfs/dbraw/zinc/20/92/36/895209236.db2.gz CLKMEQNUANLLCX-LBPRGKRZSA-N 2 1 251.374 0.588 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483700546 895881151 /nfs/dbraw/zinc/88/11/51/895881151.db2.gz CNDUDLQRCHCUQY-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001483700546 895881166 /nfs/dbraw/zinc/88/11/66/895881166.db2.gz CNDUDLQRCHCUQY-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001483700546 895881177 /nfs/dbraw/zinc/88/11/77/895881177.db2.gz CNDUDLQRCHCUQY-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001483777800 896047704 /nfs/dbraw/zinc/04/77/04/896047704.db2.gz QZRROZFACPNFAN-UHFFFAOYSA-N 2 1 281.400 0.523 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001484640145 896517445 /nfs/dbraw/zinc/51/74/45/896517445.db2.gz ZHWYQKZSROKNSX-ZDUSSCGKSA-N 2 1 263.385 0.732 20 30 CCEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CCN1CCOCC1 ZINC001485074234 896756133 /nfs/dbraw/zinc/75/61/33/896756133.db2.gz UYFIWMZFYXPGKJ-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001485074234 896756142 /nfs/dbraw/zinc/75/61/42/896756142.db2.gz UYFIWMZFYXPGKJ-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001485305219 896948927 /nfs/dbraw/zinc/94/89/27/896948927.db2.gz AXUPBMHMVYMYCI-HZSPNIEDSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001485305219 896948911 /nfs/dbraw/zinc/94/89/11/896948911.db2.gz AXUPBMHMVYMYCI-HZSPNIEDSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001485305219 896948920 /nfs/dbraw/zinc/94/89/20/896948920.db2.gz AXUPBMHMVYMYCI-HZSPNIEDSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CCC ZINC001485377326 897008894 /nfs/dbraw/zinc/00/88/94/897008894.db2.gz ZUWZKRULXCCGQN-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001485377326 897008912 /nfs/dbraw/zinc/00/89/12/897008912.db2.gz ZUWZKRULXCCGQN-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001485377326 897008928 /nfs/dbraw/zinc/00/89/28/897008928.db2.gz ZUWZKRULXCCGQN-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485805454 897260332 /nfs/dbraw/zinc/26/03/32/897260332.db2.gz XQIZISUJIZDKEL-LSDHHAIUSA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485805454 897260347 /nfs/dbraw/zinc/26/03/47/897260347.db2.gz XQIZISUJIZDKEL-LSDHHAIUSA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001032626124 897844200 /nfs/dbraw/zinc/84/42/00/897844200.db2.gz YYYWMRVNSWHYIG-RDBSUJKOSA-N 2 1 263.385 0.942 20 30 CCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001032626124 897844209 /nfs/dbraw/zinc/84/42/09/897844209.db2.gz YYYWMRVNSWHYIG-RDBSUJKOSA-N 2 1 263.385 0.942 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032626124 897844214 /nfs/dbraw/zinc/84/42/14/897844214.db2.gz YYYWMRVNSWHYIG-RDBSUJKOSA-N 2 1 263.385 0.942 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032626124 897844221 /nfs/dbraw/zinc/84/42/21/897844221.db2.gz YYYWMRVNSWHYIG-RDBSUJKOSA-N 2 1 263.385 0.942 20 30 CCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001032628200 897846133 /nfs/dbraw/zinc/84/61/33/897846133.db2.gz SBIIPMOVZDNWDI-RDBSUJKOSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001032628200 897846142 /nfs/dbraw/zinc/84/61/42/897846142.db2.gz SBIIPMOVZDNWDI-RDBSUJKOSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001032628200 897846151 /nfs/dbraw/zinc/84/61/51/897846151.db2.gz SBIIPMOVZDNWDI-RDBSUJKOSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001032628200 897846158 /nfs/dbraw/zinc/84/61/58/897846158.db2.gz SBIIPMOVZDNWDI-RDBSUJKOSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212424289 897951674 /nfs/dbraw/zinc/95/16/74/897951674.db2.gz CMXQPEBMBANTSN-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212424289 897951680 /nfs/dbraw/zinc/95/16/80/897951680.db2.gz CMXQPEBMBANTSN-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212424289 897951686 /nfs/dbraw/zinc/95/16/86/897951686.db2.gz CMXQPEBMBANTSN-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212424289 897951693 /nfs/dbraw/zinc/95/16/93/897951693.db2.gz CMXQPEBMBANTSN-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212424290 897951923 /nfs/dbraw/zinc/95/19/23/897951923.db2.gz CMXQPEBMBANTSN-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212424290 897951935 /nfs/dbraw/zinc/95/19/35/897951935.db2.gz CMXQPEBMBANTSN-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212424290 897951947 /nfs/dbraw/zinc/95/19/47/897951947.db2.gz CMXQPEBMBANTSN-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212424290 897951956 /nfs/dbraw/zinc/95/19/56/897951956.db2.gz CMXQPEBMBANTSN-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001486028424 898618332 /nfs/dbraw/zinc/61/83/32/898618332.db2.gz VMEUXROHUQZZOL-MELADBBJSA-N 2 1 283.416 0.360 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486312380 898788181 /nfs/dbraw/zinc/78/81/81/898788181.db2.gz YLMPGXGYLULJLV-CABCVRRESA-N 2 1 297.443 0.703 20 30 CCEDMP COCC#CC[N@@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001486374940 898837728 /nfs/dbraw/zinc/83/77/28/898837728.db2.gz NOOBWXPGNLZVAK-UHFFFAOYSA-N 2 1 297.443 0.757 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001488761996 900369839 /nfs/dbraw/zinc/36/98/39/900369839.db2.gz RJRDUFJDOSWMRC-HZSPNIEDSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001490367376 900610058 /nfs/dbraw/zinc/61/00/58/900610058.db2.gz NDIMIBVTVXMSMS-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001490367376 900610064 /nfs/dbraw/zinc/61/00/64/900610064.db2.gz NDIMIBVTVXMSMS-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001490367376 900610070 /nfs/dbraw/zinc/61/00/70/900610070.db2.gz NDIMIBVTVXMSMS-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001490367376 900610075 /nfs/dbraw/zinc/61/00/75/900610075.db2.gz NDIMIBVTVXMSMS-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+](CCCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001490367378 900610625 /nfs/dbraw/zinc/61/06/25/900610625.db2.gz NDIMIBVTVXMSMS-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001490367378 900610627 /nfs/dbraw/zinc/61/06/27/900610627.db2.gz NDIMIBVTVXMSMS-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001490367378 900610630 /nfs/dbraw/zinc/61/06/30/900610630.db2.gz NDIMIBVTVXMSMS-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001490367378 900610634 /nfs/dbraw/zinc/61/06/34/900610634.db2.gz NDIMIBVTVXMSMS-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001490741597 900713574 /nfs/dbraw/zinc/71/35/74/900713574.db2.gz WKNASSZYNHWKJW-KBPBESRZSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001280660426 900874201 /nfs/dbraw/zinc/87/42/01/900874201.db2.gz XZNONNFDCPFYAH-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001280597442 904122620 /nfs/dbraw/zinc/12/26/20/904122620.db2.gz UQJHCGWAQAWKSU-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001280595472 904123762 /nfs/dbraw/zinc/12/37/62/904123762.db2.gz KNXIFJHAZUTGRM-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001280757045 904146388 /nfs/dbraw/zinc/14/63/88/904146388.db2.gz SILSUBYICYBJNR-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC001281965649 904377533 /nfs/dbraw/zinc/37/75/33/904377533.db2.gz VOVQUFMYCMNOHJ-CYBMUJFWSA-N 2 1 274.368 0.898 20 30 CCEDMP C#CC[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001282066895 904403797 /nfs/dbraw/zinc/40/37/97/904403797.db2.gz TVAUXOLJEATLTB-IYXRBSQSSA-N 2 1 263.385 0.446 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001491856939 907609205 /nfs/dbraw/zinc/60/92/05/907609205.db2.gz VYZSMMNLTRGWQY-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001491856939 907609208 /nfs/dbraw/zinc/60/92/08/907609208.db2.gz VYZSMMNLTRGWQY-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001492404689 907903648 /nfs/dbraw/zinc/90/36/48/907903648.db2.gz FYHVNKFMOIJHMD-CYBMUJFWSA-N 2 1 253.390 0.644 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001313441081 908667955 /nfs/dbraw/zinc/66/79/55/908667955.db2.gz SYIWXKURFXUPTA-UHFFFAOYSA-N 2 1 286.379 0.749 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001313441081 908667963 /nfs/dbraw/zinc/66/79/63/908667963.db2.gz SYIWXKURFXUPTA-UHFFFAOYSA-N 2 1 286.379 0.749 20 30 CCEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001316749431 908678459 /nfs/dbraw/zinc/67/84/59/908678459.db2.gz UBMYWUOJSITOCO-LSDHHAIUSA-N 2 1 295.427 0.409 20 30 CCEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001316749431 908678469 /nfs/dbraw/zinc/67/84/69/908678469.db2.gz UBMYWUOJSITOCO-LSDHHAIUSA-N 2 1 295.427 0.409 20 30 CCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001316749431 908678478 /nfs/dbraw/zinc/67/84/78/908678478.db2.gz UBMYWUOJSITOCO-LSDHHAIUSA-N 2 1 295.427 0.409 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001316994819 908905701 /nfs/dbraw/zinc/90/57/01/908905701.db2.gz LPZPXIYAEUFHCE-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC=C)C1 ZINC001317059960 908951069 /nfs/dbraw/zinc/95/10/69/908951069.db2.gz STTABYLTOCFBBM-GJZGRUSLSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC=C)C1 ZINC001317059960 908951076 /nfs/dbraw/zinc/95/10/76/908951076.db2.gz STTABYLTOCFBBM-GJZGRUSLSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[NH2+]CCN(C)C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001317626217 909423479 /nfs/dbraw/zinc/42/34/79/909423479.db2.gz OAMNPJFDYJMLIO-UHFFFAOYSA-N 2 1 287.407 0.842 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001318127601 909636540 /nfs/dbraw/zinc/63/65/40/909636540.db2.gz VGQYHLPUPPLLSH-ZDUSSCGKSA-N 2 1 269.364 0.348 20 30 CCEDMP C=CC[NH2+][C@H](CC)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001318594681 909830730 /nfs/dbraw/zinc/83/07/30/909830730.db2.gz JOEXFZKOFQCWCT-QWHCGFSZSA-N 2 1 253.390 0.999 20 30 CCEDMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001319606881 910224130 /nfs/dbraw/zinc/22/41/30/910224130.db2.gz ZTUXDNFXIRWZKW-KBPBESRZSA-N 2 1 283.416 0.624 20 30 CCEDMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001319606881 910224151 /nfs/dbraw/zinc/22/41/51/910224151.db2.gz ZTUXDNFXIRWZKW-KBPBESRZSA-N 2 1 283.416 0.624 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CC1 ZINC001322175400 911692022 /nfs/dbraw/zinc/69/20/22/911692022.db2.gz KXXZHMQIFXBUTQ-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CC1 ZINC001322175400 911692038 /nfs/dbraw/zinc/69/20/38/911692038.db2.gz KXXZHMQIFXBUTQ-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CC1 ZINC001322175400 911692051 /nfs/dbraw/zinc/69/20/51/911692051.db2.gz KXXZHMQIFXBUTQ-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CC1 ZINC001322175400 911692065 /nfs/dbraw/zinc/69/20/65/911692065.db2.gz KXXZHMQIFXBUTQ-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CC1 ZINC001322175400 911692083 /nfs/dbraw/zinc/69/20/83/911692083.db2.gz KXXZHMQIFXBUTQ-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001322182705 911698737 /nfs/dbraw/zinc/69/87/37/911698737.db2.gz HZRAKNUWGXCCAT-OLZOCXBDSA-N 2 1 253.390 0.642 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001329543210 915998923 /nfs/dbraw/zinc/99/89/23/915998923.db2.gz WKWCHOGZFBHKCC-LSDHHAIUSA-N 2 1 297.443 0.659 20 30 CCEDMP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001330405258 916609848 /nfs/dbraw/zinc/60/98/48/916609848.db2.gz QOGRXIXBSQXUCD-ZIAGYGMSSA-N 2 1 292.383 0.583 20 30 CCEDMP C=CC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001330585618 916719143 /nfs/dbraw/zinc/71/91/43/916719143.db2.gz YSLOQGSUUPIUSP-ZDUSSCGKSA-N 2 1 251.374 0.706 20 30 CCEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001331337886 917272732 /nfs/dbraw/zinc/27/27/32/917272732.db2.gz FLISRDRBCXSFQY-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CCC ZINC001331610253 917450618 /nfs/dbraw/zinc/45/06/18/917450618.db2.gz BAWGSMYHIIFFMU-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCC2)C1 ZINC001332407499 918130222 /nfs/dbraw/zinc/13/02/22/918130222.db2.gz DWMDHLNCJVJUCA-HNNXBMFYSA-N 2 1 292.427 0.869 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCC2)C1 ZINC001332407499 918130233 /nfs/dbraw/zinc/13/02/33/918130233.db2.gz DWMDHLNCJVJUCA-HNNXBMFYSA-N 2 1 292.427 0.869 20 30 CCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001333223591 918739480 /nfs/dbraw/zinc/73/94/80/918739480.db2.gz QZZIUTZLIDQFOP-LSDHHAIUSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@@H](C)COC ZINC001492971063 919958499 /nfs/dbraw/zinc/95/84/99/919958499.db2.gz ATHCRUZYEWHYSF-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@@H](C)COC ZINC001492971063 919958512 /nfs/dbraw/zinc/95/85/12/919958512.db2.gz ATHCRUZYEWHYSF-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)COC ZINC001492971063 919958526 /nfs/dbraw/zinc/95/85/26/919958526.db2.gz ATHCRUZYEWHYSF-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)COC ZINC001492971063 919958536 /nfs/dbraw/zinc/95/85/36/919958536.db2.gz ATHCRUZYEWHYSF-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001335443005 920195470 /nfs/dbraw/zinc/19/54/70/920195470.db2.gz FAOFHULUKSSJJN-DZGCQCFKSA-N 2 1 292.427 0.982 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001335540091 920262510 /nfs/dbraw/zinc/26/25/10/920262510.db2.gz WQZCOVYSTPRUTR-HIFRSBDPSA-N 2 1 278.400 0.464 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001341677069 922622858 /nfs/dbraw/zinc/62/28/58/922622858.db2.gz JFNSSTYZOHNCNW-MCIONIFRSA-N 2 1 281.400 0.649 20 30 CCEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001421006520 924088909 /nfs/dbraw/zinc/08/89/09/924088909.db2.gz ZWPQSDDIIDLGSX-NSHDSACASA-N 2 1 271.792 0.929 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]CCC(=O)N(C)OC)CC1 ZINC001356610428 926410353 /nfs/dbraw/zinc/41/03/53/926410353.db2.gz PIBBKGXEBIAJHD-UHFFFAOYSA-N 2 1 267.373 0.474 20 30 CCEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001448875856 931013713 /nfs/dbraw/zinc/01/37/13/931013713.db2.gz YOEIULVKCBWJMN-GJZGRUSLSA-N 2 1 294.443 0.341 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000600744866 362052424 /nfs/dbraw/zinc/05/24/24/362052424.db2.gz QEGJDJLZIQMRSS-CABCVRRESA-N 2 1 295.427 0.868 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000192821214 530067750 /nfs/dbraw/zinc/06/77/50/530067750.db2.gz OCIOMUXQIYUECK-UONOGXRCSA-N 2 1 278.400 0.822 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173615934 351046989 /nfs/dbraw/zinc/04/69/89/351046989.db2.gz WZHJWBYLPWIWJF-LBPRGKRZSA-N 2 1 296.415 0.849 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000363067374 357058426 /nfs/dbraw/zinc/05/84/26/357058426.db2.gz GQRMLRPQWAONON-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000370017374 357350684 /nfs/dbraw/zinc/35/06/84/357350684.db2.gz JNWFQBHDDYNKML-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000370017374 357350689 /nfs/dbraw/zinc/35/06/89/357350689.db2.gz JNWFQBHDDYNKML-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437920 360307090 /nfs/dbraw/zinc/30/70/90/360307090.db2.gz LMKNDXZCKXEFIK-OLZOCXBDSA-N 2 1 266.389 0.856 20 30 CCEDMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594440574 360310106 /nfs/dbraw/zinc/31/01/06/360310106.db2.gz FUGBOTPKDJFLAC-CHWSQXEVSA-N 2 1 266.389 0.856 20 30 CCEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]2C1 ZINC000594443586 360311788 /nfs/dbraw/zinc/31/17/88/360311788.db2.gz RWSQDSKTKUWHJD-MCIONIFRSA-N 2 1 278.400 0.950 20 30 CCEDMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595938344 360715091 /nfs/dbraw/zinc/71/50/91/360715091.db2.gz OOOMWOPPEITYOO-NWDGAFQWSA-N 2 1 266.389 0.997 20 30 CCEDMP CO[C@H](C)C[N@@H+](C)CC#CC[NH+](C)C[C@H](C)OC ZINC000796641731 581447229 /nfs/dbraw/zinc/44/72/29/581447229.db2.gz YYLOKZJRLHWKJG-OKILXGFUSA-N 2 1 256.390 0.923 20 30 CCEDMP CO[C@H](C)C[N@H+](C)CC#CC[NH+](C)C[C@H](C)OC ZINC000796641731 581447231 /nfs/dbraw/zinc/44/72/31/581447231.db2.gz YYLOKZJRLHWKJG-OKILXGFUSA-N 2 1 256.390 0.923 20 30 CCEDMP CC[NH+](CC#CC[N@H+](CC)[C@@H](C)CO)[C@H](C)CO ZINC000339628275 389136598 /nfs/dbraw/zinc/13/65/98/389136598.db2.gz YVUFOAMDJRHYGW-OKILXGFUSA-N 2 1 256.390 0.395 20 30 CCEDMP CC[NH+](CC#CC[N@H+](CC)[C@H](C)CO)[C@@H](C)CO ZINC000339628275 389136602 /nfs/dbraw/zinc/13/66/02/389136602.db2.gz YVUFOAMDJRHYGW-OKILXGFUSA-N 2 1 256.390 0.395 20 30 CCEDMP CC[NH+](CC#CC[N@@H+](CC)[C@H](C)CO)[C@@H](C)CO ZINC000339628275 389136604 /nfs/dbraw/zinc/13/66/04/389136604.db2.gz YVUFOAMDJRHYGW-OKILXGFUSA-N 2 1 256.390 0.395 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000159217815 389361479 /nfs/dbraw/zinc/36/14/79/389361479.db2.gz RTWZLVUHIDHHAK-UHFFFAOYSA-N 2 1 293.371 0.525 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000159217815 389361482 /nfs/dbraw/zinc/36/14/82/389361482.db2.gz RTWZLVUHIDHHAK-UHFFFAOYSA-N 2 1 293.371 0.525 20 30 CCEDMP C=CC[N@@H+](C)CCN(CC)CC(=O)N1CC[NH+](C)CC1 ZINC000411646681 389440500 /nfs/dbraw/zinc/44/05/00/389440500.db2.gz WANAOXKJRLBQNJ-UHFFFAOYSA-N 2 1 282.432 0.200 20 30 CCEDMP C=CC[N@H+](C)CCN(CC)CC(=O)N1CC[NH+](C)CC1 ZINC000411646681 389440505 /nfs/dbraw/zinc/44/05/05/389440505.db2.gz WANAOXKJRLBQNJ-UHFFFAOYSA-N 2 1 282.432 0.200 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420393130 389996008 /nfs/dbraw/zinc/99/60/08/389996008.db2.gz JNOFMNOFBDENIR-QWHCGFSZSA-N 2 1 251.374 0.753 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420393130 389996011 /nfs/dbraw/zinc/99/60/11/389996011.db2.gz JNOFMNOFBDENIR-QWHCGFSZSA-N 2 1 251.374 0.753 20 30 CCEDMP C=CC[C@]1(C(=O)NCCC[N@H+](C)CCOC)CCC[NH2+]1 ZINC000662685572 414741093 /nfs/dbraw/zinc/74/10/93/414741093.db2.gz VBRBFEVVXSJRGT-OAHLLOKOSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000335008734 545047554 /nfs/dbraw/zinc/04/75/54/545047554.db2.gz MHPVPFNXCDZWBI-ZFWWWQNUSA-N 2 1 263.385 0.849 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000335008734 545047556 /nfs/dbraw/zinc/04/75/56/545047556.db2.gz MHPVPFNXCDZWBI-ZFWWWQNUSA-N 2 1 263.385 0.849 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170733 260152907 /nfs/dbraw/zinc/15/29/07/260152907.db2.gz QLINOIHCQSPSJR-NSHDSACASA-N 2 1 268.361 0.059 20 30 CCEDMP N#CCNC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000108860967 260229392 /nfs/dbraw/zinc/22/93/92/260229392.db2.gz OOKFPAFOZLXOAP-UHFFFAOYSA-N 2 1 264.373 0.434 20 30 CCEDMP CNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190528188 264394058 /nfs/dbraw/zinc/39/40/58/264394058.db2.gz BPZBXTDDUPWCGF-AWEZNQCLSA-N 2 1 276.384 0.812 20 30 CCEDMP C=C[C@@H]1CCCCN1CC(=O)N1CCN(C)CC1 ZINC000335852577 265223044 /nfs/dbraw/zinc/22/30/44/265223044.db2.gz TUGLMIASQHFFIM-CYBMUJFWSA-N 2 1 251.374 0.801 20 30 CCEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000570794511 327619869 /nfs/dbraw/zinc/61/98/69/327619869.db2.gz VVMOHBVYQAAOCG-DZGCQCFKSA-N 2 1 293.415 0.624 20 30 CCEDMP N#CCC[C@H](C#N)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000582780383 329183880 /nfs/dbraw/zinc/18/38/80/329183880.db2.gz MPXKZRGYZHCJOJ-KGLIPLIRSA-N 2 1 291.399 0.607 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000262512794 330018996 /nfs/dbraw/zinc/01/89/96/330018996.db2.gz MLMXAYABOQQSMP-YPMHNXCESA-N 2 1 286.445 0.243 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCCCO1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262792454 330031855 /nfs/dbraw/zinc/03/18/55/330031855.db2.gz NNGISOGAWLFXNT-JSGCOSHPSA-N 2 1 280.416 0.957 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCCCO1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262792454 330031856 /nfs/dbraw/zinc/03/18/56/330031856.db2.gz NNGISOGAWLFXNT-JSGCOSHPSA-N 2 1 280.416 0.957 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(C)CCC(=O)N1 ZINC000263187320 330048061 /nfs/dbraw/zinc/04/80/61/330048061.db2.gz VBHPLLSXQNIRAR-RISCZKNCSA-N 2 1 281.404 0.044 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424146907 330293866 /nfs/dbraw/zinc/29/38/66/330293866.db2.gz QKEHJCIXNPBPAE-CHWSQXEVSA-N 2 1 266.389 0.950 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000491220622 332168592 /nfs/dbraw/zinc/16/85/92/332168592.db2.gz PANRHUYMVAWQEE-KRWDZBQOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000491338042 332192366 /nfs/dbraw/zinc/19/23/66/332192366.db2.gz FUZTYEJFVVTFDM-UONOGXRCSA-N 2 1 278.400 0.335 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000491513978 332226502 /nfs/dbraw/zinc/22/65/02/332226502.db2.gz FQUMSNIMKQCZPJ-AWEZNQCLSA-N 2 1 265.401 0.693 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000491554237 332236450 /nfs/dbraw/zinc/23/64/50/332236450.db2.gz HJBJBISKYKKIGA-ZDUSSCGKSA-N 2 1 280.416 0.710 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)C[NH2+]C ZINC000491621360 332246681 /nfs/dbraw/zinc/24/66/81/332246681.db2.gz GYPSBPHGDHXSMN-LBPRGKRZSA-N 2 1 254.378 0.096 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)C[NH2+]C ZINC000491621352 332246713 /nfs/dbraw/zinc/24/67/13/332246713.db2.gz GYPSBPHGDHXSMN-GFCCVEGCSA-N 2 1 254.378 0.096 20 30 CCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000329230302 534077394 /nfs/dbraw/zinc/07/73/94/534077394.db2.gz DJHCWCLMOPRWPV-IHRRRGAJSA-N 2 1 298.431 0.382 20 30 CCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000329230302 534077397 /nfs/dbraw/zinc/07/73/97/534077397.db2.gz DJHCWCLMOPRWPV-IHRRRGAJSA-N 2 1 298.431 0.382 20 30 CCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000329230302 534077404 /nfs/dbraw/zinc/07/74/04/534077404.db2.gz DJHCWCLMOPRWPV-IHRRRGAJSA-N 2 1 298.431 0.382 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C)CC2)CC1 ZINC000334988935 526426807 /nfs/dbraw/zinc/42/68/07/526426807.db2.gz KDCXOUGFCASLBQ-UHFFFAOYSA-N 2 1 266.389 0.594 20 30 CCEDMP CO[C@H](C)C[NH+](C)CC#CC[N@H+](C)C[C@H](C)OC ZINC000796641731 581447227 /nfs/dbraw/zinc/44/72/27/581447227.db2.gz YYLOKZJRLHWKJG-OKILXGFUSA-N 2 1 256.390 0.923 20 30 CCEDMP C[C@@H]1CC(=NNC(=S)NCCC[NH+](C)C)CC[N@H+]1C ZINC000741465045 581753947 /nfs/dbraw/zinc/75/39/47/581753947.db2.gz YBLFKAYAMBSEKR-LLVKDONJSA-N 2 1 285.461 0.872 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCOC)CC[NH+](C)C ZINC000732307817 581819322 /nfs/dbraw/zinc/81/93/22/581819322.db2.gz NNGAAUXMUSJDBC-AWEZNQCLSA-N 2 1 281.400 0.121 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCOC)CC[NH+](C)C ZINC000732307817 581819324 /nfs/dbraw/zinc/81/93/24/581819324.db2.gz NNGAAUXMUSJDBC-AWEZNQCLSA-N 2 1 281.400 0.121 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000894863741 613079471 /nfs/dbraw/zinc/07/94/71/613079471.db2.gz PEQVZZQUJJIZPS-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000969674215 612963827 /nfs/dbraw/zinc/96/38/27/612963827.db2.gz IFWNZPGPOYHKGD-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970911012 612996398 /nfs/dbraw/zinc/99/63/98/612996398.db2.gz RLNDKPSWENUHFZ-ZFWWWQNUSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970911012 612996400 /nfs/dbraw/zinc/99/64/00/612996400.db2.gz RLNDKPSWENUHFZ-ZFWWWQNUSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982221349 613002496 /nfs/dbraw/zinc/00/24/96/613002496.db2.gz XSZGVXDYGFYSCN-UHFFFAOYSA-N 2 1 293.411 0.266 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982221349 613002498 /nfs/dbraw/zinc/00/24/98/613002498.db2.gz XSZGVXDYGFYSCN-UHFFFAOYSA-N 2 1 293.411 0.266 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000981976810 613004536 /nfs/dbraw/zinc/00/45/36/613004536.db2.gz RVEWLMQENMXCOR-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC000962314604 613046332 /nfs/dbraw/zinc/04/63/32/613046332.db2.gz WDACBXIFEHFNCX-FOLVSLTJSA-N 2 1 298.390 0.831 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC000962314604 613046334 /nfs/dbraw/zinc/04/63/34/613046334.db2.gz WDACBXIFEHFNCX-FOLVSLTJSA-N 2 1 298.390 0.831 20 30 CCEDMP C#CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1CC[NH+](C)CC1 ZINC000886581218 613069395 /nfs/dbraw/zinc/06/93/95/613069395.db2.gz OAIPXGMBGUUTNC-OAHLLOKOSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC[NH+](C)CC1 ZINC000886581218 613069396 /nfs/dbraw/zinc/06/93/96/613069396.db2.gz OAIPXGMBGUUTNC-OAHLLOKOSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905276006 613078624 /nfs/dbraw/zinc/07/86/24/613078624.db2.gz UPDLUPOCJYIXQH-CYBMUJFWSA-N 2 1 254.374 0.197 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905276006 613078626 /nfs/dbraw/zinc/07/86/26/613078626.db2.gz UPDLUPOCJYIXQH-CYBMUJFWSA-N 2 1 254.374 0.197 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000894863741 613079470 /nfs/dbraw/zinc/07/94/70/613079470.db2.gz PEQVZZQUJJIZPS-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000972171168 613082667 /nfs/dbraw/zinc/08/26/67/613082667.db2.gz GPTRQKJBTAJKGX-CABCVRRESA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000972171168 613082669 /nfs/dbraw/zinc/08/26/69/613082669.db2.gz GPTRQKJBTAJKGX-CABCVRRESA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972171168 613082671 /nfs/dbraw/zinc/08/26/71/613082671.db2.gz GPTRQKJBTAJKGX-CABCVRRESA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972171168 613082672 /nfs/dbraw/zinc/08/26/72/613082672.db2.gz GPTRQKJBTAJKGX-CABCVRRESA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000980412765 613083490 /nfs/dbraw/zinc/08/34/90/613083490.db2.gz NQSNNYXYZCBHOT-HUUCEWRRSA-N 2 1 293.411 0.121 20 30 CCEDMP C#C[C@H](C)NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000820417380 613115255 /nfs/dbraw/zinc/11/52/55/613115255.db2.gz WCNSCJSLUPSQSY-ZFWWWQNUSA-N 2 1 292.427 0.818 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970928456 613116634 /nfs/dbraw/zinc/11/66/34/613116634.db2.gz LDXNTZKMZTZWCW-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000970928456 613116635 /nfs/dbraw/zinc/11/66/35/613116635.db2.gz LDXNTZKMZTZWCW-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000969691203 613117535 /nfs/dbraw/zinc/11/75/35/613117535.db2.gz RVPJIYLIRPNQDD-VHDGCEQUSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969691203 613117536 /nfs/dbraw/zinc/11/75/36/613117536.db2.gz RVPJIYLIRPNQDD-VHDGCEQUSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000969691203 613117537 /nfs/dbraw/zinc/11/75/37/613117537.db2.gz RVPJIYLIRPNQDD-VHDGCEQUSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000980479881 613129077 /nfs/dbraw/zinc/12/90/77/613129077.db2.gz YMSZYMHMMHAGKC-MRXNPFEDSA-N 2 1 287.407 0.498 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000970926713 613130948 /nfs/dbraw/zinc/13/09/48/613130948.db2.gz WVSRGTPZOBHKHN-AWEZNQCLSA-N 2 1 287.407 0.401 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000928659861 613133474 /nfs/dbraw/zinc/13/34/74/613133474.db2.gz BFQZHOILVSPCSG-INIZCTEOSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000838144591 613199400 /nfs/dbraw/zinc/19/94/00/613199400.db2.gz JGYZJKQUAMDRGN-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000838144591 613199402 /nfs/dbraw/zinc/19/94/02/613199402.db2.gz JGYZJKQUAMDRGN-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000838144591 613199405 /nfs/dbraw/zinc/19/94/05/613199405.db2.gz JGYZJKQUAMDRGN-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000838144591 613199408 /nfs/dbraw/zinc/19/94/08/613199408.db2.gz JGYZJKQUAMDRGN-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000948052194 613261866 /nfs/dbraw/zinc/26/18/66/613261866.db2.gz BWRDEXHEMRVFID-OCCSQVGLSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000948052194 613261867 /nfs/dbraw/zinc/26/18/67/613261867.db2.gz BWRDEXHEMRVFID-OCCSQVGLSA-N 2 1 274.368 0.794 20 30 CCEDMP C=C(C)C[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982215159 613308265 /nfs/dbraw/zinc/30/82/65/613308265.db2.gz QETUIUVRIDJLKV-UHFFFAOYSA-N 2 1 295.427 0.819 20 30 CCEDMP C=C(C)C[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982215159 613308267 /nfs/dbraw/zinc/30/82/67/613308267.db2.gz QETUIUVRIDJLKV-UHFFFAOYSA-N 2 1 295.427 0.819 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000960277681 613317042 /nfs/dbraw/zinc/31/70/42/613317042.db2.gz FGVQINIOTNYSTC-COMQUAJESA-N 2 1 284.363 0.440 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000960277681 613317044 /nfs/dbraw/zinc/31/70/44/613317044.db2.gz FGVQINIOTNYSTC-COMQUAJESA-N 2 1 284.363 0.440 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000815107780 613324513 /nfs/dbraw/zinc/32/45/13/613324513.db2.gz UGSDCTCXVFVLFC-UHFFFAOYSA-N 2 1 277.412 0.934 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592554 613340625 /nfs/dbraw/zinc/34/06/25/613340625.db2.gz RRHPPSNJCSBWFU-KBPBESRZSA-N 2 1 293.411 0.067 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374789 613340661 /nfs/dbraw/zinc/34/06/61/613340661.db2.gz OHDNBJCMMCAYJN-GJZGRUSLSA-N 2 1 295.427 0.313 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000977902529 613343744 /nfs/dbraw/zinc/34/37/44/613343744.db2.gz BKTYGJLFPRGKEM-XQLPTFJDSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977902529 613343745 /nfs/dbraw/zinc/34/37/45/613343745.db2.gz BKTYGJLFPRGKEM-XQLPTFJDSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977902529 613343746 /nfs/dbraw/zinc/34/37/46/613343746.db2.gz BKTYGJLFPRGKEM-XQLPTFJDSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000968303986 613349009 /nfs/dbraw/zinc/34/90/09/613349009.db2.gz UFAMGLWCGSESIR-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000968303986 613349010 /nfs/dbraw/zinc/34/90/10/613349010.db2.gz UFAMGLWCGSESIR-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000900307617 613364966 /nfs/dbraw/zinc/36/49/66/613364966.db2.gz OLMPAFHMEYMWLK-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000900623797 613365703 /nfs/dbraw/zinc/36/57/03/613365703.db2.gz LOLFVBSPSXWVPE-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827277925 613366179 /nfs/dbraw/zinc/36/61/79/613366179.db2.gz RHMVFGNBXCWOOD-CHWSQXEVSA-N 2 1 251.374 0.657 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000876858654 613389210 /nfs/dbraw/zinc/38/92/10/613389210.db2.gz VSLBQZUILMIEPC-GXSJLCMTSA-N 2 1 263.744 0.616 20 30 CCEDMP C=CCC1(O)CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000886780651 613459285 /nfs/dbraw/zinc/45/92/85/613459285.db2.gz VHRLWEFHTQXINU-UHFFFAOYSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413782 613591026 /nfs/dbraw/zinc/59/10/26/613591026.db2.gz HCKWFAHNALRJOX-FQUUOJAGSA-N 2 1 295.383 0.180 20 30 CCEDMP CC#CC[C@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000895101001 613652770 /nfs/dbraw/zinc/65/27/70/613652770.db2.gz YKNYWTJVRWGCFU-HZPDHXFCSA-N 2 1 280.412 0.994 20 30 CCEDMP CCNC(NC[C@@H]1CC[N@H+]1C1CCOCC1)=[NH+]CC ZINC000899262606 614421023 /nfs/dbraw/zinc/42/10/23/614421023.db2.gz OAIODQVSLYYHIR-ZDUSSCGKSA-N 2 1 268.405 0.815 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834483981 615111987 /nfs/dbraw/zinc/11/19/87/615111987.db2.gz BZLDORMLOGINRD-QJPTWQEYSA-N 2 1 250.346 0.089 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000913524157 615859409 /nfs/dbraw/zinc/85/94/09/615859409.db2.gz BYLKHXNSMFCTDM-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[C@H]21 ZINC000870981002 616322640 /nfs/dbraw/zinc/32/26/40/616322640.db2.gz FDOLUKZCMPRSAC-HZSPNIEDSA-N 2 1 278.400 0.950 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001026045461 625325365 /nfs/dbraw/zinc/32/53/65/625325365.db2.gz ZNEVEAIFFWSJBZ-JWZAGAIZSA-N 2 1 297.830 0.983 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001026045461 625325366 /nfs/dbraw/zinc/32/53/66/625325366.db2.gz ZNEVEAIFFWSJBZ-JWZAGAIZSA-N 2 1 297.830 0.983 20 30 CCEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026045461 625325368 /nfs/dbraw/zinc/32/53/68/625325368.db2.gz ZNEVEAIFFWSJBZ-JWZAGAIZSA-N 2 1 297.830 0.983 20 30 CCEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026045461 625325371 /nfs/dbraw/zinc/32/53/71/625325371.db2.gz ZNEVEAIFFWSJBZ-JWZAGAIZSA-N 2 1 297.830 0.983 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026045558 625325682 /nfs/dbraw/zinc/32/56/82/625325682.db2.gz HWRIWCZLJOMJSD-SEBNEYGDSA-N 2 1 275.396 0.254 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001026045558 625325683 /nfs/dbraw/zinc/32/56/83/625325683.db2.gz HWRIWCZLJOMJSD-SEBNEYGDSA-N 2 1 275.396 0.254 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001026045558 625325684 /nfs/dbraw/zinc/32/56/84/625325684.db2.gz HWRIWCZLJOMJSD-SEBNEYGDSA-N 2 1 275.396 0.254 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]12 ZINC001026283291 625387793 /nfs/dbraw/zinc/38/77/93/625387793.db2.gz FXDLFDDMEFADKJ-VNQPRFMTSA-N 2 1 289.423 0.931 20 30 CCEDMP CCNC(=O)C(C)(C)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000157403624 622971460 /nfs/dbraw/zinc/97/14/60/622971460.db2.gz SNARAURGGCWXFB-GFCCVEGCSA-N 2 1 297.447 0.537 20 30 CCEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023292538 622987252 /nfs/dbraw/zinc/98/72/52/622987252.db2.gz WRLXQZYOKWHDBL-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023292538 622987260 /nfs/dbraw/zinc/98/72/60/622987260.db2.gz WRLXQZYOKWHDBL-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292538 622987268 /nfs/dbraw/zinc/98/72/68/622987268.db2.gz WRLXQZYOKWHDBL-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292538 622987279 /nfs/dbraw/zinc/98/72/79/622987279.db2.gz WRLXQZYOKWHDBL-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001024365535 623300243 /nfs/dbraw/zinc/30/02/43/623300243.db2.gz CEDZGAUZRUAFBO-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001020499961 624497359 /nfs/dbraw/zinc/49/73/59/624497359.db2.gz JLYMXNPARATPFQ-RBSFLKMASA-N 2 1 277.412 0.978 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022121220 624876112 /nfs/dbraw/zinc/87/61/12/624876112.db2.gz AMVCMXUCLYYNIJ-RQJABVFESA-N 2 1 279.384 0.272 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCOC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261926709 631700535 /nfs/dbraw/zinc/70/05/35/631700535.db2.gz JCZQJWAOLLQVOC-RYUDHWBXSA-N 2 1 266.389 0.425 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCOC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000261926709 631700542 /nfs/dbraw/zinc/70/05/42/631700542.db2.gz JCZQJWAOLLQVOC-RYUDHWBXSA-N 2 1 266.389 0.425 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000985494362 632519293 /nfs/dbraw/zinc/51/92/93/632519293.db2.gz DZBISNFKHILQAK-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000986458429 632759998 /nfs/dbraw/zinc/75/99/98/632759998.db2.gz ZYYYLBPKNZKEEV-WCQYABFASA-N 2 1 290.367 0.562 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(OCC)CC1 ZINC000323097197 633386546 /nfs/dbraw/zinc/38/65/46/633386546.db2.gz BBYBULQDBGRYOS-UHFFFAOYSA-N 2 1 253.390 0.947 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(OCC)CC1 ZINC000323097197 633386549 /nfs/dbraw/zinc/38/65/49/633386549.db2.gz BBYBULQDBGRYOS-UHFFFAOYSA-N 2 1 253.390 0.947 20 30 CCEDMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC#CC[NH+](C)C)CC2 ZINC000913522356 636835659 /nfs/dbraw/zinc/83/56/59/636835659.db2.gz FYROEXLIUYXSOQ-CYBMUJFWSA-N 2 1 274.368 0.435 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015291473 637542678 /nfs/dbraw/zinc/54/26/78/637542678.db2.gz UXQZNTUGUDCXSR-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015291473 637542684 /nfs/dbraw/zinc/54/26/84/637542684.db2.gz UXQZNTUGUDCXSR-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995981197 638806538 /nfs/dbraw/zinc/80/65/38/638806538.db2.gz NHERHBAHPHBPBF-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997507216 638873714 /nfs/dbraw/zinc/87/37/14/638873714.db2.gz BWYSBNOEFMGGJI-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014472100 650454744 /nfs/dbraw/zinc/45/47/44/650454744.db2.gz ONHUCHPECXFCNI-ZDUSSCGKSA-N 2 1 291.399 0.435 20 30 CCEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001002138675 639371600 /nfs/dbraw/zinc/37/16/00/639371600.db2.gz LXCVXPBAXJAVRQ-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002138675 639371606 /nfs/dbraw/zinc/37/16/06/639371606.db2.gz LXCVXPBAXJAVRQ-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000923410541 640128534 /nfs/dbraw/zinc/12/85/34/640128534.db2.gz HNYMKBIIHJNNCE-SNPRPXQTSA-N 2 1 289.379 0.825 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015797230 650631865 /nfs/dbraw/zinc/63/18/65/650631865.db2.gz ZZEXXYFAOOXLSR-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001016336422 650719647 /nfs/dbraw/zinc/71/96/47/650719647.db2.gz KTXZIOATSJALTM-HNNXBMFYSA-N 2 1 273.380 0.155 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001016336422 650719648 /nfs/dbraw/zinc/71/96/48/650719648.db2.gz KTXZIOATSJALTM-HNNXBMFYSA-N 2 1 273.380 0.155 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001016930012 650772413 /nfs/dbraw/zinc/77/24/13/650772413.db2.gz HXAYFVWFXMIYTH-CABCVRRESA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016930015 650772418 /nfs/dbraw/zinc/77/24/18/650772418.db2.gz HXAYFVWFXMIYTH-LSDHHAIUSA-N 2 1 289.423 0.932 20 30 CCEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000848424725 643635933 /nfs/dbraw/zinc/63/59/33/643635933.db2.gz GPQUPXBMIVPKRE-NXEZZACHSA-N 2 1 274.315 0.463 20 30 CCEDMP C[C@H](C#N)OCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852762899 643997162 /nfs/dbraw/zinc/99/71/62/643997162.db2.gz ZJFMDGHRLJRSLK-KGLIPLIRSA-N 2 1 269.389 0.958 20 30 CCEDMP C[C@H](C#N)OCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852762899 643997167 /nfs/dbraw/zinc/99/71/67/643997167.db2.gz ZJFMDGHRLJRSLK-KGLIPLIRSA-N 2 1 269.389 0.958 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020178646 651046351 /nfs/dbraw/zinc/04/63/51/651046351.db2.gz AMVCMXUCLYYNIJ-SYQHCUMBSA-N 2 1 279.384 0.272 20 30 CCEDMP C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000886353383 647970299 /nfs/dbraw/zinc/97/02/99/647970299.db2.gz IEQXVTVMSBUKRU-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000886353383 647970309 /nfs/dbraw/zinc/97/03/09/647970309.db2.gz IEQXVTVMSBUKRU-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCOCC1 ZINC000104172473 648204405 /nfs/dbraw/zinc/20/44/05/648204405.db2.gz KOTKZRDSSXNTTO-NSHDSACASA-N 2 1 252.362 0.118 20 30 CCEDMP C[NH+]=C(NCc1nc(C)no1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083093801 649603361 /nfs/dbraw/zinc/60/33/61/649603361.db2.gz WBIPUIHIBBFOKK-SNVBAGLBSA-N 2 1 278.360 0.280 20 30 CCEDMP C[NH+]=C(NCc1nc(C)no1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083093801 649603363 /nfs/dbraw/zinc/60/33/63/649603363.db2.gz WBIPUIHIBBFOKK-SNVBAGLBSA-N 2 1 278.360 0.280 20 30 CCEDMP CNC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303252824 649813437 /nfs/dbraw/zinc/81/34/37/649813437.db2.gz BZQRQNQOVDMICO-UHFFFAOYSA-N 2 1 262.357 0.553 20 30 CCEDMP CCOC(=O)CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303700242 649824122 /nfs/dbraw/zinc/82/41/22/649824122.db2.gz HMMFQIXDNSTXAF-LBPRGKRZSA-N 2 1 284.404 0.718 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOCCOC ZINC000303784621 649825148 /nfs/dbraw/zinc/82/51/48/649825148.db2.gz PMCOGLIXMATJKM-CYBMUJFWSA-N 2 1 286.420 0.428 20 30 CCEDMP C[C@@H](CNC(=[NH2+])N1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000303897946 649826590 /nfs/dbraw/zinc/82/65/90/649826590.db2.gz QWKCUKHDLQGOSF-STQMWFEESA-N 2 1 268.405 0.754 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266322220 790504447 /nfs/dbraw/zinc/50/44/47/790504447.db2.gz COGXIXLVBWVEDT-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266322220 790504453 /nfs/dbraw/zinc/50/44/53/790504453.db2.gz COGXIXLVBWVEDT-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001266411973 790657009 /nfs/dbraw/zinc/65/70/09/790657009.db2.gz JHTGWTDRNRZEGW-KBPBESRZSA-N 2 1 281.375 0.538 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001266411973 790657018 /nfs/dbraw/zinc/65/70/18/790657018.db2.gz JHTGWTDRNRZEGW-KBPBESRZSA-N 2 1 281.375 0.538 20 30 CCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041677426 790828995 /nfs/dbraw/zinc/82/89/95/790828995.db2.gz BXJHRJBHMLCMEK-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041677426 790829010 /nfs/dbraw/zinc/82/90/10/790829010.db2.gz BXJHRJBHMLCMEK-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041677426 790829024 /nfs/dbraw/zinc/82/90/24/790829024.db2.gz BXJHRJBHMLCMEK-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+](CCNC(=O)CCn1ccnc1)C1CC1 ZINC001266604465 791012756 /nfs/dbraw/zinc/01/27/56/791012756.db2.gz GBXLLSNOYMIGKK-UHFFFAOYSA-N 2 1 260.341 0.487 20 30 CCEDMP C#CCN(CCNC(=O)CCn1ccnc1)C1CC1 ZINC001266604465 791012770 /nfs/dbraw/zinc/01/27/70/791012770.db2.gz GBXLLSNOYMIGKK-UHFFFAOYSA-N 2 1 260.341 0.487 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001277783581 806043345 /nfs/dbraw/zinc/04/33/45/806043345.db2.gz WMNHPKHZXDGPPM-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001277783581 806043352 /nfs/dbraw/zinc/04/33/52/806043352.db2.gz WMNHPKHZXDGPPM-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001266992442 791426604 /nfs/dbraw/zinc/42/66/04/791426604.db2.gz BLRBNSFKUXGYCK-OLZOCXBDSA-N 2 1 253.390 0.999 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267242078 793231732 /nfs/dbraw/zinc/23/17/32/793231732.db2.gz VRRMNIMTGJLYRK-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP N#Cc1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)ccc1F ZINC001234982228 806325179 /nfs/dbraw/zinc/32/51/79/806325179.db2.gz NSTUYQFZZINIJT-HNNXBMFYSA-N 2 1 274.343 0.835 20 30 CCEDMP N#Cc1cc(F)ccc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234992351 806337525 /nfs/dbraw/zinc/33/75/25/806337525.db2.gz YUQBGIYXUONGQU-OAHLLOKOSA-N 2 1 274.343 0.835 20 30 CCEDMP N#Cc1ccc(F)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234987869 806333379 /nfs/dbraw/zinc/33/33/79/806333379.db2.gz PMHMKANLBSDTRE-HNNXBMFYSA-N 2 1 274.343 0.835 20 30 CCEDMP C#CC[NH+]1CCC(OC(=O)Cn2c[nH+]cc2C)CC1 ZINC001123247353 799377814 /nfs/dbraw/zinc/37/78/14/799377814.db2.gz KAMDJURIKPSCCQ-UHFFFAOYSA-N 2 1 261.325 0.832 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151122980 800402231 /nfs/dbraw/zinc/40/22/31/800402231.db2.gz XXIVFMZZHXCRPR-UHFFFAOYSA-N 2 1 266.345 0.100 20 30 CCEDMP Cc1nc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)cnc1C#N ZINC001155376442 800960829 /nfs/dbraw/zinc/96/08/29/800960829.db2.gz NBQLUJQHGAXQLD-ZDUSSCGKSA-N 2 1 286.383 0.516 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158337447 801621868 /nfs/dbraw/zinc/62/18/68/801621868.db2.gz NXUKKDQNESYUJE-QWHCGFSZSA-N 2 1 253.390 0.999 20 30 CCEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001159725853 801854148 /nfs/dbraw/zinc/85/41/48/801854148.db2.gz PAKISNBVBFQCRT-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001159725853 801854153 /nfs/dbraw/zinc/85/41/53/801854153.db2.gz PAKISNBVBFQCRT-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159725853 801854160 /nfs/dbraw/zinc/85/41/60/801854160.db2.gz PAKISNBVBFQCRT-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159725853 801854166 /nfs/dbraw/zinc/85/41/66/801854166.db2.gz PAKISNBVBFQCRT-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP N#Cc1c[nH]c2ncnc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)c12 ZINC001160509042 801954111 /nfs/dbraw/zinc/95/41/11/801954111.db2.gz MHCURDSCLXIWJS-OAHLLOKOSA-N 2 1 297.366 0.665 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265318797 809756415 /nfs/dbraw/zinc/75/64/15/809756415.db2.gz DJJAGSUGRKFXES-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265318797 809756417 /nfs/dbraw/zinc/75/64/17/809756417.db2.gz DJJAGSUGRKFXES-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP N#Cc1ccn2ncc(C[N@@H+]3CCC[C@@](O)(C[NH3+])CC3)c2c1 ZINC001205257210 803130965 /nfs/dbraw/zinc/13/09/65/803130965.db2.gz UBKPBRDLXCSOFB-INIZCTEOSA-N 2 1 299.378 0.882 20 30 CCEDMP N#Cc1ccc2nc(C[N@@H+]3CCC[C@@](O)(C[NH3+])CC3)cn2c1 ZINC001205248654 803131773 /nfs/dbraw/zinc/13/17/73/803131773.db2.gz REKNZOCEPCFZAE-INIZCTEOSA-N 2 1 299.378 0.882 20 30 CCEDMP Cn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c2cc(C#N)ccc21 ZINC001205972847 803194566 /nfs/dbraw/zinc/19/45/66/803194566.db2.gz CHAUXIYWSDSAPX-GDBMZVCRSA-N 2 1 284.363 0.944 20 30 CCEDMP Cn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c2cc(C#N)ccc21 ZINC001205972847 803194569 /nfs/dbraw/zinc/19/45/69/803194569.db2.gz CHAUXIYWSDSAPX-GDBMZVCRSA-N 2 1 284.363 0.944 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550723 803418354 /nfs/dbraw/zinc/41/83/54/803418354.db2.gz GZALHDSULAKYJQ-YUELXQCFSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207757753 803447256 /nfs/dbraw/zinc/44/72/56/803447256.db2.gz KVLZTUJEDIAROE-CHWSQXEVSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757753 803447258 /nfs/dbraw/zinc/44/72/58/803447258.db2.gz KVLZTUJEDIAROE-CHWSQXEVSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757753 803447262 /nfs/dbraw/zinc/44/72/62/803447262.db2.gz KVLZTUJEDIAROE-CHWSQXEVSA-N 2 1 265.401 0.786 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070290 803485704 /nfs/dbraw/zinc/48/57/04/803485704.db2.gz IPJDUTYSISTCJQ-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001276596245 803551393 /nfs/dbraw/zinc/55/13/93/803551393.db2.gz WZXSFVXCHTVJHM-GJZGRUSLSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCCC[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001209267977 803585057 /nfs/dbraw/zinc/58/50/57/803585057.db2.gz ZIBYOBBXSWLILQ-UHFFFAOYSA-N 2 1 288.395 0.924 20 30 CCEDMP C#CCCC[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001209267977 803585062 /nfs/dbraw/zinc/58/50/62/803585062.db2.gz ZIBYOBBXSWLILQ-UHFFFAOYSA-N 2 1 288.395 0.924 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211276609 803675309 /nfs/dbraw/zinc/67/53/09/803675309.db2.gz IFBZZFQEZPSMTH-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211282813 803675731 /nfs/dbraw/zinc/67/57/31/803675731.db2.gz CMPAOHNGYKAGCD-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP C[N@@H+](C[C@@H](O)COc1ccccc1C#N)C1CC([NH3+])C1 ZINC000402198831 803817826 /nfs/dbraw/zinc/81/78/26/803817826.db2.gz GJYUHIQTWXLVAW-JXQTWKCFSA-N 2 1 275.352 0.719 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216226183 803837084 /nfs/dbraw/zinc/83/70/84/803837084.db2.gz ONMYKFAOIIOHOH-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001216490787 803839910 /nfs/dbraw/zinc/83/99/10/803839910.db2.gz OWJOLMWPHZBGSJ-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804508 804425645 /nfs/dbraw/zinc/42/56/45/804425645.db2.gz YGRWSLLYWBSVKH-ILXRZTDVSA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276887 804558849 /nfs/dbraw/zinc/55/88/49/804558849.db2.gz MEFCBBZNKFIKIP-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297135 804565506 /nfs/dbraw/zinc/56/55/06/804565506.db2.gz MOKBTOMMPLOJSL-QLFBSQMISA-N 2 1 297.443 0.700 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001225087554 805105670 /nfs/dbraw/zinc/10/56/70/805105670.db2.gz IEACSXYDDALNMT-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001225436159 805128984 /nfs/dbraw/zinc/12/89/84/805128984.db2.gz XCKRFFMHBZKOCM-UHFFFAOYSA-N 2 1 274.368 0.653 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)C(F)(F)F ZINC001246003684 807111905 /nfs/dbraw/zinc/11/19/05/807111905.db2.gz URSQBQQBABDUOU-UWVGGRQHSA-N 2 1 298.305 0.726 20 30 CCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001278437568 807194996 /nfs/dbraw/zinc/19/49/96/807194996.db2.gz FTLIIYKOKMDAEO-ZBFHGGJFSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001278437568 807195002 /nfs/dbraw/zinc/19/50/02/807195002.db2.gz FTLIIYKOKMDAEO-ZBFHGGJFSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001278437568 807195010 /nfs/dbraw/zinc/19/50/10/807195010.db2.gz FTLIIYKOKMDAEO-ZBFHGGJFSA-N 2 1 277.412 0.932 20 30 CCEDMP N#C[C@@H]1C[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CCN1 ZINC001246556976 807285787 /nfs/dbraw/zinc/28/57/87/807285787.db2.gz IWCMKTVPAGDZKT-XQQFMLRXSA-N 2 1 254.353 0.783 20 30 CCEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001278889555 808433695 /nfs/dbraw/zinc/43/36/95/808433695.db2.gz YJWTZNLYUVGFCC-CYBMUJFWSA-N 2 1 271.405 0.264 20 30 CCEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001278889555 808433700 /nfs/dbraw/zinc/43/37/00/808433700.db2.gz YJWTZNLYUVGFCC-CYBMUJFWSA-N 2 1 271.405 0.264 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001278889555 808433705 /nfs/dbraw/zinc/43/37/05/808433705.db2.gz YJWTZNLYUVGFCC-CYBMUJFWSA-N 2 1 271.405 0.264 20 30 CCEDMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001261460199 808985023 /nfs/dbraw/zinc/98/50/23/808985023.db2.gz VLFQVXPDFHQHEA-STQMWFEESA-N 2 1 266.389 0.856 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001263801458 809572826 /nfs/dbraw/zinc/57/28/26/809572826.db2.gz HQFHTMWGZDWJCJ-ZIAGYGMSSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001263801458 809572829 /nfs/dbraw/zinc/57/28/29/809572829.db2.gz HQFHTMWGZDWJCJ-ZIAGYGMSSA-N 2 1 265.401 0.883 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1OCC ZINC001263975778 809614999 /nfs/dbraw/zinc/61/49/99/809614999.db2.gz PPUKLYACEQTVOK-HUUCEWRRSA-N 2 1 297.443 0.966 20 30 CCEDMP CC#CC[N@@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001265030889 809696215 /nfs/dbraw/zinc/69/62/15/809696215.db2.gz NYFZHRUKDSUCDV-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001265230654 809727623 /nfs/dbraw/zinc/72/76/23/809727623.db2.gz JQKLLGQSBMZAIX-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001265230654 809727625 /nfs/dbraw/zinc/72/76/25/809727625.db2.gz JQKLLGQSBMZAIX-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001265230654 809727628 /nfs/dbraw/zinc/72/76/28/809727628.db2.gz JQKLLGQSBMZAIX-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001076574984 815311913 /nfs/dbraw/zinc/31/19/13/815311913.db2.gz UTEIQWLKQPXMJL-UONOGXRCSA-N 2 1 272.352 0.357 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001076574984 815311921 /nfs/dbraw/zinc/31/19/21/815311921.db2.gz UTEIQWLKQPXMJL-UONOGXRCSA-N 2 1 272.352 0.357 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001265470353 809786156 /nfs/dbraw/zinc/78/61/56/809786156.db2.gz FSMYYKXUPVRJOX-AVGNSLFASA-N 2 1 251.374 0.894 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265498989 809792797 /nfs/dbraw/zinc/79/27/97/809792797.db2.gz PNOVBNJUVHDZEQ-HDJSIYSDSA-N 2 1 281.400 0.522 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001265947632 809902863 /nfs/dbraw/zinc/90/28/63/809902863.db2.gz RZKSGHHUKYYLMQ-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001265947632 809902865 /nfs/dbraw/zinc/90/28/65/809902865.db2.gz RZKSGHHUKYYLMQ-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001279403387 809977757 /nfs/dbraw/zinc/97/77/57/809977757.db2.gz NVHBJCBFCORIRU-GASCZTMLSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001279403387 809977759 /nfs/dbraw/zinc/97/77/59/809977759.db2.gz NVHBJCBFCORIRU-GASCZTMLSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001279403387 809977762 /nfs/dbraw/zinc/97/77/62/809977762.db2.gz NVHBJCBFCORIRU-GASCZTMLSA-N 2 1 277.412 0.742 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001267281977 811089952 /nfs/dbraw/zinc/08/99/52/811089952.db2.gz NNVGZMGATZLDLW-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267307230 811127846 /nfs/dbraw/zinc/12/78/46/811127846.db2.gz OMRSXASEWWSOED-KBPBESRZSA-N 2 1 265.401 0.644 20 30 CCEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001267960446 811896602 /nfs/dbraw/zinc/89/66/02/811896602.db2.gz HJXZWJIJJPIBTH-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077395968 815492221 /nfs/dbraw/zinc/49/22/21/815492221.db2.gz HKACGLMEOVPWDA-HUUCEWRRSA-N 2 1 298.346 0.133 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886846 812119324 /nfs/dbraw/zinc/11/93/24/812119324.db2.gz YPKQAKBWELMILV-JKSUJKDBSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001028098445 812276088 /nfs/dbraw/zinc/27/60/88/812276088.db2.gz QPBSPYJIIHWGHP-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001028098445 812276093 /nfs/dbraw/zinc/27/60/93/812276093.db2.gz QPBSPYJIIHWGHP-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001028098445 812276100 /nfs/dbraw/zinc/27/61/00/812276100.db2.gz QPBSPYJIIHWGHP-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593103 815518837 /nfs/dbraw/zinc/51/88/37/815518837.db2.gz DGDQZIPUTBUEHW-KFWWJZLASA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593103 815518840 /nfs/dbraw/zinc/51/88/40/815518840.db2.gz DGDQZIPUTBUEHW-KFWWJZLASA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593103 815518843 /nfs/dbraw/zinc/51/88/43/815518843.db2.gz DGDQZIPUTBUEHW-KFWWJZLASA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593103 815518845 /nfs/dbraw/zinc/51/88/45/815518845.db2.gz DGDQZIPUTBUEHW-KFWWJZLASA-N 2 1 295.427 0.454 20 30 CCEDMP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268476324 812633383 /nfs/dbraw/zinc/63/33/83/812633383.db2.gz WESGXVFXLDGJTR-CQSZACIVSA-N 2 1 288.395 0.825 20 30 CCEDMP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268541467 812782740 /nfs/dbraw/zinc/78/27/40/812782740.db2.gz FBEXQEGVDSCXOU-YOIVVXPQSA-N 2 1 263.385 0.612 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028550489 812829376 /nfs/dbraw/zinc/82/93/76/812829376.db2.gz PUMOQYVYUGXABN-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028550489 812829386 /nfs/dbraw/zinc/82/93/86/812829386.db2.gz PUMOQYVYUGXABN-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028549596 812829684 /nfs/dbraw/zinc/82/96/84/812829684.db2.gz RZGPVXWXWAGQGL-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549596 812829692 /nfs/dbraw/zinc/82/96/92/812829692.db2.gz RZGPVXWXWAGQGL-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549596 812829700 /nfs/dbraw/zinc/82/97/00/812829700.db2.gz RZGPVXWXWAGQGL-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083373138 812916951 /nfs/dbraw/zinc/91/69/51/812916951.db2.gz SYDCHIAAOVCPDO-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083373138 812916955 /nfs/dbraw/zinc/91/69/55/812916955.db2.gz SYDCHIAAOVCPDO-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373138 812916959 /nfs/dbraw/zinc/91/69/59/812916959.db2.gz SYDCHIAAOVCPDO-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373138 812916962 /nfs/dbraw/zinc/91/69/62/812916962.db2.gz SYDCHIAAOVCPDO-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001268647796 812977535 /nfs/dbraw/zinc/97/75/35/812977535.db2.gz HXCLIMBZWWJMMR-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001269745183 813487822 /nfs/dbraw/zinc/48/78/22/813487822.db2.gz MNHVSJBLOKSHCQ-MRXNPFEDSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001269745183 813487828 /nfs/dbraw/zinc/48/78/28/813487828.db2.gz MNHVSJBLOKSHCQ-MRXNPFEDSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001269745183 813487833 /nfs/dbraw/zinc/48/78/33/813487833.db2.gz MNHVSJBLOKSHCQ-MRXNPFEDSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001270624151 813847145 /nfs/dbraw/zinc/84/71/45/813847145.db2.gz OHHNGWSHYWVUEP-HNNXBMFYSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271206788 814333469 /nfs/dbraw/zinc/33/34/69/814333469.db2.gz HTPDEDCSLSGZFD-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271380420 814397829 /nfs/dbraw/zinc/39/78/29/814397829.db2.gz LSSPOOQRMWHFNR-ZDUSSCGKSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001271380420 814397834 /nfs/dbraw/zinc/39/78/34/814397834.db2.gz LSSPOOQRMWHFNR-ZDUSSCGKSA-N 2 1 281.400 0.067 20 30 CCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001271380161 814398040 /nfs/dbraw/zinc/39/80/40/814398040.db2.gz GHUSVTPCJMCHIR-CYBMUJFWSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199491 814444043 /nfs/dbraw/zinc/44/40/43/814444043.db2.gz QFMIYPXIPUKLCN-KFWWJZLASA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199491 814444045 /nfs/dbraw/zinc/44/40/45/814444045.db2.gz QFMIYPXIPUKLCN-KFWWJZLASA-N 2 1 275.396 0.352 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088200905 814445460 /nfs/dbraw/zinc/44/54/60/814445460.db2.gz ATZMZQSTFSOPLA-CVEARBPZSA-N 2 1 289.423 0.886 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001271996230 814670719 /nfs/dbraw/zinc/67/07/19/814670719.db2.gz JWDCGQDOMGLWJL-HOCLYGCPSA-N 2 1 295.427 0.457 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271996230 814670722 /nfs/dbraw/zinc/67/07/22/814670722.db2.gz JWDCGQDOMGLWJL-HOCLYGCPSA-N 2 1 295.427 0.457 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001271996230 814670728 /nfs/dbraw/zinc/67/07/28/814670728.db2.gz JWDCGQDOMGLWJL-HOCLYGCPSA-N 2 1 295.427 0.457 20 30 CCEDMP C#CCCN1CC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001030825832 816321801 /nfs/dbraw/zinc/32/18/01/816321801.db2.gz QCOXCKPIONSOEM-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001272425458 816415139 /nfs/dbraw/zinc/41/51/39/816415139.db2.gz MHKOTICYSSXLHQ-MELADBBJSA-N 2 1 283.416 0.360 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106663108 816842880 /nfs/dbraw/zinc/84/28/80/816842880.db2.gz RQCAQCJWGWYWQB-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009028 817643860 /nfs/dbraw/zinc/64/38/60/817643860.db2.gz IDGPGRPQWQYDJB-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009028 817643865 /nfs/dbraw/zinc/64/38/65/817643865.db2.gz IDGPGRPQWQYDJB-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032981812 818405228 /nfs/dbraw/zinc/40/52/28/818405228.db2.gz UHYKADQRJMNAOS-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032981812 818405232 /nfs/dbraw/zinc/40/52/32/818405232.db2.gz UHYKADQRJMNAOS-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032981812 818405237 /nfs/dbraw/zinc/40/52/37/818405237.db2.gz UHYKADQRJMNAOS-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032981812 818405239 /nfs/dbraw/zinc/40/52/39/818405239.db2.gz UHYKADQRJMNAOS-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033194899 818638215 /nfs/dbraw/zinc/63/82/15/818638215.db2.gz DWYBBYDJWFTJCR-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033194899 818638218 /nfs/dbraw/zinc/63/82/18/818638218.db2.gz DWYBBYDJWFTJCR-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033194899 818638222 /nfs/dbraw/zinc/63/82/22/818638222.db2.gz DWYBBYDJWFTJCR-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033194899 818638226 /nfs/dbraw/zinc/63/82/26/818638226.db2.gz DWYBBYDJWFTJCR-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391298 818758426 /nfs/dbraw/zinc/75/84/26/818758426.db2.gz QZFOIWSNHJNLGJ-CQSZACIVSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033419323 818760466 /nfs/dbraw/zinc/76/04/66/818760466.db2.gz IGUBAHDFBKBIQT-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033419323 818760476 /nfs/dbraw/zinc/76/04/76/818760476.db2.gz IGUBAHDFBKBIQT-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033419323 818760483 /nfs/dbraw/zinc/76/04/83/818760483.db2.gz IGUBAHDFBKBIQT-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033419323 818760491 /nfs/dbraw/zinc/76/04/91/818760491.db2.gz IGUBAHDFBKBIQT-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001033673625 818879986 /nfs/dbraw/zinc/87/99/86/818879986.db2.gz FOEIGIGOURDZNR-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001033673625 818879988 /nfs/dbraw/zinc/87/99/88/818879988.db2.gz FOEIGIGOURDZNR-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033673625 818879996 /nfs/dbraw/zinc/87/99/96/818879996.db2.gz FOEIGIGOURDZNR-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033673625 818880005 /nfs/dbraw/zinc/88/00/05/818880005.db2.gz FOEIGIGOURDZNR-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCF)C2)CC1 ZINC001033688870 818890368 /nfs/dbraw/zinc/89/03/68/818890368.db2.gz UPYJUZLWIGVKNG-HNNXBMFYSA-N 2 1 295.402 0.834 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001033688870 818890371 /nfs/dbraw/zinc/89/03/71/818890371.db2.gz UPYJUZLWIGVKNG-HNNXBMFYSA-N 2 1 295.402 0.834 20 30 CCEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034526365 819228145 /nfs/dbraw/zinc/22/81/45/819228145.db2.gz XMMWGDNZAMLSFA-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034526365 819228151 /nfs/dbraw/zinc/22/81/51/819228151.db2.gz XMMWGDNZAMLSFA-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034526365 819228157 /nfs/dbraw/zinc/22/81/57/819228157.db2.gz XMMWGDNZAMLSFA-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCC1 ZINC001273180538 820081422 /nfs/dbraw/zinc/08/14/22/820081422.db2.gz RMZUTCVEVYFMDH-UHFFFAOYSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001082705451 821025098 /nfs/dbraw/zinc/02/50/98/821025098.db2.gz DUUOAYGIIISKND-CBBWQLFWSA-N 2 1 277.412 0.786 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090393965 821093962 /nfs/dbraw/zinc/09/39/62/821093962.db2.gz SAQPKYOLOLIINC-KBPBESRZSA-N 2 1 293.411 0.352 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084775935 821388443 /nfs/dbraw/zinc/38/84/43/821388443.db2.gz ZLWWAXJJCCYTSP-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001084866016 821414638 /nfs/dbraw/zinc/41/46/38/821414638.db2.gz OTEXKKVETSNMOL-CHWSQXEVSA-N 2 1 258.325 0.049 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001084866016 821414641 /nfs/dbraw/zinc/41/46/41/821414641.db2.gz OTEXKKVETSNMOL-CHWSQXEVSA-N 2 1 258.325 0.049 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085032346 821467284 /nfs/dbraw/zinc/46/72/84/821467284.db2.gz CGCKUGGHRSZFKT-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085032346 821467288 /nfs/dbraw/zinc/46/72/88/821467288.db2.gz CGCKUGGHRSZFKT-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085032346 821467291 /nfs/dbraw/zinc/46/72/91/821467291.db2.gz CGCKUGGHRSZFKT-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531015 821771410 /nfs/dbraw/zinc/77/14/10/821771410.db2.gz KODGAGKNNSGFDP-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531015 821771416 /nfs/dbraw/zinc/77/14/16/821771416.db2.gz KODGAGKNNSGFDP-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531015 821771420 /nfs/dbraw/zinc/77/14/20/821771420.db2.gz KODGAGKNNSGFDP-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531015 821771425 /nfs/dbraw/zinc/77/14/25/821771425.db2.gz KODGAGKNNSGFDP-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC=C ZINC001085647031 821875920 /nfs/dbraw/zinc/87/59/20/821875920.db2.gz ACCMJLQQKNVGQU-CABCVRRESA-N 2 1 275.396 0.803 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC=C ZINC001085647031 821875928 /nfs/dbraw/zinc/87/59/28/821875928.db2.gz ACCMJLQQKNVGQU-CABCVRRESA-N 2 1 275.396 0.803 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085670765 821892373 /nfs/dbraw/zinc/89/23/73/821892373.db2.gz DVNAZGKDRLRBAL-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085670765 821892380 /nfs/dbraw/zinc/89/23/80/821892380.db2.gz DVNAZGKDRLRBAL-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085670765 821892388 /nfs/dbraw/zinc/89/23/88/821892388.db2.gz DVNAZGKDRLRBAL-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085670765 821892398 /nfs/dbraw/zinc/89/23/98/821892398.db2.gz DVNAZGKDRLRBAL-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C=CCN1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001108213598 821983029 /nfs/dbraw/zinc/98/30/29/821983029.db2.gz PJNJHKOXUWAUFA-ZBFHGGJFSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCN1CCO[C@@](C)(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001108213598 821983040 /nfs/dbraw/zinc/98/30/40/821983040.db2.gz PJNJHKOXUWAUFA-ZBFHGGJFSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927252 822019669 /nfs/dbraw/zinc/01/96/69/822019669.db2.gz SBHNTAQHKBPFAR-ZDUSSCGKSA-N 2 1 263.385 0.801 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927252 822019679 /nfs/dbraw/zinc/01/96/79/822019679.db2.gz SBHNTAQHKBPFAR-ZDUSSCGKSA-N 2 1 263.385 0.801 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085982491 822054347 /nfs/dbraw/zinc/05/43/47/822054347.db2.gz LYZUZEDNACCZOJ-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085982491 822054355 /nfs/dbraw/zinc/05/43/55/822054355.db2.gz LYZUZEDNACCZOJ-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085982491 822054362 /nfs/dbraw/zinc/05/43/62/822054362.db2.gz LYZUZEDNACCZOJ-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085982491 822054370 /nfs/dbraw/zinc/05/43/70/822054370.db2.gz LYZUZEDNACCZOJ-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001086402314 822239467 /nfs/dbraw/zinc/23/94/67/822239467.db2.gz PMYIJTILSVUAFJ-MGPQQGTHSA-N 2 1 263.385 0.588 20 30 CCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144440 822323555 /nfs/dbraw/zinc/32/35/55/822323555.db2.gz CJTGTBYUDXRCBW-LLVKDONJSA-N 2 1 275.780 0.165 20 30 CCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144440 822323567 /nfs/dbraw/zinc/32/35/67/822323567.db2.gz CJTGTBYUDXRCBW-LLVKDONJSA-N 2 1 275.780 0.165 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](CC)OC ZINC001129771278 837558722 /nfs/dbraw/zinc/55/87/22/837558722.db2.gz UTKHCIHFNOAYGT-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](CC)OC ZINC001129771278 837558729 /nfs/dbraw/zinc/55/87/29/837558729.db2.gz UTKHCIHFNOAYGT-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCCCOC ZINC001129771503 837559219 /nfs/dbraw/zinc/55/92/19/837559219.db2.gz ZMXUUTBKKZXCLD-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCCCOC ZINC001129771503 837559228 /nfs/dbraw/zinc/55/92/28/837559228.db2.gz ZMXUUTBKKZXCLD-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130710745 837898419 /nfs/dbraw/zinc/89/84/19/837898419.db2.gz CPAPGRHSSRANFB-CQSZACIVSA-N 2 1 265.401 0.836 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130709157 837899034 /nfs/dbraw/zinc/89/90/34/837899034.db2.gz VTMFMOHHOLYOSY-CQSZACIVSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266314 838348499 /nfs/dbraw/zinc/34/84/99/838348499.db2.gz WPAYUGLTXNUTAA-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266314 838348507 /nfs/dbraw/zinc/34/85/07/838348507.db2.gz WPAYUGLTXNUTAA-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185136531 844349016 /nfs/dbraw/zinc/34/90/16/844349016.db2.gz GWHDTDMOXXASNC-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185136531 844349028 /nfs/dbraw/zinc/34/90/28/844349028.db2.gz GWHDTDMOXXASNC-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185136839 844349162 /nfs/dbraw/zinc/34/91/62/844349162.db2.gz MVZCKHAHMHNKBP-CABCVRRESA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185136839 844349174 /nfs/dbraw/zinc/34/91/74/844349174.db2.gz MVZCKHAHMHNKBP-CABCVRRESA-N 2 1 293.411 0.309 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102865 839162455 /nfs/dbraw/zinc/16/24/55/839162455.db2.gz PMILORVGOXYNRL-HUUCEWRRSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135882673 839455638 /nfs/dbraw/zinc/45/56/38/839455638.db2.gz QXKJJEQLYVABPM-OLZOCXBDSA-N 2 1 253.390 0.834 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650899 844441945 /nfs/dbraw/zinc/44/19/45/844441945.db2.gz QGAHLMULEKVJQG-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731657 839759634 /nfs/dbraw/zinc/75/96/34/839759634.db2.gz UMSBXRKGLFCZMD-UONOGXRCSA-N 2 1 293.411 0.210 20 30 CCEDMP C=CCOC1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246304936 839780042 /nfs/dbraw/zinc/78/00/42/839780042.db2.gz IWJZNBMFHRYRIK-GFJIZPEISA-N 2 1 254.374 0.670 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090817223 839826851 /nfs/dbraw/zinc/82/68/51/839826851.db2.gz SBLLUMLJXUNAPF-ZIAGYGMSSA-N 2 1 281.400 0.210 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090809503 839828314 /nfs/dbraw/zinc/82/83/14/839828314.db2.gz UIOJRWZKYZQPKS-KBPBESRZSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090809503 839828320 /nfs/dbraw/zinc/82/83/20/839828320.db2.gz UIOJRWZKYZQPKS-KBPBESRZSA-N 2 1 292.383 0.319 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC=C)C1 ZINC001091075775 840035745 /nfs/dbraw/zinc/03/57/45/840035745.db2.gz YNKKCXPELMZMJH-NRXISQOPSA-N 2 1 275.396 0.754 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC=C)C1 ZINC001091075775 840035754 /nfs/dbraw/zinc/03/57/54/840035754.db2.gz YNKKCXPELMZMJH-NRXISQOPSA-N 2 1 275.396 0.754 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879753 840324596 /nfs/dbraw/zinc/32/45/96/840324596.db2.gz OYOCCXMHKAKXAC-GJZGRUSLSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879753 840324601 /nfs/dbraw/zinc/32/46/01/840324601.db2.gz OYOCCXMHKAKXAC-GJZGRUSLSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879753 840324617 /nfs/dbraw/zinc/32/46/17/840324617.db2.gz OYOCCXMHKAKXAC-GJZGRUSLSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611230 841048000 /nfs/dbraw/zinc/04/80/00/841048000.db2.gz NUJZRSNXHRNLRO-FVQBIDKESA-N 2 1 289.423 0.646 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896368 841663998 /nfs/dbraw/zinc/66/39/98/841663998.db2.gz NWIILBRLXPXMIG-GJZGRUSLSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896368 841664000 /nfs/dbraw/zinc/66/40/00/841664000.db2.gz NWIILBRLXPXMIG-GJZGRUSLSA-N 2 1 286.379 0.748 20 30 CCEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC#CCOC ZINC001171725189 841753280 /nfs/dbraw/zinc/75/32/80/841753280.db2.gz HQOSGBRZEYAUFJ-UHFFFAOYSA-N 2 1 283.416 0.464 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001176855530 842448329 /nfs/dbraw/zinc/44/83/29/842448329.db2.gz BJPHEXUTTJJKTK-OKILXGFUSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179538643 843018099 /nfs/dbraw/zinc/01/80/99/843018099.db2.gz FDGSNOUKLXLXQS-ILXRZTDVSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181672689 843573659 /nfs/dbraw/zinc/57/36/59/843573659.db2.gz AVTRQNSESQOZIN-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001183353794 844004910 /nfs/dbraw/zinc/00/49/10/844004910.db2.gz APEQYAXCILMXQO-KGLIPLIRSA-N 2 1 281.375 0.634 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001183353794 844004918 /nfs/dbraw/zinc/00/49/18/844004918.db2.gz APEQYAXCILMXQO-KGLIPLIRSA-N 2 1 281.375 0.634 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001187982541 844813354 /nfs/dbraw/zinc/81/33/54/844813354.db2.gz MGECOVWVEXTYMD-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001187982541 844813360 /nfs/dbraw/zinc/81/33/60/844813360.db2.gz MGECOVWVEXTYMD-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190666923 845447354 /nfs/dbraw/zinc/44/73/54/845447354.db2.gz PTWRLMBEIZIJIQ-CABCVRRESA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192005601 845770196 /nfs/dbraw/zinc/77/01/96/845770196.db2.gz CCIRDIWKAGYHPY-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169575 845796739 /nfs/dbraw/zinc/79/67/39/845796739.db2.gz AJFWXZRLGAQVRA-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001194126557 846217310 /nfs/dbraw/zinc/21/73/10/846217310.db2.gz DCKRAWDNGXGZJT-QLFBSQMISA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001194126557 846217315 /nfs/dbraw/zinc/21/73/15/846217315.db2.gz DCKRAWDNGXGZJT-QLFBSQMISA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001194126557 846217320 /nfs/dbraw/zinc/21/73/20/846217320.db2.gz DCKRAWDNGXGZJT-QLFBSQMISA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001194126557 846217331 /nfs/dbraw/zinc/21/73/31/846217331.db2.gz DCKRAWDNGXGZJT-QLFBSQMISA-N 2 1 295.427 0.598 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194154690 846224210 /nfs/dbraw/zinc/22/42/10/846224210.db2.gz MRLPKLLLUNPGCN-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001194154690 846224217 /nfs/dbraw/zinc/22/42/17/846224217.db2.gz MRLPKLLLUNPGCN-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001194154690 846224223 /nfs/dbraw/zinc/22/42/23/846224223.db2.gz MRLPKLLLUNPGCN-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194154690 846224229 /nfs/dbraw/zinc/22/42/29/846224229.db2.gz MRLPKLLLUNPGCN-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194154690 846224233 /nfs/dbraw/zinc/22/42/33/846224233.db2.gz MRLPKLLLUNPGCN-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676766 846596587 /nfs/dbraw/zinc/59/65/87/846596587.db2.gz KBDBFRYOUWVORV-ZIAGYGMSSA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195981052 846656442 /nfs/dbraw/zinc/65/64/42/846656442.db2.gz MOKBTOMMPLOJSL-RBSFLKMASA-N 2 1 297.443 0.700 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197058049 846835214 /nfs/dbraw/zinc/83/52/14/846835214.db2.gz LPSPUFNAMVORIR-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197941292 847006701 /nfs/dbraw/zinc/00/67/01/847006701.db2.gz IZIRXLIZWHTEKD-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197941292 847006710 /nfs/dbraw/zinc/00/67/10/847006710.db2.gz IZIRXLIZWHTEKD-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199788467 847432974 /nfs/dbraw/zinc/43/29/74/847432974.db2.gz QWVNUPWIFBRQBN-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200122094 847552233 /nfs/dbraw/zinc/55/22/33/847552233.db2.gz BFLWFEMVNQBUSY-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CCOC[C@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001252469906 847975765 /nfs/dbraw/zinc/97/57/65/847975765.db2.gz DPOKYXDYMLPNDH-MRXNPFEDSA-N 2 1 297.443 0.263 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114413892 848052836 /nfs/dbraw/zinc/05/28/36/848052836.db2.gz IMHWKDHFJHWFOQ-FOLVSLTJSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114413892 848052841 /nfs/dbraw/zinc/05/28/41/848052841.db2.gz IMHWKDHFJHWFOQ-FOLVSLTJSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114413892 848052851 /nfs/dbraw/zinc/05/28/51/848052851.db2.gz IMHWKDHFJHWFOQ-FOLVSLTJSA-N 2 1 275.396 0.540 20 30 CCEDMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](CCC#N)C2)C1=O ZINC001274031395 848312660 /nfs/dbraw/zinc/31/26/60/848312660.db2.gz PILHNTOYZHDHEO-CQSZACIVSA-N 2 1 264.373 0.386 20 30 CCEDMP C#CC[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001274105175 848350067 /nfs/dbraw/zinc/35/00/67/848350067.db2.gz HEFBKANZQJNDJN-ZRUQZJFASA-N 2 1 263.385 0.756 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001274741098 848557842 /nfs/dbraw/zinc/55/78/42/848557842.db2.gz KUZGUHKLZVOEOK-QWHCGFSZSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001095424421 848906317 /nfs/dbraw/zinc/90/63/17/848906317.db2.gz QIAOKCQTSLZJRA-UGUYLWEFSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001095424421 848906319 /nfs/dbraw/zinc/90/63/19/848906319.db2.gz QIAOKCQTSLZJRA-UGUYLWEFSA-N 2 1 287.407 0.683 20 30 CCEDMP COCC#CC[NH2+]CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001276128964 848934863 /nfs/dbraw/zinc/93/48/63/848934863.db2.gz VMDXCWAMHUQARD-UHFFFAOYSA-N 2 1 292.383 0.279 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959481 849033441 /nfs/dbraw/zinc/03/34/41/849033441.db2.gz MYWKSFWOXPHAGH-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039041707 850132831 /nfs/dbraw/zinc/13/28/31/850132831.db2.gz AINISOXDFJTDHL-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039041707 850132833 /nfs/dbraw/zinc/13/28/33/850132833.db2.gz AINISOXDFJTDHL-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039041707 850132837 /nfs/dbraw/zinc/13/28/37/850132837.db2.gz AINISOXDFJTDHL-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039041707 850132841 /nfs/dbraw/zinc/13/28/41/850132841.db2.gz AINISOXDFJTDHL-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314996 850614091 /nfs/dbraw/zinc/61/40/91/850614091.db2.gz YBQJVTGUSNRZOA-GJZGRUSLSA-N 2 1 287.407 0.638 20 30 CCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001045644152 851292158 /nfs/dbraw/zinc/29/21/58/851292158.db2.gz GHBTUIZRSYXXBY-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001045644152 851292170 /nfs/dbraw/zinc/29/21/70/851292170.db2.gz GHBTUIZRSYXXBY-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC)C2)CC1 ZINC001046849198 851629971 /nfs/dbraw/zinc/62/99/71/851629971.db2.gz CHRVYHPHYCFIAD-INIZCTEOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001046849208 851630859 /nfs/dbraw/zinc/63/08/59/851630859.db2.gz CKLMPGOXOCYPHQ-KRWDZBQOSA-N 2 1 287.407 0.545 20 30 CCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001047528618 851805337 /nfs/dbraw/zinc/80/53/37/851805337.db2.gz URNOUOPHOJNMGY-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001047528618 851805344 /nfs/dbraw/zinc/80/53/44/851805344.db2.gz URNOUOPHOJNMGY-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001047528618 851805350 /nfs/dbraw/zinc/80/53/50/851805350.db2.gz URNOUOPHOJNMGY-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048740109 852042588 /nfs/dbraw/zinc/04/25/88/852042588.db2.gz RYNPLFBXGIFXCG-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048740109 852042592 /nfs/dbraw/zinc/04/25/92/852042592.db2.gz RYNPLFBXGIFXCG-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048740109 852042597 /nfs/dbraw/zinc/04/25/97/852042597.db2.gz RYNPLFBXGIFXCG-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740109 852042601 /nfs/dbraw/zinc/04/26/01/852042601.db2.gz RYNPLFBXGIFXCG-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740109 852042602 /nfs/dbraw/zinc/04/26/02/852042602.db2.gz RYNPLFBXGIFXCG-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001049067205 852155397 /nfs/dbraw/zinc/15/53/97/852155397.db2.gz SBEZNZLTQHEPCJ-ZNMIVQPWSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001049369481 852243799 /nfs/dbraw/zinc/24/37/99/852243799.db2.gz OXMQSTRJAKQSBK-ZNMIVQPWSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001049369481 852243804 /nfs/dbraw/zinc/24/38/04/852243804.db2.gz OXMQSTRJAKQSBK-ZNMIVQPWSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001049369481 852243810 /nfs/dbraw/zinc/24/38/10/852243810.db2.gz OXMQSTRJAKQSBK-ZNMIVQPWSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001049994684 852417612 /nfs/dbraw/zinc/41/76/12/852417612.db2.gz VDUFBEQYPQNPPG-RRFJBIMHSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]C(C)C)C1 ZINC001051659996 853618028 /nfs/dbraw/zinc/61/80/28/853618028.db2.gz IPASUVJBWAYGIA-CABCVRRESA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]C(C)C)C1 ZINC001051659996 853618043 /nfs/dbraw/zinc/61/80/43/853618043.db2.gz IPASUVJBWAYGIA-CABCVRRESA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C2)C1 ZINC001072822461 854471638 /nfs/dbraw/zinc/47/16/38/854471638.db2.gz HTVRRGQJXNRUNU-INIZCTEOSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C2)C1 ZINC001072822461 854471639 /nfs/dbraw/zinc/47/16/39/854471639.db2.gz HTVRRGQJXNRUNU-INIZCTEOSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC#C)C2)C1 ZINC001072822461 854471641 /nfs/dbraw/zinc/47/16/41/854471641.db2.gz HTVRRGQJXNRUNU-INIZCTEOSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC#C)C2)C1 ZINC001072822461 854471643 /nfs/dbraw/zinc/47/16/43/854471643.db2.gz HTVRRGQJXNRUNU-INIZCTEOSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001099029794 854908260 /nfs/dbraw/zinc/90/82/60/854908260.db2.gz MSLYKGPGUPKDTI-VYDXJSESSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001099029794 854908249 /nfs/dbraw/zinc/90/82/49/854908249.db2.gz MSLYKGPGUPKDTI-VYDXJSESSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001099029794 854908254 /nfs/dbraw/zinc/90/82/54/854908254.db2.gz MSLYKGPGUPKDTI-VYDXJSESSA-N 2 1 289.423 0.932 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100047834 855084390 /nfs/dbraw/zinc/08/43/90/855084390.db2.gz BMXJCWMLCKQHDU-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100048171 855084696 /nfs/dbraw/zinc/08/46/96/855084696.db2.gz GYBDKSNMKFKQGV-STQMWFEESA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100126822 855103834 /nfs/dbraw/zinc/10/38/34/855103834.db2.gz NMGKQIRLZXQBBG-CABCVRRESA-N 2 1 295.427 0.600 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001100509648 855180262 /nfs/dbraw/zinc/18/02/62/855180262.db2.gz QXKZNGQOKKHACT-UHFFFAOYSA-N 2 1 262.357 0.862 20 30 CCEDMP CC[N@H+]1CCC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC001118507324 856323299 /nfs/dbraw/zinc/32/32/99/856323299.db2.gz WNHMPNCGSIBABK-HNNXBMFYSA-N 2 1 277.412 0.838 20 30 CCEDMP C#CC[N@@H+](C[C@@H](O)CC)C1CCN(C[C@@H](O)CC)CC1 ZINC001119267377 856605444 /nfs/dbraw/zinc/60/54/44/856605444.db2.gz XXPSESPDWQDFNZ-HOTGVXAUSA-N 2 1 282.428 0.928 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120129635 856992537 /nfs/dbraw/zinc/99/25/37/856992537.db2.gz LHYJCHHNMCOLTB-AWEZNQCLSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001323354383 912289518 /nfs/dbraw/zinc/28/95/18/912289518.db2.gz ADTAQICRKOHCAB-CYBMUJFWSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001323354383 912289533 /nfs/dbraw/zinc/28/95/33/912289533.db2.gz ADTAQICRKOHCAB-CYBMUJFWSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001323354383 912289551 /nfs/dbraw/zinc/28/95/51/912289551.db2.gz ADTAQICRKOHCAB-CYBMUJFWSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001323354383 912289568 /nfs/dbraw/zinc/28/95/68/912289568.db2.gz ADTAQICRKOHCAB-CYBMUJFWSA-N 2 1 251.374 0.540 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001496232292 892019480 /nfs/dbraw/zinc/01/94/80/892019480.db2.gz HJEYWTYKKDGUQO-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001496232292 892019493 /nfs/dbraw/zinc/01/94/93/892019493.db2.gz HJEYWTYKKDGUQO-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCCO)C1CC1 ZINC001481172841 892270776 /nfs/dbraw/zinc/27/07/76/892270776.db2.gz JGWKDEKFFHVJBE-HNNXBMFYSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCCO)C1CC1 ZINC001481172841 892270791 /nfs/dbraw/zinc/27/07/91/892270791.db2.gz JGWKDEKFFHVJBE-HNNXBMFYSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCCO)C1CC1 ZINC001481172841 892270799 /nfs/dbraw/zinc/27/07/99/892270799.db2.gz JGWKDEKFFHVJBE-HNNXBMFYSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCCO)C1CC1 ZINC001481172841 892270814 /nfs/dbraw/zinc/27/08/14/892270814.db2.gz JGWKDEKFFHVJBE-HNNXBMFYSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CCC[NH2+]CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001481318112 892572617 /nfs/dbraw/zinc/57/26/17/892572617.db2.gz SBUPNUVWWROKGA-OKILXGFUSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001481738674 893105831 /nfs/dbraw/zinc/10/58/31/893105831.db2.gz NVLATPWCENVPAA-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001481749977 893113206 /nfs/dbraw/zinc/11/32/06/893113206.db2.gz YIZPPGWZAQQESF-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001481749977 893113215 /nfs/dbraw/zinc/11/32/15/893113215.db2.gz YIZPPGWZAQQESF-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001481749977 893113223 /nfs/dbraw/zinc/11/32/23/893113223.db2.gz YIZPPGWZAQQESF-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482137209 893431166 /nfs/dbraw/zinc/43/11/66/893431166.db2.gz UZEQKLVIANDQRT-RDBSUJKOSA-N 2 1 265.401 0.692 20 30 CCEDMP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482284317 893770857 /nfs/dbraw/zinc/77/08/57/893770857.db2.gz MUTLUGBWMGSLGS-UONOGXRCSA-N 2 1 265.401 0.929 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001482744695 894560936 /nfs/dbraw/zinc/56/09/36/894560936.db2.gz AKFTXFUADPRSFS-KGLIPLIRSA-N 2 1 283.416 0.360 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001483175980 895061007 /nfs/dbraw/zinc/06/10/07/895061007.db2.gz YFXQKPWZXKJQNT-QWHCGFSZSA-N 2 1 292.383 0.332 20 30 CCEDMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001484155494 896211514 /nfs/dbraw/zinc/21/15/14/896211514.db2.gz VMZRBHWJSHXPOJ-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001484155494 896211529 /nfs/dbraw/zinc/21/15/29/896211529.db2.gz VMZRBHWJSHXPOJ-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001484155494 896211543 /nfs/dbraw/zinc/21/15/43/896211543.db2.gz VMZRBHWJSHXPOJ-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001484155494 896211552 /nfs/dbraw/zinc/21/15/52/896211552.db2.gz VMZRBHWJSHXPOJ-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001484482009 896433094 /nfs/dbraw/zinc/43/30/94/896433094.db2.gz DHMRFZNMUYNDIN-OAHLLOKOSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001485372317 897015831 /nfs/dbraw/zinc/01/58/31/897015831.db2.gz SZVAFCOFLKMLNY-AWEZNQCLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001485703129 897195276 /nfs/dbraw/zinc/19/52/76/897195276.db2.gz QFSORNNLWNVYIO-HDJSIYSDSA-N 2 1 265.401 0.836 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001326760674 914146635 /nfs/dbraw/zinc/14/66/35/914146635.db2.gz IEMAKLDZXSEIAB-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001032400597 897449972 /nfs/dbraw/zinc/44/99/72/897449972.db2.gz OGAFAAMYWTUINS-SOUVJXGZSA-N 2 1 275.396 0.778 20 30 CCEDMP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001032410260 897493410 /nfs/dbraw/zinc/49/34/10/897493410.db2.gz ALZJKNGNEQTRPS-ZOBORPQBSA-N 2 1 263.385 0.798 20 30 CCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001032410260 897493417 /nfs/dbraw/zinc/49/34/17/897493417.db2.gz ALZJKNGNEQTRPS-ZOBORPQBSA-N 2 1 263.385 0.798 20 30 CCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001032410260 897493422 /nfs/dbraw/zinc/49/34/22/897493422.db2.gz ALZJKNGNEQTRPS-ZOBORPQBSA-N 2 1 263.385 0.798 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001032410260 897493429 /nfs/dbraw/zinc/49/34/29/897493429.db2.gz ALZJKNGNEQTRPS-ZOBORPQBSA-N 2 1 263.385 0.798 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001032410260 897493435 /nfs/dbraw/zinc/49/34/35/897493435.db2.gz ALZJKNGNEQTRPS-ZOBORPQBSA-N 2 1 263.385 0.798 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001032628344 897844365 /nfs/dbraw/zinc/84/43/65/897844365.db2.gz WQOVYQJQGTZMLT-ILXRZTDVSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001032628344 897844369 /nfs/dbraw/zinc/84/43/69/897844369.db2.gz WQOVYQJQGTZMLT-ILXRZTDVSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001032628344 897844375 /nfs/dbraw/zinc/84/43/75/897844375.db2.gz WQOVYQJQGTZMLT-ILXRZTDVSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001032628344 897844384 /nfs/dbraw/zinc/84/43/84/897844384.db2.gz WQOVYQJQGTZMLT-ILXRZTDVSA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001486094943 898652371 /nfs/dbraw/zinc/65/23/71/898652371.db2.gz FMIQCPBOYWAJRJ-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001486388978 898850166 /nfs/dbraw/zinc/85/01/66/898850166.db2.gz HBYPGFLUZCDJBX-OLZOCXBDSA-N 2 1 265.401 0.834 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390204 900010901 /nfs/dbraw/zinc/01/09/01/900010901.db2.gz PBTKPHQBTWBEGL-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189390204 900010912 /nfs/dbraw/zinc/01/09/12/900010912.db2.gz PBTKPHQBTWBEGL-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189390204 900010923 /nfs/dbraw/zinc/01/09/23/900010923.db2.gz PBTKPHQBTWBEGL-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390203 900011083 /nfs/dbraw/zinc/01/10/83/900011083.db2.gz PBTKPHQBTWBEGL-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189390203 900011094 /nfs/dbraw/zinc/01/10/94/900011094.db2.gz PBTKPHQBTWBEGL-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189390203 900011105 /nfs/dbraw/zinc/01/11/05/900011105.db2.gz PBTKPHQBTWBEGL-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001491370726 903512547 /nfs/dbraw/zinc/51/25/47/903512547.db2.gz XVWJLFREEPYWKO-NFOMZHRRSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001491566386 904009925 /nfs/dbraw/zinc/00/99/25/904009925.db2.gz SGOXMYICCSTQQZ-OCCSQVGLSA-N 2 1 288.395 0.872 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001316617499 904420809 /nfs/dbraw/zinc/42/08/09/904420809.db2.gz JMSLOEMXBYKWPV-QLFBSQMISA-N 2 1 277.412 0.978 20 30 CCEDMP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001282927225 904606313 /nfs/dbraw/zinc/60/63/13/904606313.db2.gz DQANTMICQKBBHI-JSGCOSHPSA-N 2 1 292.383 0.583 20 30 CCEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001283632020 904938978 /nfs/dbraw/zinc/93/89/78/904938978.db2.gz NAEBIHBMKUSIRR-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001327924000 914870070 /nfs/dbraw/zinc/87/00/70/914870070.db2.gz NFUYGOBLFBHJJV-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C[NH+](CC)C2CC2)CC1 ZINC001293715692 906509507 /nfs/dbraw/zinc/50/95/07/906509507.db2.gz JPSZBYMIIYIVAC-UHFFFAOYSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@@H+](CC)C2CC2)CC1 ZINC001293715692 906509491 /nfs/dbraw/zinc/50/94/91/906509491.db2.gz JPSZBYMIIYIVAC-UHFFFAOYSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@H+](CC)C2CC2)CC1 ZINC001293715692 906509500 /nfs/dbraw/zinc/50/95/00/906509500.db2.gz JPSZBYMIIYIVAC-UHFFFAOYSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C[NH+](CC)C2CC2)CC1 ZINC001293715692 906509518 /nfs/dbraw/zinc/50/95/18/906509518.db2.gz JPSZBYMIIYIVAC-UHFFFAOYSA-N 2 1 263.385 0.638 20 30 CCEDMP C=C(C)C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001491612040 907444981 /nfs/dbraw/zinc/44/49/81/907444981.db2.gz SDIOLRJHNOEKJE-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001491764087 907554431 /nfs/dbraw/zinc/55/44/31/907554431.db2.gz GVMRTBOCWMOALS-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001491845899 907605051 /nfs/dbraw/zinc/60/50/51/907605051.db2.gz QCPQSOBXPAUSOU-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001491849603 907605586 /nfs/dbraw/zinc/60/55/86/907605586.db2.gz JACPREOIKFRBAM-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001492291318 907856420 /nfs/dbraw/zinc/85/64/20/907856420.db2.gz LKDAZLKBBPLMGV-ZDUSSCGKSA-N 2 1 253.390 0.644 20 30 CCEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001318949190 909935196 /nfs/dbraw/zinc/93/51/96/909935196.db2.gz XFZCOVUPDDPCCI-RBSFLKMASA-N 2 1 293.411 0.357 20 30 CCEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001318949190 909935204 /nfs/dbraw/zinc/93/52/04/909935204.db2.gz XFZCOVUPDDPCCI-RBSFLKMASA-N 2 1 293.411 0.357 20 30 CCEDMP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001319167342 910016587 /nfs/dbraw/zinc/01/65/87/910016587.db2.gz KUBHFVUYJMNMFK-OLZOCXBDSA-N 2 1 253.390 0.999 20 30 CCEDMP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C ZINC001320770151 910858288 /nfs/dbraw/zinc/85/82/88/910858288.db2.gz WCLNLXWHRMQVJY-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001321057792 911056587 /nfs/dbraw/zinc/05/65/87/911056587.db2.gz SLSQNCGTDBNSRN-GJBLVYBDSA-N 2 1 263.385 0.754 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001321652549 911423227 /nfs/dbraw/zinc/42/32/27/911423227.db2.gz MNWFMQIEOXFBEN-OCCSQVGLSA-N 2 1 288.395 0.872 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)COC ZINC001322548652 911853882 /nfs/dbraw/zinc/85/38/82/911853882.db2.gz FBDKQKXSECEDJE-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)COC ZINC001322548652 911853895 /nfs/dbraw/zinc/85/38/95/911853895.db2.gz FBDKQKXSECEDJE-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)CC[N@H+](C)CCC ZINC001331611512 917450388 /nfs/dbraw/zinc/45/03/88/917450388.db2.gz JCHPDYZCIWIJKV-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001331740104 917562089 /nfs/dbraw/zinc/56/20/89/917562089.db2.gz NYPKLWNJEWSTKK-CHWSQXEVSA-N 2 1 269.389 0.114 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001335443007 920197188 /nfs/dbraw/zinc/19/71/88/920197188.db2.gz FAOFHULUKSSJJN-UKRRQHHQSA-N 2 1 292.427 0.982 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001336894415 921088158 /nfs/dbraw/zinc/08/81/58/921088158.db2.gz PVOIXLMLKXNBOD-ZIAGYGMSSA-N 2 1 280.416 0.568 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCCC[NH+]1C ZINC001340923612 922279653 /nfs/dbraw/zinc/27/96/53/922279653.db2.gz ROPZVYPMMLHLPJ-AWEZNQCLSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001340923612 922279670 /nfs/dbraw/zinc/27/96/70/922279670.db2.gz ROPZVYPMMLHLPJ-AWEZNQCLSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001340923612 922279687 /nfs/dbraw/zinc/27/96/87/922279687.db2.gz ROPZVYPMMLHLPJ-AWEZNQCLSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[NH2+]CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC001341556090 922551176 /nfs/dbraw/zinc/55/11/76/922551176.db2.gz SYCBDLVBBOSWAA-CQSZACIVSA-N 2 1 265.401 0.980 20 30 CCEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC001448874523 931014963 /nfs/dbraw/zinc/01/49/63/931014963.db2.gz RIXQEVUIYWFWLD-HIFRSBDPSA-N 2 1 283.416 0.408 20 30 CCEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001448874523 931014971 /nfs/dbraw/zinc/01/49/71/931014971.db2.gz RIXQEVUIYWFWLD-HIFRSBDPSA-N 2 1 283.416 0.408 20 30 CCEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001448874523 931014981 /nfs/dbraw/zinc/01/49/81/931014981.db2.gz RIXQEVUIYWFWLD-HIFRSBDPSA-N 2 1 283.416 0.408 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000600769314 362058879 /nfs/dbraw/zinc/05/88/79/362058879.db2.gz MARVJXWRNUVKLN-LBPRGKRZSA-N 2 1 260.341 0.631 20 30 CCEDMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594440576 360310221 /nfs/dbraw/zinc/31/02/21/360310221.db2.gz FUGBOTPKDJFLAC-QWHCGFSZSA-N 2 1 266.389 0.856 20 30 CCEDMP OC[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](CO)C2)C1 ZINC000351606152 389631389 /nfs/dbraw/zinc/63/13/89/389631389.db2.gz AYJXTFFGZXWIEV-HOTGVXAUSA-N 2 1 280.412 0.398 20 30 CCEDMP C[C@H](O)CC[NH+](C)CC#CC[N@H+](C)CC[C@H](C)O ZINC000351440006 389582983 /nfs/dbraw/zinc/58/29/83/389582983.db2.gz ZZQUTJRRFPOEHI-KBPBESRZSA-N 2 1 256.390 0.395 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000491682582 390115967 /nfs/dbraw/zinc/11/59/67/390115967.db2.gz SPPVXKXHNGYDBZ-MRXNPFEDSA-N 2 1 292.427 0.679 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000491682582 390115968 /nfs/dbraw/zinc/11/59/68/390115968.db2.gz SPPVXKXHNGYDBZ-MRXNPFEDSA-N 2 1 292.427 0.679 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000491682582 390115969 /nfs/dbraw/zinc/11/59/69/390115969.db2.gz SPPVXKXHNGYDBZ-MRXNPFEDSA-N 2 1 292.427 0.679 20 30 CCEDMP C=CCOCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106694 390599812 /nfs/dbraw/zinc/59/98/12/390599812.db2.gz MCYCUVKOPBRAED-UHFFFAOYSA-N 2 1 254.374 0.986 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525686423 390665030 /nfs/dbraw/zinc/66/50/30/390665030.db2.gz PSBALLRUWXOQGQ-OAHLLOKOSA-N 2 1 294.443 0.389 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525686423 390665032 /nfs/dbraw/zinc/66/50/32/390665032.db2.gz PSBALLRUWXOQGQ-OAHLLOKOSA-N 2 1 294.443 0.389 20 30 CCEDMP C=C(C)[C@@H](CO)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326413 414710218 /nfs/dbraw/zinc/71/02/18/414710218.db2.gz ZBYWWUUTTHYMNM-UONOGXRCSA-N 2 1 256.390 0.966 20 30 CCEDMP C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326413 414710219 /nfs/dbraw/zinc/71/02/19/414710219.db2.gz ZBYWWUUTTHYMNM-UONOGXRCSA-N 2 1 256.390 0.966 20 30 CCEDMP C=CC[C@@]1(C(=O)NCC[N@H+](C)CCCOC)CCC[NH2+]1 ZINC000662742951 414751228 /nfs/dbraw/zinc/75/12/28/414751228.db2.gz JCWOBEGKJYPMAE-HNNXBMFYSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CC[C@]1(C(=O)NCC[N@H+](C)CCOC)CCC[NH2+]1 ZINC000662702654 414743736 /nfs/dbraw/zinc/74/37/36/414743736.db2.gz BMZXGXALCIMFLL-CQSZACIVSA-N 2 1 269.389 0.379 20 30 CCEDMP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CC[C@H](N2CC=CC2)C1 ZINC000131877362 264384774 /nfs/dbraw/zinc/38/47/74/264384774.db2.gz OVXBLBNNKDYTOL-AWEZNQCLSA-N 2 1 293.459 0.896 20 30 CCEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262454126 330014261 /nfs/dbraw/zinc/01/42/61/330014261.db2.gz KMNBWLQLQIGYAH-OLZOCXBDSA-N 2 1 268.405 0.754 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(O)CCC1 ZINC000262548371 330020813 /nfs/dbraw/zinc/02/08/13/330020813.db2.gz WMOUGTFPXVVNHI-LLVKDONJSA-N 2 1 254.378 0.290 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@H](CNC2=[NH+]CCN2C)C1 ZINC000262670727 330025708 /nfs/dbraw/zinc/02/57/08/330025708.db2.gz QVBJOJBAVPAFJY-GFCCVEGCSA-N 2 1 254.378 0.234 20 30 CCEDMP C[N@@H+]1CC=C(CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000263114247 330044371 /nfs/dbraw/zinc/04/43/71/330044371.db2.gz BUJHQLGBTAGUCZ-LBPRGKRZSA-N 2 1 252.362 0.332 20 30 CCEDMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424129636 330260261 /nfs/dbraw/zinc/26/02/61/330260261.db2.gz GJJPAGMKYKCLHH-CHWSQXEVSA-N 2 1 266.389 0.856 20 30 CCEDMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424137624 330275050 /nfs/dbraw/zinc/27/50/50/330275050.db2.gz SJAQXXKXJSKYNP-CHWSQXEVSA-N 2 1 266.389 0.808 20 30 CCEDMP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CC[N@H+](C2CC2)C1 ZINC000424153584 330300005 /nfs/dbraw/zinc/30/00/05/330300005.db2.gz KIZQNOWIOJWMTC-STQMWFEESA-N 2 1 264.373 0.703 20 30 CCEDMP CC[N@@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C(C)C ZINC000424162341 330307297 /nfs/dbraw/zinc/30/72/97/330307297.db2.gz WRBBOSSLODHUQD-GFCCVEGCSA-N 2 1 254.378 0.854 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](C)CC2)CC1 ZINC000490761210 332113269 /nfs/dbraw/zinc/11/32/69/332113269.db2.gz SIYANZXYVUGYMX-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000491122273 332152709 /nfs/dbraw/zinc/15/27/09/332152709.db2.gz VCOULMQCCZRAAL-UHFFFAOYSA-N 2 1 294.443 0.084 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000491164710 332159256 /nfs/dbraw/zinc/15/92/56/332159256.db2.gz DVULORNRSYFMDK-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000491164710 332159257 /nfs/dbraw/zinc/15/92/57/332159257.db2.gz DVULORNRSYFMDK-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000491164710 332159259 /nfs/dbraw/zinc/15/92/59/332159259.db2.gz DVULORNRSYFMDK-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)[NH2+]CC ZINC000491486135 332220670 /nfs/dbraw/zinc/22/06/70/332220670.db2.gz UJECJBSMFXCZJI-GFCCVEGCSA-N 2 1 254.378 0.239 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000491712920 332304142 /nfs/dbraw/zinc/30/41/42/332304142.db2.gz YFMQJICCFJKPAS-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000491712920 332304143 /nfs/dbraw/zinc/30/41/43/332304143.db2.gz YFMQJICCFJKPAS-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000491712920 332304144 /nfs/dbraw/zinc/30/41/44/332304144.db2.gz YFMQJICCFJKPAS-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000491813886 332365514 /nfs/dbraw/zinc/36/55/14/332365514.db2.gz LICSQUCRBUEGOI-CYBMUJFWSA-N 2 1 251.374 0.447 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC000528448876 333438576 /nfs/dbraw/zinc/43/85/76/333438576.db2.gz MBSAAAHUGITBDH-UHFFFAOYSA-N 2 1 262.357 0.958 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000081355663 334186461 /nfs/dbraw/zinc/18/64/61/334186461.db2.gz SLOBGGGZQQGNSS-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000081355663 334186463 /nfs/dbraw/zinc/18/64/63/334186463.db2.gz SLOBGGGZQQGNSS-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)[C@H](CO)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000678719325 545397040 /nfs/dbraw/zinc/39/70/40/545397040.db2.gz GKPKIBHLYGFRKV-HNNXBMFYSA-N 2 1 269.433 0.881 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000731223287 581758976 /nfs/dbraw/zinc/75/89/76/581758976.db2.gz DKIVOMXGQFSXEP-ZFWWWQNUSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000731223287 581758977 /nfs/dbraw/zinc/75/89/77/581758977.db2.gz DKIVOMXGQFSXEP-ZFWWWQNUSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000731223287 581758979 /nfs/dbraw/zinc/75/89/79/581758979.db2.gz DKIVOMXGQFSXEP-ZFWWWQNUSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000731223287 581758981 /nfs/dbraw/zinc/75/89/81/581758981.db2.gz DKIVOMXGQFSXEP-ZFWWWQNUSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH+](C)C ZINC000732307466 581819106 /nfs/dbraw/zinc/81/91/06/581819106.db2.gz FUOLEYLQZDQBCW-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH+](C)C ZINC000732307466 581819110 /nfs/dbraw/zinc/81/91/10/581819110.db2.gz FUOLEYLQZDQBCW-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000732308225 581819172 /nfs/dbraw/zinc/81/91/72/581819172.db2.gz VGFDVZHDKFPZJK-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000732308225 581819175 /nfs/dbraw/zinc/81/91/75/581819175.db2.gz VGFDVZHDKFPZJK-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000747404121 581938946 /nfs/dbraw/zinc/93/89/46/581938946.db2.gz GKSWBNYSDWMGLU-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000922630275 613076352 /nfs/dbraw/zinc/07/63/52/613076352.db2.gz OYRLISPIBVMYSA-CHWSQXEVSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000922630275 613076353 /nfs/dbraw/zinc/07/63/53/613076353.db2.gz OYRLISPIBVMYSA-CHWSQXEVSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000872209643 613078762 /nfs/dbraw/zinc/07/87/62/613078762.db2.gz YMBYCFOKJOFVOZ-CABCVRRESA-N 2 1 268.401 0.443 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000872209643 613078763 /nfs/dbraw/zinc/07/87/63/613078763.db2.gz YMBYCFOKJOFVOZ-CABCVRRESA-N 2 1 268.401 0.443 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000852360376 613076995 /nfs/dbraw/zinc/07/69/95/613076995.db2.gz XTWCIJXRAQCUEM-AWEZNQCLSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CCC)C1 ZINC000852360376 613076996 /nfs/dbraw/zinc/07/69/96/613076996.db2.gz XTWCIJXRAQCUEM-AWEZNQCLSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CCC)C1 ZINC000852360376 613076998 /nfs/dbraw/zinc/07/69/98/613076998.db2.gz XTWCIJXRAQCUEM-AWEZNQCLSA-N 2 1 280.416 0.725 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000876707755 613387908 /nfs/dbraw/zinc/38/79/08/613387908.db2.gz QLRUTYRNBRTBQH-LLVKDONJSA-N 2 1 275.780 0.295 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977481411 613031160 /nfs/dbraw/zinc/03/11/60/613031160.db2.gz YNUJBDFSXPAXSI-CQSZACIVSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959918621 613044073 /nfs/dbraw/zinc/04/40/73/613044073.db2.gz GIGOXBDKGVQATO-WCVJEAGWSA-N 2 1 287.407 0.398 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000838622815 613074175 /nfs/dbraw/zinc/07/41/75/613074175.db2.gz PAVYHNULTJUGDO-HNNXBMFYSA-N 2 1 290.411 0.597 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000922630275 613076351 /nfs/dbraw/zinc/07/63/51/613076351.db2.gz OYRLISPIBVMYSA-CHWSQXEVSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905276315 613078334 /nfs/dbraw/zinc/07/83/34/613078334.db2.gz XBVMJPHAYOHCRN-HNNXBMFYSA-N 2 1 282.428 0.835 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905276315 613078336 /nfs/dbraw/zinc/07/83/36/613078336.db2.gz XBVMJPHAYOHCRN-HNNXBMFYSA-N 2 1 282.428 0.835 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]CC(C)(C)N1CCOCC1 ZINC000894863542 613078428 /nfs/dbraw/zinc/07/84/28/613078428.db2.gz HQMDLAWLLKRULE-UHFFFAOYSA-N 2 1 267.417 0.642 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]CC(C)(C)N1CCOCC1 ZINC000894863542 613078429 /nfs/dbraw/zinc/07/84/29/613078429.db2.gz HQMDLAWLLKRULE-UHFFFAOYSA-N 2 1 267.417 0.642 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000971566845 613093092 /nfs/dbraw/zinc/09/30/92/613093092.db2.gz KHKRGCGWWWMPIU-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000971566845 613093093 /nfs/dbraw/zinc/09/30/93/613093093.db2.gz KHKRGCGWWWMPIU-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000971566845 613093094 /nfs/dbraw/zinc/09/30/94/613093094.db2.gz KHKRGCGWWWMPIU-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000928653036 613136754 /nfs/dbraw/zinc/13/67/54/613136754.db2.gz WJDIIBNTQXTBAK-OAHLLOKOSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981813201 613141742 /nfs/dbraw/zinc/14/17/42/613141742.db2.gz HGMUFCYDFPKUSF-OAHLLOKOSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC2)C1 ZINC000890367653 613167155 /nfs/dbraw/zinc/16/71/55/613167155.db2.gz QURYKOBLFDFCJE-CQSZACIVSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC2)C1 ZINC000890367653 613167157 /nfs/dbraw/zinc/16/71/57/613167157.db2.gz QURYKOBLFDFCJE-CQSZACIVSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000890367653 613167159 /nfs/dbraw/zinc/16/71/59/613167159.db2.gz QURYKOBLFDFCJE-CQSZACIVSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000890367653 613167160 /nfs/dbraw/zinc/16/71/60/613167160.db2.gz QURYKOBLFDFCJE-CQSZACIVSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C1 ZINC000896489000 613167518 /nfs/dbraw/zinc/16/75/18/613167518.db2.gz KZVKKUQCAMCQNH-QLFBSQMISA-N 2 1 290.411 0.287 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC000896489000 613167520 /nfs/dbraw/zinc/16/75/20/613167520.db2.gz KZVKKUQCAMCQNH-QLFBSQMISA-N 2 1 290.411 0.287 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC000896489000 613167523 /nfs/dbraw/zinc/16/75/23/613167523.db2.gz KZVKKUQCAMCQNH-QLFBSQMISA-N 2 1 290.411 0.287 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC000896489000 613167525 /nfs/dbraw/zinc/16/75/25/613167525.db2.gz KZVKKUQCAMCQNH-QLFBSQMISA-N 2 1 290.411 0.287 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000890377414 613183775 /nfs/dbraw/zinc/18/37/75/613183775.db2.gz UJLOZDBQRHBZHC-AWEZNQCLSA-N 2 1 278.400 0.431 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@H+](C)CC2)C1 ZINC000890377414 613183777 /nfs/dbraw/zinc/18/37/77/613183777.db2.gz UJLOZDBQRHBZHC-AWEZNQCLSA-N 2 1 278.400 0.431 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[NH+](C)CC2)C1 ZINC000890377414 613183779 /nfs/dbraw/zinc/18/37/79/613183779.db2.gz UJLOZDBQRHBZHC-AWEZNQCLSA-N 2 1 278.400 0.431 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](C)CC2)C1 ZINC000890377414 613183780 /nfs/dbraw/zinc/18/37/80/613183780.db2.gz UJLOZDBQRHBZHC-AWEZNQCLSA-N 2 1 278.400 0.431 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000884450284 613185609 /nfs/dbraw/zinc/18/56/09/613185609.db2.gz DFOQNGLPJJRRJV-SOUVJXGZSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000884450284 613185610 /nfs/dbraw/zinc/18/56/10/613185610.db2.gz DFOQNGLPJJRRJV-SOUVJXGZSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000923554624 613190644 /nfs/dbraw/zinc/19/06/44/613190644.db2.gz PUFFOPSDUOBWCK-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000923554624 613190645 /nfs/dbraw/zinc/19/06/45/613190645.db2.gz PUFFOPSDUOBWCK-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000923554624 613190647 /nfs/dbraw/zinc/19/06/47/613190647.db2.gz PUFFOPSDUOBWCK-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000923554624 613190648 /nfs/dbraw/zinc/19/06/48/613190648.db2.gz PUFFOPSDUOBWCK-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861910657 613198272 /nfs/dbraw/zinc/19/82/72/613198272.db2.gz RYBCGQICPNCBPR-RFQIPJPRSA-N 2 1 261.369 0.102 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861910657 613198274 /nfs/dbraw/zinc/19/82/74/613198274.db2.gz RYBCGQICPNCBPR-RFQIPJPRSA-N 2 1 261.369 0.102 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC)C[C@H]21 ZINC000978285025 613200041 /nfs/dbraw/zinc/20/00/41/613200041.db2.gz UTVPXJSRPXRXDN-XQLPTFJDSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC)C[C@H]21 ZINC000978285025 613200042 /nfs/dbraw/zinc/20/00/42/613200042.db2.gz UTVPXJSRPXRXDN-XQLPTFJDSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC)C[C@H]21 ZINC000978285025 613200044 /nfs/dbraw/zinc/20/00/44/613200044.db2.gz UTVPXJSRPXRXDN-XQLPTFJDSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC)C[C@H]21 ZINC000978285025 613200045 /nfs/dbraw/zinc/20/00/45/613200045.db2.gz UTVPXJSRPXRXDN-XQLPTFJDSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000824087838 613202861 /nfs/dbraw/zinc/20/28/61/613202861.db2.gz WDRYJOFWKXORFY-IHRRRGAJSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000824087838 613202862 /nfs/dbraw/zinc/20/28/62/613202862.db2.gz WDRYJOFWKXORFY-IHRRRGAJSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000942517526 613229259 /nfs/dbraw/zinc/22/92/59/613229259.db2.gz BCPUZKYRGFMVIK-GXTWGEPZSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000942517526 613229261 /nfs/dbraw/zinc/22/92/61/613229261.db2.gz BCPUZKYRGFMVIK-GXTWGEPZSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000977924787 613308239 /nfs/dbraw/zinc/30/82/39/613308239.db2.gz WAQWZRSSSZNCMM-FQUUOJAGSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977924787 613308241 /nfs/dbraw/zinc/30/82/41/613308241.db2.gz WAQWZRSSSZNCMM-FQUUOJAGSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977924787 613308243 /nfs/dbraw/zinc/30/82/43/613308243.db2.gz WAQWZRSSSZNCMM-FQUUOJAGSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000961787416 613313543 /nfs/dbraw/zinc/31/35/43/613313543.db2.gz KBZLGCURDILLOD-RMRHIDDWSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000961787416 613313545 /nfs/dbraw/zinc/31/35/45/613313545.db2.gz KBZLGCURDILLOD-RMRHIDDWSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000961787416 613313547 /nfs/dbraw/zinc/31/35/47/613313547.db2.gz KBZLGCURDILLOD-RMRHIDDWSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000960582174 613315682 /nfs/dbraw/zinc/31/56/82/613315682.db2.gz SYCGRXDYFKGUFS-RFQIPJPRSA-N 2 1 261.369 0.150 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC000960582174 613315683 /nfs/dbraw/zinc/31/56/83/613315683.db2.gz SYCGRXDYFKGUFS-RFQIPJPRSA-N 2 1 261.369 0.150 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC000960582174 613315684 /nfs/dbraw/zinc/31/56/84/613315684.db2.gz SYCGRXDYFKGUFS-RFQIPJPRSA-N 2 1 261.369 0.150 20 30 CCEDMP C=C(C)[C@H](CO)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000929980858 613362321 /nfs/dbraw/zinc/36/23/21/613362321.db2.gz LCLBBDMNUOLWSE-GJZGRUSLSA-N 2 1 267.417 0.635 20 30 CCEDMP C=C(C)[C@H](CO)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000929980858 613362322 /nfs/dbraw/zinc/36/23/22/613362322.db2.gz LCLBBDMNUOLWSE-GJZGRUSLSA-N 2 1 267.417 0.635 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000900648217 613363435 /nfs/dbraw/zinc/36/34/35/613363435.db2.gz XMLLKFBNEGVPQG-UHFFFAOYSA-N 2 1 296.459 0.590 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000912715414 613363622 /nfs/dbraw/zinc/36/36/22/613363622.db2.gz VXYSELVKUYLRSN-HNNXBMFYSA-N 2 1 295.427 0.552 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000910927523 613364527 /nfs/dbraw/zinc/36/45/27/613364527.db2.gz ALAQOAAELHPEAI-UONOGXRCSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000900061295 613364970 /nfs/dbraw/zinc/36/49/70/613364970.db2.gz TVKVUNUMSNRIBE-HNNXBMFYSA-N 2 1 297.443 0.967 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000962553169 613382626 /nfs/dbraw/zinc/38/26/26/613382626.db2.gz LNBXYIQNYGVTII-NDBYEHHHSA-N 2 1 283.803 0.737 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000962553169 613382627 /nfs/dbraw/zinc/38/26/27/613382627.db2.gz LNBXYIQNYGVTII-NDBYEHHHSA-N 2 1 283.803 0.737 20 30 CCEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962553169 613382628 /nfs/dbraw/zinc/38/26/28/613382628.db2.gz LNBXYIQNYGVTII-NDBYEHHHSA-N 2 1 283.803 0.737 20 30 CCEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962553169 613382629 /nfs/dbraw/zinc/38/26/29/613382629.db2.gz LNBXYIQNYGVTII-NDBYEHHHSA-N 2 1 283.803 0.737 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCC[NH2+]1 ZINC000852864252 613422980 /nfs/dbraw/zinc/42/29/80/613422980.db2.gz PYCSBQJXRSTZAP-SQWLQELKSA-N 2 1 293.411 0.664 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971272796 613618139 /nfs/dbraw/zinc/61/81/39/613618139.db2.gz ZSVMJTOFQLLJDA-CHWSQXEVSA-N 2 1 267.373 0.036 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971272796 613618140 /nfs/dbraw/zinc/61/81/40/613618140.db2.gz ZSVMJTOFQLLJDA-CHWSQXEVSA-N 2 1 267.373 0.036 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971272796 613618141 /nfs/dbraw/zinc/61/81/41/613618141.db2.gz ZSVMJTOFQLLJDA-CHWSQXEVSA-N 2 1 267.373 0.036 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971272796 613618142 /nfs/dbraw/zinc/61/81/42/613618142.db2.gz ZSVMJTOFQLLJDA-CHWSQXEVSA-N 2 1 267.373 0.036 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961662188 613633263 /nfs/dbraw/zinc/63/32/63/613633263.db2.gz HHYAKPSIWIHDBG-FICVDOATSA-N 2 1 275.396 0.398 20 30 CCEDMP C=CCNC(=O)C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879123082 613844889 /nfs/dbraw/zinc/84/48/89/613844889.db2.gz CLSDIIBZKKCNOU-UHFFFAOYSA-N 2 1 283.416 0.579 20 30 CCEDMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834484495 614907013 /nfs/dbraw/zinc/90/70/13/614907013.db2.gz JQRAMWRCXDNDMZ-OLZOCXBDSA-N 2 1 266.389 0.726 20 30 CCEDMP CCO[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C[NH+](C)C ZINC000905575164 615409996 /nfs/dbraw/zinc/40/99/96/615409996.db2.gz HCPUFJDOJLYUMB-STQMWFEESA-N 2 1 271.405 0.843 20 30 CCEDMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C#CC1CC[NH2+]CC1 ZINC000877452242 616216573 /nfs/dbraw/zinc/21/65/73/616216573.db2.gz VDPLSBRYNBSSLD-CABCVRRESA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001026283290 625387592 /nfs/dbraw/zinc/38/75/92/625387592.db2.gz FXDLFDDMEFADKJ-NUEKZKHPSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001022610552 622586720 /nfs/dbraw/zinc/58/67/20/622586720.db2.gz RCNPYEZEUMTAPD-MCIONIFRSA-N 2 1 286.379 0.624 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023380459 623018511 /nfs/dbraw/zinc/01/85/11/623018511.db2.gz ZLQLYILWWUGBKL-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023755343 623130406 /nfs/dbraw/zinc/13/04/06/623130406.db2.gz HZCAJXJEYQUURN-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023755343 623130415 /nfs/dbraw/zinc/13/04/15/623130415.db2.gz HZCAJXJEYQUURN-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023755343 623130421 /nfs/dbraw/zinc/13/04/21/623130421.db2.gz HZCAJXJEYQUURN-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023755343 623130423 /nfs/dbraw/zinc/13/04/23/623130423.db2.gz HZCAJXJEYQUURN-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020406232 624469624 /nfs/dbraw/zinc/46/96/24/624469624.db2.gz NWRDRVIVXIAGBE-NTTUHNMPSA-N 2 1 291.395 0.272 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022069718 624870579 /nfs/dbraw/zinc/87/05/79/624870579.db2.gz NTRRBVBJJWNZGI-MJBXVCDLSA-N 2 1 263.385 0.729 20 30 CCEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027806328 630935101 /nfs/dbraw/zinc/93/51/01/630935101.db2.gz GGCRBFKMWAGCRJ-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027806328 630935103 /nfs/dbraw/zinc/93/51/03/630935103.db2.gz GGCRBFKMWAGCRJ-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027806328 630935104 /nfs/dbraw/zinc/93/51/04/630935104.db2.gz GGCRBFKMWAGCRJ-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027806328 630935106 /nfs/dbraw/zinc/93/51/06/630935106.db2.gz GGCRBFKMWAGCRJ-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CCCO1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083094597 630968593 /nfs/dbraw/zinc/96/85/93/630968593.db2.gz NLQOKOMSFCEYBC-JSGCOSHPSA-N 2 1 280.416 0.957 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CCCO1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083094597 630968607 /nfs/dbraw/zinc/96/86/07/630968607.db2.gz NLQOKOMSFCEYBC-JSGCOSHPSA-N 2 1 280.416 0.957 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000985469923 632502881 /nfs/dbraw/zinc/50/28/81/632502881.db2.gz LJPHULUGOXFGHS-OAHLLOKOSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007350493 650074934 /nfs/dbraw/zinc/07/49/34/650074934.db2.gz QPXAVUXZLZWUCJ-JKSUJKDBSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC000985769177 632638581 /nfs/dbraw/zinc/63/85/81/632638581.db2.gz GHTHEKWOKNBVQY-UHFFFAOYSA-N 2 1 274.368 0.817 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001007625274 650086635 /nfs/dbraw/zinc/08/66/35/650086635.db2.gz SDVYSHONKLEVCM-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001007625274 650086638 /nfs/dbraw/zinc/08/66/38/650086638.db2.gz SDVYSHONKLEVCM-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001007625274 650086641 /nfs/dbraw/zinc/08/66/41/650086641.db2.gz SDVYSHONKLEVCM-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007625274 650086642 /nfs/dbraw/zinc/08/66/42/650086642.db2.gz SDVYSHONKLEVCM-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC000987189539 632838437 /nfs/dbraw/zinc/83/84/37/632838437.db2.gz GEIXLDIISMDZHW-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCN1CCCN(C(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC000989673725 633344013 /nfs/dbraw/zinc/34/40/13/633344013.db2.gz UYFPWKWUDOPNRW-HNNXBMFYSA-N 2 1 293.411 0.122 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC000989803508 633354803 /nfs/dbraw/zinc/35/48/03/633354803.db2.gz UKGSALNMBFAIPV-AAEUAGOBSA-N 2 1 262.357 0.957 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001009526557 650147467 /nfs/dbraw/zinc/14/74/67/650147467.db2.gz ZUYRZMXQCMNIKR-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001009526557 650147470 /nfs/dbraw/zinc/14/74/70/650147470.db2.gz ZUYRZMXQCMNIKR-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009507358 650145985 /nfs/dbraw/zinc/14/59/85/650145985.db2.gz GYXBRKPUFNOEQJ-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009507358 650145986 /nfs/dbraw/zinc/14/59/86/650145986.db2.gz GYXBRKPUFNOEQJ-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010369896 650207502 /nfs/dbraw/zinc/20/75/02/650207502.db2.gz PPVAWGNGXDORQO-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010369896 650207504 /nfs/dbraw/zinc/20/75/04/650207504.db2.gz PPVAWGNGXDORQO-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010369896 650207506 /nfs/dbraw/zinc/20/75/06/650207506.db2.gz PPVAWGNGXDORQO-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C[C@@]1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCCO1 ZINC000151248121 636789613 /nfs/dbraw/zinc/78/96/13/636789613.db2.gz SERSLPCJOJXGJQ-AWEZNQCLSA-N 2 1 284.404 0.182 20 30 CCEDMP C#CCN1CCC[C@H](NC(=O)Cc2[nH]cnc2C)[C@H]1C ZINC000994299311 637919021 /nfs/dbraw/zinc/91/90/21/637919021.db2.gz VRJVZSRXAVXPFV-OLZOCXBDSA-N 2 1 274.368 0.863 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000181460620 638369458 /nfs/dbraw/zinc/36/94/58/638369458.db2.gz RSNXSRZFOFILMS-ZDUSSCGKSA-N 2 1 268.405 0.752 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000083131604 638793122 /nfs/dbraw/zinc/79/31/22/638793122.db2.gz SRQRYPNZAIZONC-UONOGXRCSA-N 3 1 293.459 0.730 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000083131604 638793123 /nfs/dbraw/zinc/79/31/23/638793123.db2.gz SRQRYPNZAIZONC-UONOGXRCSA-N 3 1 293.459 0.730 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000083131604 638793124 /nfs/dbraw/zinc/79/31/24/638793124.db2.gz SRQRYPNZAIZONC-UONOGXRCSA-N 3 1 293.459 0.730 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083131604 638793125 /nfs/dbraw/zinc/79/31/25/638793125.db2.gz SRQRYPNZAIZONC-UONOGXRCSA-N 3 1 293.459 0.730 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083131604 638793126 /nfs/dbraw/zinc/79/31/26/638793126.db2.gz SRQRYPNZAIZONC-UONOGXRCSA-N 3 1 293.459 0.730 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014468635 650454150 /nfs/dbraw/zinc/45/41/50/650454150.db2.gz QDICQXVUJDWCFV-ZIAGYGMSSA-N 2 1 263.385 0.705 20 30 CCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001151677 639248161 /nfs/dbraw/zinc/24/81/61/639248161.db2.gz OAGRQZSOYBDHBT-HOCLYGCPSA-N 2 1 289.423 0.956 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001151677 639248167 /nfs/dbraw/zinc/24/81/67/639248167.db2.gz OAGRQZSOYBDHBT-HOCLYGCPSA-N 2 1 289.423 0.956 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001151677 639248177 /nfs/dbraw/zinc/24/81/77/639248177.db2.gz OAGRQZSOYBDHBT-HOCLYGCPSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001002138842 639371478 /nfs/dbraw/zinc/37/14/78/639371478.db2.gz PZTXJECJIMSSLX-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002138842 639371483 /nfs/dbraw/zinc/37/14/83/639371483.db2.gz PZTXJECJIMSSLX-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001006002511 640061872 /nfs/dbraw/zinc/06/18/72/640061872.db2.gz XWQGQZGVKDNAJR-ZFWWWQNUSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930732 650658742 /nfs/dbraw/zinc/65/87/42/650658742.db2.gz UQEFBIQNBSHPOG-OAHLLOKOSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930732 650658747 /nfs/dbraw/zinc/65/87/47/650658747.db2.gz UQEFBIQNBSHPOG-OAHLLOKOSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015994586 650671050 /nfs/dbraw/zinc/67/10/50/650671050.db2.gz JPTOPIYUMAHBMJ-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015994586 650671052 /nfs/dbraw/zinc/67/10/52/650671052.db2.gz JPTOPIYUMAHBMJ-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015994586 650671055 /nfs/dbraw/zinc/67/10/55/650671055.db2.gz JPTOPIYUMAHBMJ-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001016302076 650713406 /nfs/dbraw/zinc/71/34/06/650713406.db2.gz IXMMTKGRRHHYTK-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001016302076 650713409 /nfs/dbraw/zinc/71/34/09/650713409.db2.gz IXMMTKGRRHHYTK-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016302076 650713412 /nfs/dbraw/zinc/71/34/12/650713412.db2.gz IXMMTKGRRHHYTK-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016302076 650713413 /nfs/dbraw/zinc/71/34/13/650713413.db2.gz IXMMTKGRRHHYTK-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000834485427 642576065 /nfs/dbraw/zinc/57/60/65/642576065.db2.gz WPZFOPPIVFZELY-WQVCFCJDSA-N 2 1 298.390 0.661 20 30 CCEDMP C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)[N@H+]1CCc2ccccc2C1 ZINC000834485427 642576070 /nfs/dbraw/zinc/57/60/70/642576070.db2.gz WPZFOPPIVFZELY-WQVCFCJDSA-N 2 1 298.390 0.661 20 30 CCEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001016968549 650775071 /nfs/dbraw/zinc/77/50/71/650775071.db2.gz GJMSVZQDUPRQTJ-GJZGRUSLSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001018266807 650850420 /nfs/dbraw/zinc/85/04/20/650850420.db2.gz RWXDWNBFUNMMRP-KFWWJZLASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001018266807 650850421 /nfs/dbraw/zinc/85/04/21/650850421.db2.gz RWXDWNBFUNMMRP-KFWWJZLASA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001018266807 650850422 /nfs/dbraw/zinc/85/04/22/650850422.db2.gz RWXDWNBFUNMMRP-KFWWJZLASA-N 2 1 275.396 0.637 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000852860290 644028488 /nfs/dbraw/zinc/02/84/88/644028488.db2.gz OXRBTFBSDZJCRG-CABCVRRESA-N 2 1 275.396 0.732 20 30 CCEDMP C[C@@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1C ZINC000852868668 644032913 /nfs/dbraw/zinc/03/29/13/644032913.db2.gz UJAAMZSXXQWSBZ-OCCSQVGLSA-N 2 1 263.385 0.588 20 30 CCEDMP C[C@H]1CCCN(C(=[NH2+])NCCN2CCC[N@@H+](C)CC2)C1 ZINC000303878814 649826338 /nfs/dbraw/zinc/82/63/38/649826338.db2.gz JIXIVZCZAXHZHW-AWEZNQCLSA-N 2 1 281.448 0.671 20 30 CCEDMP COCC[N@@H+](C)CCCNC(=[NH2+])NCC1CCC1 ZINC000303891189 649826640 /nfs/dbraw/zinc/82/66/40/649826640.db2.gz MWQHAKLJPJLWMU-UHFFFAOYSA-N 2 1 256.394 0.659 20 30 CCEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])NC(C)C)CC1 ZINC000303902365 649826979 /nfs/dbraw/zinc/82/69/79/649826979.db2.gz TWYMPNUTKSOGJS-UHFFFAOYSA-N 2 1 269.437 0.717 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)CCC ZINC001246000180 807111038 /nfs/dbraw/zinc/11/10/38/807111038.db2.gz KTUDQHIMBWUBOH-STQMWFEESA-N 2 1 272.389 0.964 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001267200451 791663068 /nfs/dbraw/zinc/66/30/68/791663068.db2.gz LUTPLDLDRUFIBN-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267200451 791663074 /nfs/dbraw/zinc/66/30/74/791663074.db2.gz LUTPLDLDRUFIBN-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001267200451 791663079 /nfs/dbraw/zinc/66/30/79/791663079.db2.gz LUTPLDLDRUFIBN-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCN(CCN1CC[NH2+]C[C@]12CC[NH2+]C2)C(=O)OCC ZINC001234981264 806325590 /nfs/dbraw/zinc/32/55/90/806325590.db2.gz MKCAZTHBTRFVFQ-OAHLLOKOSA-N 2 1 296.415 0.268 20 30 CCEDMP N#Cc1ccc2nc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)cn2c1 ZINC001234991852 806338950 /nfs/dbraw/zinc/33/89/50/806338950.db2.gz QDGARNGVMZTJRQ-MRXNPFEDSA-N 2 1 296.378 0.343 20 30 CCEDMP C=CCNCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001235351346 806412716 /nfs/dbraw/zinc/41/27/16/806412716.db2.gz XHOFDGPRRMEWKO-HOCLYGCPSA-N 2 1 295.427 0.627 20 30 CCEDMP C=CCNCC[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001235351346 806412728 /nfs/dbraw/zinc/41/27/28/806412728.db2.gz XHOFDGPRRMEWKO-HOCLYGCPSA-N 2 1 295.427 0.627 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC001121928372 799096887 /nfs/dbraw/zinc/09/68/87/799096887.db2.gz NXMPVWFOMTWEMK-HUUCEWRRSA-N 2 1 296.459 0.670 20 30 CCEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125226435 799667433 /nfs/dbraw/zinc/66/74/33/799667433.db2.gz BTVHLNQFLBAJIH-AWEZNQCLSA-N 2 1 285.432 0.993 20 30 CCEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125226435 799667435 /nfs/dbraw/zinc/66/74/35/799667435.db2.gz BTVHLNQFLBAJIH-AWEZNQCLSA-N 2 1 285.432 0.993 20 30 CCEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161206479 799881310 /nfs/dbraw/zinc/88/13/10/799881310.db2.gz JXCRARSFJYFPOC-ZBFHGGJFSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161206479 799881320 /nfs/dbraw/zinc/88/13/20/799881320.db2.gz JXCRARSFJYFPOC-ZBFHGGJFSA-N 2 1 289.423 0.956 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881997 800304719 /nfs/dbraw/zinc/30/47/19/800304719.db2.gz WAJDRHFELCAISE-CABCVRRESA-N 2 1 297.443 0.966 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001150589514 800348818 /nfs/dbraw/zinc/34/88/18/800348818.db2.gz USRXBLWRJOYGNZ-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150589514 800348827 /nfs/dbraw/zinc/34/88/27/800348827.db2.gz USRXBLWRJOYGNZ-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150589514 800348834 /nfs/dbraw/zinc/34/88/34/800348834.db2.gz USRXBLWRJOYGNZ-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150589514 800348842 /nfs/dbraw/zinc/34/88/42/800348842.db2.gz USRXBLWRJOYGNZ-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150731404 800363153 /nfs/dbraw/zinc/36/31/53/800363153.db2.gz KQROXVPNDFZKEJ-AWEZNQCLSA-N 2 1 292.383 0.585 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150731404 800363159 /nfs/dbraw/zinc/36/31/59/800363159.db2.gz KQROXVPNDFZKEJ-AWEZNQCLSA-N 2 1 292.383 0.585 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152392010 800517485 /nfs/dbraw/zinc/51/74/85/800517485.db2.gz IGLNLTASLRUZOX-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200409 801128533 /nfs/dbraw/zinc/12/85/33/801128533.db2.gz KLGBJEQIOXYVBB-OAHLLOKOSA-N 2 1 297.443 0.805 20 30 CCEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC#CCOC ZINC001156200409 801128535 /nfs/dbraw/zinc/12/85/35/801128535.db2.gz KLGBJEQIOXYVBB-OAHLLOKOSA-N 2 1 297.443 0.805 20 30 CCEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC#CCOC ZINC001156200409 801128541 /nfs/dbraw/zinc/12/85/41/801128541.db2.gz KLGBJEQIOXYVBB-OAHLLOKOSA-N 2 1 297.443 0.805 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158866579 801716781 /nfs/dbraw/zinc/71/67/81/801716781.db2.gz RYTRNTUKVJVBRB-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158866579 801716783 /nfs/dbraw/zinc/71/67/83/801716783.db2.gz RYTRNTUKVJVBRB-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158866579 801716786 /nfs/dbraw/zinc/71/67/86/801716786.db2.gz RYTRNTUKVJVBRB-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC[C@H](C)O ZINC001160209162 801920056 /nfs/dbraw/zinc/92/00/56/801920056.db2.gz AZNFEUWXZCVKQQ-GJZGRUSLSA-N 2 1 295.427 0.341 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC[C@H](C)O ZINC001160209162 801920062 /nfs/dbraw/zinc/92/00/62/801920062.db2.gz AZNFEUWXZCVKQQ-GJZGRUSLSA-N 2 1 295.427 0.341 20 30 CCEDMP Cc1nc(NCC[NH+]2CCC([NH3+])CC2)cnc1C#N ZINC001161870043 802236164 /nfs/dbraw/zinc/23/61/64/802236164.db2.gz DAXBMWPLMRUZTO-UHFFFAOYSA-N 2 1 260.345 0.492 20 30 CCEDMP C#CCOCCOCC[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254508476 808248778 /nfs/dbraw/zinc/24/87/78/808248778.db2.gz JHBHAQSQZLWFPY-CQSZACIVSA-N 2 1 254.374 0.727 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001278868292 808382696 /nfs/dbraw/zinc/38/26/96/808382696.db2.gz UYFHNHKHGULMDS-CQSZACIVSA-N 2 1 293.411 0.067 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969437 802778270 /nfs/dbraw/zinc/77/82/70/802778270.db2.gz QWPZFCYSRKHKQK-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267747978 811737741 /nfs/dbraw/zinc/73/77/41/811737741.db2.gz JSCDFDDYHPWODZ-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267747978 811737744 /nfs/dbraw/zinc/73/77/44/811737744.db2.gz JSCDFDDYHPWODZ-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166677711 802937110 /nfs/dbraw/zinc/93/71/10/802937110.db2.gz LSEIYMCMGIGTCN-CYBMUJFWSA-N 2 1 251.374 0.447 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001166708539 802944982 /nfs/dbraw/zinc/94/49/82/802944982.db2.gz SJUYQQQMGYPALS-CQSZACIVSA-N 2 1 288.395 0.873 20 30 CCEDMP N#Cc1ccn2ncc(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)c2c1 ZINC001205735557 803169600 /nfs/dbraw/zinc/16/96/00/803169600.db2.gz NQSPWVKNURBRPQ-INIZCTEOSA-N 2 1 299.378 0.882 20 30 CCEDMP N#Cc1ccn2ncc(C[N@@H+]3CCCC[C@](O)(C[NH3+])C3)c2c1 ZINC001205735557 803169604 /nfs/dbraw/zinc/16/96/04/803169604.db2.gz NQSPWVKNURBRPQ-INIZCTEOSA-N 2 1 299.378 0.882 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211026135 803665791 /nfs/dbraw/zinc/66/57/91/803665791.db2.gz SSWYLDOMPLOPMD-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211026135 803665795 /nfs/dbraw/zinc/66/57/95/803665795.db2.gz SSWYLDOMPLOPMD-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211026135 803665800 /nfs/dbraw/zinc/66/58/00/803665800.db2.gz SSWYLDOMPLOPMD-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213764795 803703364 /nfs/dbraw/zinc/70/33/64/803703364.db2.gz CYHSBUWMECXVAP-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213764795 803703367 /nfs/dbraw/zinc/70/33/67/803703367.db2.gz CYHSBUWMECXVAP-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213764795 803703372 /nfs/dbraw/zinc/70/33/72/803703372.db2.gz CYHSBUWMECXVAP-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213860003 803705205 /nfs/dbraw/zinc/70/52/05/803705205.db2.gz QOJXARPRBUJTCI-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213860003 803705208 /nfs/dbraw/zinc/70/52/08/803705208.db2.gz QOJXARPRBUJTCI-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335875 803735432 /nfs/dbraw/zinc/73/54/32/803735432.db2.gz LRSFNPQFEUUXKE-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001216499449 803839409 /nfs/dbraw/zinc/83/94/09/803839409.db2.gz JDCXVPCERCDNAR-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP N=C(c1ccccc1N)N(O)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218964769 804167994 /nfs/dbraw/zinc/16/79/94/804167994.db2.gz AQWWJPAALLORTE-NSHDSACASA-N 2 1 279.344 0.268 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083455372 815013387 /nfs/dbraw/zinc/01/33/87/815013387.db2.gz AJQIYPVBSADFAN-ILXRZTDVSA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083455372 815013393 /nfs/dbraw/zinc/01/33/93/815013393.db2.gz AJQIYPVBSADFAN-ILXRZTDVSA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455372 815013398 /nfs/dbraw/zinc/01/33/98/815013398.db2.gz AJQIYPVBSADFAN-ILXRZTDVSA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455372 815013404 /nfs/dbraw/zinc/01/34/04/815013404.db2.gz AJQIYPVBSADFAN-ILXRZTDVSA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219903294 804443342 /nfs/dbraw/zinc/44/33/42/804443342.db2.gz XQGGKRYFNKFLBS-KGLIPLIRSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219903294 804443347 /nfs/dbraw/zinc/44/33/47/804443347.db2.gz XQGGKRYFNKFLBS-KGLIPLIRSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219903294 804443353 /nfs/dbraw/zinc/44/33/53/804443353.db2.gz XQGGKRYFNKFLBS-KGLIPLIRSA-N 2 1 297.443 0.844 20 30 CCEDMP C#C[C@H](C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220460160 804608766 /nfs/dbraw/zinc/60/87/66/804608766.db2.gz CAYZZPWLGMYDNY-GOEBONIOSA-N 2 1 297.402 0.846 20 30 CCEDMP C#C[C@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220460160 804608769 /nfs/dbraw/zinc/60/87/69/804608769.db2.gz CAYZZPWLGMYDNY-GOEBONIOSA-N 2 1 297.402 0.846 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755139 804660311 /nfs/dbraw/zinc/66/03/11/804660311.db2.gz DOTXQCZNXSWHPK-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755139 804660318 /nfs/dbraw/zinc/66/03/18/804660318.db2.gz DOTXQCZNXSWHPK-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755139 804660325 /nfs/dbraw/zinc/66/03/25/804660325.db2.gz DOTXQCZNXSWHPK-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001276816113 804664417 /nfs/dbraw/zinc/66/44/17/804664417.db2.gz YFHVSCVILDTACA-TZMCWYRMSA-N 2 1 290.367 0.030 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772061 804843766 /nfs/dbraw/zinc/84/37/66/804843766.db2.gz MIDBVWGTXKNHNX-ZIAGYGMSSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772061 804843769 /nfs/dbraw/zinc/84/37/69/804843769.db2.gz MIDBVWGTXKNHNX-ZIAGYGMSSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221883545 804852301 /nfs/dbraw/zinc/85/23/01/804852301.db2.gz JZOLIJZVNZSWMU-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100980984 815042572 /nfs/dbraw/zinc/04/25/72/815042572.db2.gz PNLZVECUUBXJEW-SHARSMKWSA-N 2 1 293.411 0.072 20 30 CCEDMP N#Cc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)nc1 ZINC001222502777 804908307 /nfs/dbraw/zinc/90/83/07/804908307.db2.gz SCLRQACWHBYAMN-GJZGRUSLSA-N 2 1 271.368 0.479 20 30 CCEDMP N#Cc1cccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)n1 ZINC001222507188 804909790 /nfs/dbraw/zinc/90/97/90/804909790.db2.gz PWUWSEDPMSQTQT-GJZGRUSLSA-N 2 1 271.368 0.479 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225525649 805138562 /nfs/dbraw/zinc/13/85/62/805138562.db2.gz SIHXMXCPRLWWKV-KFWWJZLASA-N 2 1 293.411 0.357 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225525649 805138569 /nfs/dbraw/zinc/13/85/69/805138569.db2.gz SIHXMXCPRLWWKV-KFWWJZLASA-N 2 1 293.411 0.357 20 30 CCEDMP C#CCOC[C@@H](O)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246020940 807119908 /nfs/dbraw/zinc/11/99/08/807119908.db2.gz KJKOFPZYXNROLS-STQMWFEESA-N 2 1 258.337 0.150 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246020940 807119911 /nfs/dbraw/zinc/11/99/11/807119911.db2.gz KJKOFPZYXNROLS-STQMWFEESA-N 2 1 258.337 0.150 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001246059682 807137370 /nfs/dbraw/zinc/13/73/70/807137370.db2.gz LSSWLWBHYPDHTK-MJBXVCDLSA-N 2 1 252.358 0.071 20 30 CCEDMP N#C[C@@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN1 ZINC001246152478 807168753 /nfs/dbraw/zinc/16/87/53/807168753.db2.gz ZARDGHYBGCWIAF-MJBXVCDLSA-N 2 1 277.416 0.094 20 30 CCEDMP N#C[C@@H]1C[C@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CCN1 ZINC001246555397 807285460 /nfs/dbraw/zinc/28/54/60/807285460.db2.gz GKBAXBIMWTVJFJ-OUAUKWLOSA-N 2 1 258.316 0.546 20 30 CCEDMP N#C[C@@H]1C[C@H]([N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CCN1 ZINC001246555397 807285463 /nfs/dbraw/zinc/28/54/63/807285463.db2.gz GKBAXBIMWTVJFJ-OUAUKWLOSA-N 2 1 258.316 0.546 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466094 815107841 /nfs/dbraw/zinc/10/78/41/815107841.db2.gz FXSRTOGWNZZKLD-ZNMIVQPWSA-N 2 1 293.411 0.066 20 30 CCEDMP CC[N@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@@H](C)C1 ZINC001251712252 807697042 /nfs/dbraw/zinc/69/70/42/807697042.db2.gz ZBUVXHBBIVGOGS-ZDUSSCGKSA-N 2 1 266.389 0.287 20 30 CCEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252604596 807919374 /nfs/dbraw/zinc/91/93/74/807919374.db2.gz VLQCMSVCGZCUBB-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252604596 807919379 /nfs/dbraw/zinc/91/93/79/807919379.db2.gz VLQCMSVCGZCUBB-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCOCC1 ZINC001278715275 808046836 /nfs/dbraw/zinc/04/68/36/808046836.db2.gz PIBKFZDQIZKUSU-UHFFFAOYSA-N 2 1 290.367 0.080 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=C)C ZINC001278768456 808197301 /nfs/dbraw/zinc/19/73/01/808197301.db2.gz WZPCVJDXNMICOM-CABCVRRESA-N 2 1 293.411 0.069 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=C)C ZINC001278768456 808197305 /nfs/dbraw/zinc/19/73/05/808197305.db2.gz WZPCVJDXNMICOM-CABCVRRESA-N 2 1 293.411 0.069 20 30 CCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278777105 808214605 /nfs/dbraw/zinc/21/46/05/808214605.db2.gz SUPCPPOWSWIFPJ-GDBMZVCRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001278803926 808274033 /nfs/dbraw/zinc/27/40/33/808274033.db2.gz JJPOHJXXQZJEAP-ZIAGYGMSSA-N 2 1 283.416 0.313 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278815499 808280392 /nfs/dbraw/zinc/28/03/92/808280392.db2.gz FNGITXLCCMBOHY-HOCLYGCPSA-N 2 1 297.443 0.846 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076244752 815266770 /nfs/dbraw/zinc/26/67/70/815266770.db2.gz XTZYCUBQQMGJPB-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076244752 815266775 /nfs/dbraw/zinc/26/67/75/815266775.db2.gz XTZYCUBQQMGJPB-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001263857456 809590173 /nfs/dbraw/zinc/59/01/73/809590173.db2.gz RWZSSCHUPSVLTO-KKUMJFAQSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001263857456 809590177 /nfs/dbraw/zinc/59/01/77/809590177.db2.gz RWZSSCHUPSVLTO-KKUMJFAQSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001264403193 809652143 /nfs/dbraw/zinc/65/21/43/809652143.db2.gz HNBPQAVNQOMQAY-MELADBBJSA-N 2 1 265.401 0.999 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001266148393 809948798 /nfs/dbraw/zinc/94/87/98/809948798.db2.gz AEYFASFIAFDHBJ-ZDUSSCGKSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267303155 811123086 /nfs/dbraw/zinc/12/30/86/811123086.db2.gz KVOLDPFIWWWZEH-KGLIPLIRSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267303155 811123088 /nfs/dbraw/zinc/12/30/88/811123088.db2.gz KVOLDPFIWWWZEH-KGLIPLIRSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267303155 811123090 /nfs/dbraw/zinc/12/30/90/811123090.db2.gz KVOLDPFIWWWZEH-KGLIPLIRSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267307204 811128112 /nfs/dbraw/zinc/12/81/12/811128112.db2.gz NSIXJKHNBIMZNC-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267320626 811150951 /nfs/dbraw/zinc/15/09/51/811150951.db2.gz QDMHWALPPQAYTM-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCC[NH+](CCC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267320626 811150954 /nfs/dbraw/zinc/15/09/54/811150954.db2.gz QDMHWALPPQAYTM-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCC[NH+](CCC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267320626 811150956 /nfs/dbraw/zinc/15/09/56/811150956.db2.gz QDMHWALPPQAYTM-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001267335529 811172218 /nfs/dbraw/zinc/17/22/18/811172218.db2.gz YRGRQDHPJVKROR-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001267335529 811172226 /nfs/dbraw/zinc/17/22/26/811172226.db2.gz YRGRQDHPJVKROR-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267682210 811648594 /nfs/dbraw/zinc/64/85/94/811648594.db2.gz JKCFHNCEEGMMIJ-UHFFFAOYSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001077311231 815478330 /nfs/dbraw/zinc/47/83/30/815478330.db2.gz YNAGLCRHUMJYSJ-ZIAGYGMSSA-N 2 1 286.335 0.295 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001267967695 811902615 /nfs/dbraw/zinc/90/26/15/811902615.db2.gz AETSOSAHRMRORZ-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000709482049 811908319 /nfs/dbraw/zinc/90/83/19/811908319.db2.gz LIXYGVOPRSXGTR-UPJWGTAASA-N 2 1 264.373 0.751 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100827456 811923844 /nfs/dbraw/zinc/92/38/44/811923844.db2.gz GJTJFGGDWCYPNP-UHFFFAOYSA-N 2 1 251.374 0.446 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886853 812118608 /nfs/dbraw/zinc/11/86/08/812118608.db2.gz YTGCHCOFZATHOH-HZPDHXFCSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966373 812173384 /nfs/dbraw/zinc/17/33/84/812173384.db2.gz OCYRKKAZOVNVLI-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966373 812173390 /nfs/dbraw/zinc/17/33/90/812173390.db2.gz OCYRKKAZOVNVLI-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966373 812173395 /nfs/dbraw/zinc/17/33/95/812173395.db2.gz OCYRKKAZOVNVLI-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966373 812173401 /nfs/dbraw/zinc/17/34/01/812173401.db2.gz OCYRKKAZOVNVLI-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP CC#CCN1CCC[C@H](NC(=O)CCn2ccnc2)C1 ZINC001268216599 812369766 /nfs/dbraw/zinc/36/97/66/812369766.db2.gz LFRLMABCONCNGA-AWEZNQCLSA-N 2 1 274.368 0.877 20 30 CCEDMP C#CCSCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000178581830 812456870 /nfs/dbraw/zinc/45/68/70/812456870.db2.gz PLMDEOFIOASOPZ-GFCCVEGCSA-N 2 1 268.430 0.741 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028594495 812932805 /nfs/dbraw/zinc/93/28/05/812932805.db2.gz HLHOWAMHKCZMQD-ZIAGYGMSSA-N 2 1 286.379 0.832 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028594495 812932813 /nfs/dbraw/zinc/93/28/13/812932813.db2.gz HLHOWAMHKCZMQD-ZIAGYGMSSA-N 2 1 286.379 0.832 20 30 CCEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001268735085 813050813 /nfs/dbraw/zinc/05/08/13/813050813.db2.gz DQDPVBWTIDAHHY-UONOGXRCSA-N 2 1 288.395 0.905 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268751249 813063690 /nfs/dbraw/zinc/06/36/90/813063690.db2.gz KNBQVJONSHNUSU-CQSZACIVSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001268965788 813161498 /nfs/dbraw/zinc/16/14/98/813161498.db2.gz WKSRQJKNZZAXQM-STQMWFEESA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001268965788 813161503 /nfs/dbraw/zinc/16/15/03/813161503.db2.gz WKSRQJKNZZAXQM-STQMWFEESA-N 2 1 263.385 0.799 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2ccnc2)C1 ZINC001269264344 813295904 /nfs/dbraw/zinc/29/59/04/813295904.db2.gz WUAPMGQUTMXSAE-CYBMUJFWSA-N 2 1 260.341 0.439 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726579 814198171 /nfs/dbraw/zinc/19/81/71/814198171.db2.gz LCACELLNEQXRHT-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726579 814198181 /nfs/dbraw/zinc/19/81/81/814198181.db2.gz LCACELLNEQXRHT-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726579 814198186 /nfs/dbraw/zinc/19/81/86/814198186.db2.gz LCACELLNEQXRHT-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001271548036 814474033 /nfs/dbraw/zinc/47/40/33/814474033.db2.gz AQNPSHFIGFMDKK-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001271953732 814648108 /nfs/dbraw/zinc/64/81/08/814648108.db2.gz KYTVTGZKSGBSFV-UONOGXRCSA-N 2 1 263.385 0.801 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974090 816030837 /nfs/dbraw/zinc/03/08/37/816030837.db2.gz NYJNDIGRYTXUQI-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974090 816030843 /nfs/dbraw/zinc/03/08/43/816030843.db2.gz NYJNDIGRYTXUQI-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030960298 816505947 /nfs/dbraw/zinc/50/59/47/816505947.db2.gz KJFBJEAZGGXXOB-TZMCWYRMSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030960298 816505949 /nfs/dbraw/zinc/50/59/49/816505949.db2.gz KJFBJEAZGGXXOB-TZMCWYRMSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCc2ncc[nH]2)[C@H](OC)C1 ZINC001212199299 816636153 /nfs/dbraw/zinc/63/61/53/816636153.db2.gz TZWLAGNSTXGATN-CHWSQXEVSA-N 2 1 292.383 0.734 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC3CC3)C2)CC1 ZINC001031436387 817052936 /nfs/dbraw/zinc/05/29/36/817052936.db2.gz FZKUWRYDJDNDBB-UHFFFAOYSA-N 2 1 275.396 0.542 20 30 CCEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC#CCOC)CC[N@H+]1C ZINC001127701106 817466933 /nfs/dbraw/zinc/46/69/33/817466933.db2.gz IYFSKDDRGAQVNT-UONOGXRCSA-N 2 1 281.400 0.072 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780422 817860851 /nfs/dbraw/zinc/86/08/51/817860851.db2.gz YTMDQWJBYQLXDJ-STQMWFEESA-N 2 1 267.373 0.132 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033160695 818587946 /nfs/dbraw/zinc/58/79/46/818587946.db2.gz HXMJPBDZNPOCCK-CABCVRRESA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033160695 818587955 /nfs/dbraw/zinc/58/79/55/818587955.db2.gz HXMJPBDZNPOCCK-CABCVRRESA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCF)C1 ZINC001033160695 818587962 /nfs/dbraw/zinc/58/79/62/818587962.db2.gz HXMJPBDZNPOCCK-CABCVRRESA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCF)C1 ZINC001033160695 818587967 /nfs/dbraw/zinc/58/79/67/818587967.db2.gz HXMJPBDZNPOCCK-CABCVRRESA-N 2 1 295.402 0.976 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033264222 818681287 /nfs/dbraw/zinc/68/12/87/818681287.db2.gz BIPNMRXTQILKAJ-CYBMUJFWSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033264222 818681292 /nfs/dbraw/zinc/68/12/92/818681292.db2.gz BIPNMRXTQILKAJ-CYBMUJFWSA-N 2 1 262.357 0.910 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001036113741 819690240 /nfs/dbraw/zinc/69/02/40/819690240.db2.gz SSMGHRLDOTXLEL-JSGCOSHPSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080787707 820638747 /nfs/dbraw/zinc/63/87/47/820638747.db2.gz OOMGTRODSFTZEA-CHWSQXEVSA-N 2 1 261.369 0.152 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694818 820825884 /nfs/dbraw/zinc/82/58/84/820825884.db2.gz RPQPHAFKCYMEJV-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694818 820825896 /nfs/dbraw/zinc/82/58/96/820825896.db2.gz RPQPHAFKCYMEJV-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694818 820825907 /nfs/dbraw/zinc/82/59/07/820825907.db2.gz RPQPHAFKCYMEJV-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133551 820906223 /nfs/dbraw/zinc/90/62/23/820906223.db2.gz GSFZDGSEOWCELG-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133551 820906235 /nfs/dbraw/zinc/90/62/35/820906235.db2.gz GSFZDGSEOWCELG-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084230696 821247430 /nfs/dbraw/zinc/24/74/30/821247430.db2.gz DLOZCENKROEDIS-MGPQQGTHSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084230696 821247438 /nfs/dbraw/zinc/24/74/38/821247438.db2.gz DLOZCENKROEDIS-MGPQQGTHSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084230696 821247447 /nfs/dbraw/zinc/24/74/47/821247447.db2.gz DLOZCENKROEDIS-MGPQQGTHSA-N 2 1 263.385 0.799 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001084661976 821340371 /nfs/dbraw/zinc/34/03/71/821340371.db2.gz QBADIAIMLFRZPK-RRFJBIMHSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001084661976 821340375 /nfs/dbraw/zinc/34/03/75/821340375.db2.gz QBADIAIMLFRZPK-RRFJBIMHSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001084661976 821340385 /nfs/dbraw/zinc/34/03/85/821340385.db2.gz QBADIAIMLFRZPK-RRFJBIMHSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001084661976 821340395 /nfs/dbraw/zinc/34/03/95/821340395.db2.gz QBADIAIMLFRZPK-RRFJBIMHSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084773143 821387752 /nfs/dbraw/zinc/38/77/52/821387752.db2.gz FBIQYVKAWXWYNR-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084773143 821387762 /nfs/dbraw/zinc/38/77/62/821387762.db2.gz FBIQYVKAWXWYNR-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084773143 821387766 /nfs/dbraw/zinc/38/77/66/821387766.db2.gz FBIQYVKAWXWYNR-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084773143 821387775 /nfs/dbraw/zinc/38/77/75/821387775.db2.gz FBIQYVKAWXWYNR-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084773143 821387783 /nfs/dbraw/zinc/38/77/83/821387783.db2.gz FBIQYVKAWXWYNR-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC#C)C[C@H]32)CC1 ZINC001084851296 821409811 /nfs/dbraw/zinc/40/98/11/821409811.db2.gz WHGJJVJSGGUADQ-IAGOWNOFSA-N 2 1 299.418 0.498 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC#C)C[C@H]32)CC1 ZINC001084851296 821409814 /nfs/dbraw/zinc/40/98/14/821409814.db2.gz WHGJJVJSGGUADQ-IAGOWNOFSA-N 2 1 299.418 0.498 20 30 CCEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084910787 821428558 /nfs/dbraw/zinc/42/85/58/821428558.db2.gz BTDVZXAXQSHPMI-ILXRZTDVSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084910787 821428565 /nfs/dbraw/zinc/42/85/65/821428565.db2.gz BTDVZXAXQSHPMI-ILXRZTDVSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910787 821428568 /nfs/dbraw/zinc/42/85/68/821428568.db2.gz BTDVZXAXQSHPMI-ILXRZTDVSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910787 821428573 /nfs/dbraw/zinc/42/85/73/821428573.db2.gz BTDVZXAXQSHPMI-ILXRZTDVSA-N 2 1 293.411 0.426 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001085423703 821680991 /nfs/dbraw/zinc/68/09/91/821680991.db2.gz CLLBOJBIJOFYEM-ZIAGYGMSSA-N 2 1 274.368 0.842 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001086197367 822150937 /nfs/dbraw/zinc/15/09/37/822150937.db2.gz FFYOHCQBFZJLSL-YIYPIFLZSA-N 2 1 265.401 0.855 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001086390132 822234249 /nfs/dbraw/zinc/23/42/49/822234249.db2.gz CQPPPMVGHBZPLM-JYJNAYRXSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001086390132 822234256 /nfs/dbraw/zinc/23/42/56/822234256.db2.gz CQPPPMVGHBZPLM-JYJNAYRXSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCC ZINC001129770432 837558622 /nfs/dbraw/zinc/55/86/22/837558622.db2.gz GIEAAGNWUZEVNS-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCC ZINC001129770432 837558630 /nfs/dbraw/zinc/55/86/30/837558630.db2.gz GIEAAGNWUZEVNS-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421971 837788025 /nfs/dbraw/zinc/78/80/25/837788025.db2.gz RBNZMGANWVJXOC-LBPRGKRZSA-N 2 1 298.431 0.113 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109402391 836672929 /nfs/dbraw/zinc/67/29/29/836672929.db2.gz PMRQTFMTZHUYSU-CBBWQLFWSA-N 2 1 275.396 0.681 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109402391 836672931 /nfs/dbraw/zinc/67/29/31/836672931.db2.gz PMRQTFMTZHUYSU-CBBWQLFWSA-N 2 1 275.396 0.681 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109731893 836720995 /nfs/dbraw/zinc/72/09/95/836720995.db2.gz RKSRXLFMAMQTTF-RFGFWPKPSA-N 2 1 263.385 0.681 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109731893 836721001 /nfs/dbraw/zinc/72/10/01/836721001.db2.gz RKSRXLFMAMQTTF-RFGFWPKPSA-N 2 1 263.385 0.681 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086550492 836863862 /nfs/dbraw/zinc/86/38/62/836863862.db2.gz KFESHPYURVMYCL-MGPQQGTHSA-N 2 1 265.401 0.999 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090491343 837893354 /nfs/dbraw/zinc/89/33/54/837893354.db2.gz ZRDRFXOSAUSCFZ-KGLIPLIRSA-N 2 1 295.427 0.598 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132264761 838348575 /nfs/dbraw/zinc/34/85/75/838348575.db2.gz BCMMLUHMFOBSFB-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135030016 839141903 /nfs/dbraw/zinc/14/19/03/839141903.db2.gz WISLHVDELQDZPH-NWDGAFQWSA-N 2 1 262.357 0.698 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352810 839224277 /nfs/dbraw/zinc/22/42/77/839224277.db2.gz UCIYLCYDDBWFGI-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135692186 839362976 /nfs/dbraw/zinc/36/29/76/839362976.db2.gz GXWVBMJZHUCZGI-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135882674 839454934 /nfs/dbraw/zinc/45/49/34/839454934.db2.gz QXKJJEQLYVABPM-QWHCGFSZSA-N 2 1 253.390 0.834 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135892785 839455217 /nfs/dbraw/zinc/45/52/17/839455217.db2.gz ZZOYDVHVQOUWRV-UHFFFAOYSA-N 2 1 283.335 0.610 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650381 844441685 /nfs/dbraw/zinc/44/16/85/844441685.db2.gz IFRBLLYTORGEAM-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN(C(C)=O)C1 ZINC001246304195 839777913 /nfs/dbraw/zinc/77/79/13/839777913.db2.gz KYUVXNGDZFPOCE-KBPBESRZSA-N 2 1 297.399 0.424 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)CC[N@H+]2CC[C@@H](F)C2)CC1 ZINC001136863368 839789034 /nfs/dbraw/zinc/78/90/34/839789034.db2.gz ZBDHGLZXHNJSJA-CQSZACIVSA-N 2 1 281.375 0.588 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001136863368 839789044 /nfs/dbraw/zinc/78/90/44/839789044.db2.gz ZBDHGLZXHNJSJA-CQSZACIVSA-N 2 1 281.375 0.588 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)CC[NH+]2CC[C@@H](F)C2)CC1 ZINC001136863368 839789046 /nfs/dbraw/zinc/78/90/46/839789046.db2.gz ZBDHGLZXHNJSJA-CQSZACIVSA-N 2 1 281.375 0.588 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)CC[NH+]2CC[C@@H](F)C2)CC1 ZINC001136863368 839789054 /nfs/dbraw/zinc/78/90/54/839789054.db2.gz ZBDHGLZXHNJSJA-CQSZACIVSA-N 2 1 281.375 0.588 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001091100315 840055081 /nfs/dbraw/zinc/05/50/81/840055081.db2.gz PMYIJTILSVUAFJ-JXQTWKCFSA-N 2 1 263.385 0.588 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171217498 840126899 /nfs/dbraw/zinc/12/68/99/840126899.db2.gz OAVUGKCUXYJROB-AWEZNQCLSA-N 2 1 281.400 0.074 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210703 840762759 /nfs/dbraw/zinc/76/27/59/840762759.db2.gz SLZSQEGTXWCURH-UHFFFAOYSA-N 2 1 251.374 0.658 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148643171 840862338 /nfs/dbraw/zinc/86/23/38/840862338.db2.gz SSZFTFXFWRIHFN-UHFFFAOYSA-N 2 1 257.378 0.237 20 30 CCEDMP N#Cc1ccc(-c2noc([C@H]([NH3+])CCC[NH3+])n2)nc1 ZINC001247506679 840982638 /nfs/dbraw/zinc/98/26/38/840982638.db2.gz DXIDUCKXLMJNJN-SECBINFHSA-N 2 1 258.285 0.742 20 30 CCEDMP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CCC1(C)C ZINC000712622889 841101618 /nfs/dbraw/zinc/10/16/18/841101618.db2.gz QVSQSGSJEPCBAK-LBPRGKRZSA-N 2 1 266.389 0.950 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093195136 841172341 /nfs/dbraw/zinc/17/23/41/841172341.db2.gz LBNVUWPLEGZWHC-QLFBSQMISA-N 2 1 277.412 0.646 20 30 CCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093195136 841172346 /nfs/dbraw/zinc/17/23/46/841172346.db2.gz LBNVUWPLEGZWHC-QLFBSQMISA-N 2 1 277.412 0.646 20 30 CCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093195136 841172349 /nfs/dbraw/zinc/17/23/49/841172349.db2.gz LBNVUWPLEGZWHC-QLFBSQMISA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036895871 841663952 /nfs/dbraw/zinc/66/39/52/841663952.db2.gz FWJYWKVDYCGBJA-CABCVRRESA-N 2 1 275.396 0.638 20 30 CCEDMP C=CCOC1CCC([NH2+]C[C@@H](C[NH3+])C(=O)OC)CC1 ZINC001173315669 842051448 /nfs/dbraw/zinc/05/14/48/842051448.db2.gz OXTCTSDCXPDAGD-PNESKVBLSA-N 2 1 270.373 0.838 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169698 845796552 /nfs/dbraw/zinc/79/65/52/845796552.db2.gz COMUBWATZFAATJ-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169577 845797049 /nfs/dbraw/zinc/79/70/49/845797049.db2.gz AJFWXZRLGAQVRA-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193500038 846086572 /nfs/dbraw/zinc/08/65/72/846086572.db2.gz OOLAWPFIFBOSPG-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001751 846201514 /nfs/dbraw/zinc/20/15/14/846201514.db2.gz KDVPATGBVAMNQE-GJZGRUSLSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194001751 846201522 /nfs/dbraw/zinc/20/15/22/846201522.db2.gz KDVPATGBVAMNQE-GJZGRUSLSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001751 846201531 /nfs/dbraw/zinc/20/15/31/846201531.db2.gz KDVPATGBVAMNQE-GJZGRUSLSA-N 2 1 295.427 0.673 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194244725 846248727 /nfs/dbraw/zinc/24/87/27/846248727.db2.gz XQGGKRYFNKFLBS-ZIAGYGMSSA-N 2 1 297.443 0.844 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203794819 846302578 /nfs/dbraw/zinc/30/25/78/846302578.db2.gz ZCMQHHBVQMOFBR-KGLIPLIRSA-N 2 1 277.412 0.977 20 30 CCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198028686 847029700 /nfs/dbraw/zinc/02/97/00/847029700.db2.gz GGEWAPXENLMVPS-RBSFLKMASA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198028686 847029708 /nfs/dbraw/zinc/02/97/08/847029708.db2.gz GGEWAPXENLMVPS-RBSFLKMASA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001198039112 847036670 /nfs/dbraw/zinc/03/66/70/847036670.db2.gz ZUWBOEZXMJMUSX-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001251890357 847349968 /nfs/dbraw/zinc/34/99/68/847349968.db2.gz ADATWFMCDGAFCW-AWEZNQCLSA-N 2 1 252.358 0.214 20 30 CCEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199788711 847433192 /nfs/dbraw/zinc/43/31/92/847433192.db2.gz YCCWPXHLHWIJJB-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCO)CC1 ZINC001201094930 847719731 /nfs/dbraw/zinc/71/97/31/847719731.db2.gz YIVXWNKDKNLXSP-HNNXBMFYSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCO)CC1 ZINC001201094930 847719742 /nfs/dbraw/zinc/71/97/42/847719742.db2.gz YIVXWNKDKNLXSP-HNNXBMFYSA-N 2 1 293.411 0.047 20 30 CCEDMP C=C[C@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273882497 847727349 /nfs/dbraw/zinc/72/73/49/847727349.db2.gz ZPAZQUCLHDFHPM-HOCLYGCPSA-N 2 1 295.427 0.552 20 30 CCEDMP C=CCOC[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001252470379 847976930 /nfs/dbraw/zinc/97/69/30/847976930.db2.gz KITXKWORDZMIMB-ZIAGYGMSSA-N 2 1 254.374 0.578 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001252470379 847976933 /nfs/dbraw/zinc/97/69/33/847976933.db2.gz KITXKWORDZMIMB-ZIAGYGMSSA-N 2 1 254.374 0.578 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001252470379 847976940 /nfs/dbraw/zinc/97/69/40/847976940.db2.gz KITXKWORDZMIMB-ZIAGYGMSSA-N 2 1 254.374 0.578 20 30 CCEDMP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001275416313 848715842 /nfs/dbraw/zinc/71/58/42/848715842.db2.gz UVDMQLAGPIWWHW-ZIAGYGMSSA-N 2 1 295.427 0.603 20 30 CCEDMP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001275977127 848879891 /nfs/dbraw/zinc/87/98/91/848879891.db2.gz NJBUGKBJGDGKCD-CHWSQXEVSA-N 2 1 253.390 0.786 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114827232 849411140 /nfs/dbraw/zinc/41/11/40/849411140.db2.gz YERRJKHQEOYHJT-BARDWOONSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCOC)CC1 ZINC001039042843 850135352 /nfs/dbraw/zinc/13/53/52/850135352.db2.gz XTNDVFBOINHBNC-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041356912 850436413 /nfs/dbraw/zinc/43/64/13/850436413.db2.gz DEAQIUITHBJZMF-NVXWUHKLSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCF)C2)CC1 ZINC001046850609 851630126 /nfs/dbraw/zinc/63/01/26/851630126.db2.gz XTNPJZZFFWBCEC-INIZCTEOSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCF)C2)CC1 ZINC001046850609 851630132 /nfs/dbraw/zinc/63/01/32/851630132.db2.gz XTNPJZZFFWBCEC-INIZCTEOSA-N 2 1 295.402 0.882 20 30 CCEDMP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047386034 851743972 /nfs/dbraw/zinc/74/39/72/851743972.db2.gz KMLMEJGDWPPBGC-MQYQWHSLSA-N 2 1 281.400 0.016 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047386034 851743973 /nfs/dbraw/zinc/74/39/73/851743973.db2.gz KMLMEJGDWPPBGC-MQYQWHSLSA-N 2 1 281.400 0.016 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047386034 851743974 /nfs/dbraw/zinc/74/39/74/851743974.db2.gz KMLMEJGDWPPBGC-MQYQWHSLSA-N 2 1 281.400 0.016 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047386034 851743975 /nfs/dbraw/zinc/74/39/75/851743975.db2.gz KMLMEJGDWPPBGC-MQYQWHSLSA-N 2 1 281.400 0.016 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047386034 851743976 /nfs/dbraw/zinc/74/39/76/851743976.db2.gz KMLMEJGDWPPBGC-MQYQWHSLSA-N 2 1 281.400 0.016 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001483409265 895544732 /nfs/dbraw/zinc/54/47/32/895544732.db2.gz JQIHYMWIWZBHAN-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048864278 852086914 /nfs/dbraw/zinc/08/69/14/852086914.db2.gz VHPPABSJNJRTCI-QLFBSQMISA-N 2 1 298.390 0.784 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048864278 852086922 /nfs/dbraw/zinc/08/69/22/852086922.db2.gz VHPPABSJNJRTCI-QLFBSQMISA-N 2 1 298.390 0.784 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048871141 852090254 /nfs/dbraw/zinc/09/02/54/852090254.db2.gz JNEQXANXOAQFNT-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871141 852090257 /nfs/dbraw/zinc/09/02/57/852090257.db2.gz JNEQXANXOAQFNT-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871141 852090259 /nfs/dbraw/zinc/09/02/59/852090259.db2.gz JNEQXANXOAQFNT-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001048875652 852093027 /nfs/dbraw/zinc/09/30/27/852093027.db2.gz GWJATRJDVYZZMK-XHSDSOJGSA-N 2 1 291.439 0.986 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048896889 852102237 /nfs/dbraw/zinc/10/22/37/852102237.db2.gz IVWYXYQLWLYZQQ-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001048896889 852102242 /nfs/dbraw/zinc/10/22/42/852102242.db2.gz IVWYXYQLWLYZQQ-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001048896889 852102249 /nfs/dbraw/zinc/10/22/49/852102249.db2.gz IVWYXYQLWLYZQQ-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3ccnc3)C[C@H]2C1 ZINC001049087481 852160369 /nfs/dbraw/zinc/16/03/69/852160369.db2.gz RFDJZJRWCQDCMJ-KFWWJZLASA-N 2 1 286.379 0.858 20 30 CCEDMP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001097847046 852630650 /nfs/dbraw/zinc/63/06/50/852630650.db2.gz RUVIXAQWOQSJRD-TUVASFSCSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001097847046 852630654 /nfs/dbraw/zinc/63/06/54/852630654.db2.gz RUVIXAQWOQSJRD-TUVASFSCSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001097847046 852630660 /nfs/dbraw/zinc/63/06/60/852630660.db2.gz RUVIXAQWOQSJRD-TUVASFSCSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001097847046 852630668 /nfs/dbraw/zinc/63/06/68/852630668.db2.gz RUVIXAQWOQSJRD-TUVASFSCSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050139530 853323055 /nfs/dbraw/zinc/32/30/55/853323055.db2.gz BMJHLYCOIXCOSN-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001051241316 853553410 /nfs/dbraw/zinc/55/34/10/853553410.db2.gz LKEULNHCTWCPTL-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001051241316 853553417 /nfs/dbraw/zinc/55/34/17/853553417.db2.gz LKEULNHCTWCPTL-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001051241316 853553420 /nfs/dbraw/zinc/55/34/20/853553420.db2.gz LKEULNHCTWCPTL-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001051241316 853553425 /nfs/dbraw/zinc/55/34/25/853553425.db2.gz LKEULNHCTWCPTL-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073554646 854591974 /nfs/dbraw/zinc/59/19/74/854591974.db2.gz KOGLWIFENQXJOY-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073554646 854591978 /nfs/dbraw/zinc/59/19/78/854591978.db2.gz KOGLWIFENQXJOY-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073554646 854591982 /nfs/dbraw/zinc/59/19/82/854591982.db2.gz KOGLWIFENQXJOY-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001098480076 854868281 /nfs/dbraw/zinc/86/82/81/854868281.db2.gz OXSMYCNESQMRSQ-HNNXBMFYSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971477 855055806 /nfs/dbraw/zinc/05/58/06/855055806.db2.gz IRPHSRDUVHNLSA-QWHCGFSZSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099989657 855062981 /nfs/dbraw/zinc/06/29/81/855062981.db2.gz TUTBUGCKVVKBJJ-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100009538 855070176 /nfs/dbraw/zinc/07/01/76/855070176.db2.gz ZXADPQHESUCAFF-KGLIPLIRSA-N 2 1 297.443 0.702 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001100016996 855072862 /nfs/dbraw/zinc/07/28/62/855072862.db2.gz CMPFDFLKSGKYQE-KGLIPLIRSA-N 2 1 292.383 0.470 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100066330 855089988 /nfs/dbraw/zinc/08/99/88/855089988.db2.gz HCYYMTKYJWWZRF-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100066330 855089996 /nfs/dbraw/zinc/08/99/96/855089996.db2.gz HCYYMTKYJWWZRF-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100066330 855090002 /nfs/dbraw/zinc/09/00/02/855090002.db2.gz HCYYMTKYJWWZRF-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100126823 855104726 /nfs/dbraw/zinc/10/47/26/855104726.db2.gz NMGKQIRLZXQBBG-GJZGRUSLSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101036628 855256300 /nfs/dbraw/zinc/25/63/00/855256300.db2.gz WHWMLAFOQCXJDL-UHFFFAOYSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102287002 855425935 /nfs/dbraw/zinc/42/59/35/855425935.db2.gz IIYIBXCFMBJAPF-ZIAGYGMSSA-N 2 1 277.412 0.646 20 30 CCEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115241064 855653920 /nfs/dbraw/zinc/65/39/20/855653920.db2.gz BDRYAMKZHJKPFH-KBXIAJHMSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115241064 855653924 /nfs/dbraw/zinc/65/39/24/855653924.db2.gz BDRYAMKZHJKPFH-KBXIAJHMSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115241064 855653928 /nfs/dbraw/zinc/65/39/28/855653928.db2.gz BDRYAMKZHJKPFH-KBXIAJHMSA-N 2 1 277.412 0.951 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115303620 855660721 /nfs/dbraw/zinc/66/07/21/855660721.db2.gz HBDRKWRVJUPHQC-LTIDMASMSA-N 2 1 297.402 0.969 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115303620 855660723 /nfs/dbraw/zinc/66/07/23/855660723.db2.gz HBDRKWRVJUPHQC-LTIDMASMSA-N 2 1 297.402 0.969 20 30 CCEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001324994158 913138048 /nfs/dbraw/zinc/13/80/48/913138048.db2.gz YUUSDTVENGIITO-CQSZACIVSA-N 2 1 293.411 0.359 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001394622380 913318091 /nfs/dbraw/zinc/31/80/91/913318091.db2.gz WOEMAJAAGCBQCO-RYUDHWBXSA-N 2 1 289.807 0.290 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001394622380 913318101 /nfs/dbraw/zinc/31/81/01/913318101.db2.gz WOEMAJAAGCBQCO-RYUDHWBXSA-N 2 1 289.807 0.290 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001420177431 892315718 /nfs/dbraw/zinc/31/57/18/892315718.db2.gz XDOYHQLSTLAFMA-ZYHUDNBSSA-N 2 1 289.807 0.147 20 30 CCEDMP C#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481424051 892640465 /nfs/dbraw/zinc/64/04/65/892640465.db2.gz NBKLHBUSYVSIJG-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481424051 892640471 /nfs/dbraw/zinc/64/04/71/892640471.db2.gz NBKLHBUSYVSIJG-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481424051 892640477 /nfs/dbraw/zinc/64/04/77/892640477.db2.gz NBKLHBUSYVSIJG-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481530696 892778770 /nfs/dbraw/zinc/77/87/70/892778770.db2.gz OHLOVRPQVXEJCY-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481530696 892778775 /nfs/dbraw/zinc/77/87/75/892778775.db2.gz OHLOVRPQVXEJCY-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001481530696 892778785 /nfs/dbraw/zinc/77/87/85/892778785.db2.gz OHLOVRPQVXEJCY-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481530696 892778793 /nfs/dbraw/zinc/77/87/93/892778793.db2.gz OHLOVRPQVXEJCY-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001481798751 893162871 /nfs/dbraw/zinc/16/28/71/893162871.db2.gz UJJDQYAWGJWYRU-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001481798751 893162875 /nfs/dbraw/zinc/16/28/75/893162875.db2.gz UJJDQYAWGJWYRU-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482841008 894644001 /nfs/dbraw/zinc/64/40/01/894644001.db2.gz BLKNDSGFIHXIOU-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001483319072 895444603 /nfs/dbraw/zinc/44/46/03/895444603.db2.gz HBUYRRCGRCWOSV-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483319072 895444610 /nfs/dbraw/zinc/44/46/10/895444610.db2.gz HBUYRRCGRCWOSV-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483319072 895444619 /nfs/dbraw/zinc/44/46/19/895444619.db2.gz HBUYRRCGRCWOSV-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001483383057 895521547 /nfs/dbraw/zinc/52/15/47/895521547.db2.gz DZTZUVQJCSQKOC-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483383057 895521554 /nfs/dbraw/zinc/52/15/54/895521554.db2.gz DZTZUVQJCSQKOC-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483383057 895521563 /nfs/dbraw/zinc/52/15/63/895521563.db2.gz DZTZUVQJCSQKOC-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001484246268 896276682 /nfs/dbraw/zinc/27/66/82/896276682.db2.gz HTNKYSHEQNXUOL-ZFWWWQNUSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484290981 896319639 /nfs/dbraw/zinc/31/96/39/896319639.db2.gz CYYCAILACMUBJS-KBPBESRZSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001484290981 896319646 /nfs/dbraw/zinc/31/96/46/896319646.db2.gz CYYCAILACMUBJS-KBPBESRZSA-N 2 1 295.427 0.456 20 30 CCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001484482008 896432247 /nfs/dbraw/zinc/43/22/47/896432247.db2.gz DHMRFZNMUYNDIN-HNNXBMFYSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001484485979 896441154 /nfs/dbraw/zinc/44/11/54/896441154.db2.gz DBOCMUNPIOPGNY-OAHLLOKOSA-N 2 1 295.427 0.151 20 30 CCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001485340642 896967527 /nfs/dbraw/zinc/96/75/27/896967527.db2.gz XIQBWSUZQFXYBM-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001485505898 897090283 /nfs/dbraw/zinc/09/02/83/897090283.db2.gz IYGAEOJNDMMTNF-GXTWGEPZSA-N 2 1 283.391 0.736 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001494079442 897234665 /nfs/dbraw/zinc/23/46/65/897234665.db2.gz RKJCQTLKZXUWDP-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001494079442 897234674 /nfs/dbraw/zinc/23/46/74/897234674.db2.gz RKJCQTLKZXUWDP-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001494079442 897234684 /nfs/dbraw/zinc/23/46/84/897234684.db2.gz RKJCQTLKZXUWDP-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001494079442 897234691 /nfs/dbraw/zinc/23/46/91/897234691.db2.gz RKJCQTLKZXUWDP-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001494079442 897234704 /nfs/dbraw/zinc/23/47/04/897234704.db2.gz RKJCQTLKZXUWDP-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001032412071 897507799 /nfs/dbraw/zinc/50/77/99/897507799.db2.gz HCZLIJAQCDYJSE-ZQDZILKHSA-N 2 1 275.396 0.635 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C(C)C ZINC001032453540 897588978 /nfs/dbraw/zinc/58/89/78/897588978.db2.gz DVRBCYGAZWGUPY-KKUMJFAQSA-N 2 1 275.396 0.778 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212409587 897889158 /nfs/dbraw/zinc/88/91/58/897889158.db2.gz IOMSUOMDMYKSIL-MCIONIFRSA-N 2 1 281.400 0.328 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212409587 897889168 /nfs/dbraw/zinc/88/91/68/897889168.db2.gz IOMSUOMDMYKSIL-MCIONIFRSA-N 2 1 281.400 0.328 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001486295440 898761891 /nfs/dbraw/zinc/76/18/91/898761891.db2.gz PTGUIAVBTPCJGM-CABCVRRESA-N 2 1 297.443 0.703 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001486519785 898918569 /nfs/dbraw/zinc/91/85/69/898918569.db2.gz XLGLFZZRCNBRHK-OAHLLOKOSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001486519785 898918584 /nfs/dbraw/zinc/91/85/84/898918584.db2.gz XLGLFZZRCNBRHK-OAHLLOKOSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001486519785 898918596 /nfs/dbraw/zinc/91/85/96/898918596.db2.gz XLGLFZZRCNBRHK-OAHLLOKOSA-N 2 1 275.396 0.710 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC001327019833 914319518 /nfs/dbraw/zinc/31/95/18/914319518.db2.gz QHWQFROSTHFYQP-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001280593214 900972197 /nfs/dbraw/zinc/97/21/97/900972197.db2.gz ABZZJTRITJOSDS-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001329550161 903807403 /nfs/dbraw/zinc/80/74/03/903807403.db2.gz PNRQKADXTZBVKT-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001329550161 903807410 /nfs/dbraw/zinc/80/74/10/903807410.db2.gz PNRQKADXTZBVKT-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001329550161 903807419 /nfs/dbraw/zinc/80/74/19/903807419.db2.gz PNRQKADXTZBVKT-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001491566383 904007501 /nfs/dbraw/zinc/00/75/01/904007501.db2.gz SGOXMYICCSTQQZ-GXTWGEPZSA-N 2 1 288.395 0.872 20 30 CCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001281184437 904238957 /nfs/dbraw/zinc/23/89/57/904238957.db2.gz JXAKBEFEWBHMPG-ZBFHGGJFSA-N 2 1 295.427 0.457 20 30 CCEDMP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001281282947 904257141 /nfs/dbraw/zinc/25/71/41/904257141.db2.gz LTWMVHQKKQDZAD-AWEZNQCLSA-N 2 1 295.427 0.769 20 30 CCEDMP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001281282948 904258774 /nfs/dbraw/zinc/25/87/74/904258774.db2.gz LTWMVHQKKQDZAD-CQSZACIVSA-N 2 1 295.427 0.769 20 30 CCEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001283189965 904740988 /nfs/dbraw/zinc/74/09/88/904740988.db2.gz BTINEVNQRFWOFT-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001283632016 904939464 /nfs/dbraw/zinc/93/94/64/904939464.db2.gz NAEBIHBMKUSIRR-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001283755490 904993235 /nfs/dbraw/zinc/99/32/35/904993235.db2.gz IJLGRPKCELBHLH-QWHCGFSZSA-N 2 1 269.389 0.112 20 30 CCEDMP C=CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001284869527 905449121 /nfs/dbraw/zinc/44/91/21/905449121.db2.gz UYZJWFYMZWESCD-ZIAGYGMSSA-N 2 1 283.416 0.577 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001491752236 907547271 /nfs/dbraw/zinc/54/72/71/907547271.db2.gz XREMVCNGDLDHJW-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317192194 907818232 /nfs/dbraw/zinc/81/82/32/907818232.db2.gz CRILIEUVJKFWMV-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317344155 908166364 /nfs/dbraw/zinc/16/63/64/908166364.db2.gz QAUHXGLPNRNNQX-UONOGXRCSA-N 2 1 263.385 0.400 20 30 CCEDMP Cc1[nH+]ccn1CCCCNC(=O)NCC#CC[NH+](C)C ZINC001312070920 908581451 /nfs/dbraw/zinc/58/14/51/908581451.db2.gz BZONAEHLGGTFHE-UHFFFAOYSA-N 2 1 291.399 0.836 20 30 CCEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001316866738 908599200 /nfs/dbraw/zinc/59/92/00/908599200.db2.gz SPPGFZJZWABBIW-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001316866738 908599210 /nfs/dbraw/zinc/59/92/10/908599210.db2.gz SPPGFZJZWABBIW-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001316866738 908599222 /nfs/dbraw/zinc/59/92/22/908599222.db2.gz SPPGFZJZWABBIW-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001316866738 908599232 /nfs/dbraw/zinc/59/92/32/908599232.db2.gz SPPGFZJZWABBIW-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001341569364 908614365 /nfs/dbraw/zinc/61/43/65/908614365.db2.gz MRTUPPASGSVYIW-MJBXVCDLSA-N 2 1 265.401 0.692 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001341569364 908614372 /nfs/dbraw/zinc/61/43/72/908614372.db2.gz MRTUPPASGSVYIW-MJBXVCDLSA-N 2 1 265.401 0.692 20 30 CCEDMP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317011114 908916189 /nfs/dbraw/zinc/91/61/89/908916189.db2.gz JFNWEPSNVXQPRA-CABCVRRESA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317011114 908916201 /nfs/dbraw/zinc/91/62/01/908916201.db2.gz JFNWEPSNVXQPRA-CABCVRRESA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)C[NH2+][C@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001317027401 908927562 /nfs/dbraw/zinc/92/75/62/908927562.db2.gz LHSNGIUUSGKDJX-OAHLLOKOSA-N 2 1 295.427 0.769 20 30 CCEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317316567 909141038 /nfs/dbraw/zinc/14/10/38/909141038.db2.gz JFZGTHCZLMIEHX-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317316567 909141046 /nfs/dbraw/zinc/14/10/46/909141046.db2.gz JFZGTHCZLMIEHX-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001317335678 909149697 /nfs/dbraw/zinc/14/96/97/909149697.db2.gz FKYJXNKZTHVYBM-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@H](C)OC)CC1 ZINC001317471390 909251020 /nfs/dbraw/zinc/25/10/20/909251020.db2.gz IBDSVOKJUGVMML-AWEZNQCLSA-N 2 1 295.427 0.415 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001317527600 909296442 /nfs/dbraw/zinc/29/64/42/909296442.db2.gz QFTBPMIJAKWJRO-AWEZNQCLSA-N 2 1 274.368 0.653 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001317527600 909296454 /nfs/dbraw/zinc/29/64/54/909296454.db2.gz QFTBPMIJAKWJRO-AWEZNQCLSA-N 2 1 274.368 0.653 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001318387398 909733201 /nfs/dbraw/zinc/73/32/01/909733201.db2.gz SFMXBQYYFZXSSM-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001318387398 909733207 /nfs/dbraw/zinc/73/32/07/909733207.db2.gz SFMXBQYYFZXSSM-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001318387398 909733224 /nfs/dbraw/zinc/73/32/24/909733224.db2.gz SFMXBQYYFZXSSM-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001318387398 909733239 /nfs/dbraw/zinc/73/32/39/909733239.db2.gz SFMXBQYYFZXSSM-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C(C)C ZINC001321098571 911086783 /nfs/dbraw/zinc/08/67/83/911086783.db2.gz WYLOPANALUANJZ-GXMNPTEKSA-N 2 1 263.385 0.754 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C(C)C ZINC001321098571 911086799 /nfs/dbraw/zinc/08/67/99/911086799.db2.gz WYLOPANALUANJZ-GXMNPTEKSA-N 2 1 263.385 0.754 20 30 CCEDMP C#CCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001327978231 914904109 /nfs/dbraw/zinc/90/41/09/914904109.db2.gz MEIPLXQQPZKCJQ-CHWSQXEVSA-N 2 1 251.374 0.588 20 30 CCEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001328426966 915186450 /nfs/dbraw/zinc/18/64/50/915186450.db2.gz KARACBIPLXQPOG-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001328672913 915351112 /nfs/dbraw/zinc/35/11/12/915351112.db2.gz UEVFIZNWYPVXSN-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001329903005 916267641 /nfs/dbraw/zinc/26/76/41/916267641.db2.gz ZSYMJRNTIZMNRX-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001329903005 916267655 /nfs/dbraw/zinc/26/76/55/916267655.db2.gz ZSYMJRNTIZMNRX-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001330686995 916792502 /nfs/dbraw/zinc/79/25/02/916792502.db2.gz TVAUXOLJEATLTB-IHRRRGAJSA-N 2 1 263.385 0.446 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC001332031866 917814052 /nfs/dbraw/zinc/81/40/52/917814052.db2.gz FZRNAXKJPALIFT-AWEZNQCLSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC001332031866 917814064 /nfs/dbraw/zinc/81/40/64/917814064.db2.gz FZRNAXKJPALIFT-AWEZNQCLSA-N 2 1 278.400 0.287 20 30 CCEDMP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001332528994 918256865 /nfs/dbraw/zinc/25/68/65/918256865.db2.gz LAMIGGDGARUJEO-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001332550247 918269725 /nfs/dbraw/zinc/26/97/25/918269725.db2.gz GFEOIOCTXBQMRR-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001332634501 918332829 /nfs/dbraw/zinc/33/28/29/918332829.db2.gz XGYGQIMGFCLHDL-LSDHHAIUSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001332634501 918332840 /nfs/dbraw/zinc/33/28/40/918332840.db2.gz XGYGQIMGFCLHDL-LSDHHAIUSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001332634501 918332854 /nfs/dbraw/zinc/33/28/54/918332854.db2.gz XGYGQIMGFCLHDL-LSDHHAIUSA-N 2 1 297.443 0.798 20 30 CCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001332664564 918363906 /nfs/dbraw/zinc/36/39/06/918363906.db2.gz VMOMKFXNZGZLBY-CQSZACIVSA-N 2 1 295.427 0.103 20 30 CCEDMP C#CC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCOC ZINC001332914265 918527460 /nfs/dbraw/zinc/52/74/60/918527460.db2.gz RLJHDXRTXLSHAH-OAHLLOKOSA-N 2 1 293.411 0.026 20 30 CCEDMP C#CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCOC ZINC001332914265 918527471 /nfs/dbraw/zinc/52/74/71/918527471.db2.gz RLJHDXRTXLSHAH-OAHLLOKOSA-N 2 1 293.411 0.026 20 30 CCEDMP C#CCNC(=O)CC[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001336812409 921029948 /nfs/dbraw/zinc/02/99/48/921029948.db2.gz UOIMLIXCRJGVHM-VQFNDLOPSA-N 2 1 297.402 0.846 20 30 CCEDMP C#CCNC(=O)CC[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001336812409 921029959 /nfs/dbraw/zinc/02/99/59/921029959.db2.gz UOIMLIXCRJGVHM-VQFNDLOPSA-N 2 1 297.402 0.846 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001345443422 923890678 /nfs/dbraw/zinc/89/06/78/923890678.db2.gz HKAXWRNRFKOOGJ-SECBINFHSA-N 2 1 269.736 0.395 20 30 CCEDMP C[C@@H](CCC#N)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000602542135 362669466 /nfs/dbraw/zinc/66/94/66/362669466.db2.gz UGRBEKHZXMJJMJ-ZDUSSCGKSA-N 2 1 266.389 0.680 20 30 CCEDMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000602875765 362855603 /nfs/dbraw/zinc/85/56/03/362855603.db2.gz ADYDITNWXFOYNY-DZGCQCFKSA-N 2 1 283.416 0.676 20 30 CCEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000602875765 362855611 /nfs/dbraw/zinc/85/56/11/362855611.db2.gz ADYDITNWXFOYNY-DZGCQCFKSA-N 2 1 283.416 0.676 20 30 CCEDMP N#CC1(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)CCC1 ZINC000603257007 363026663 /nfs/dbraw/zinc/02/66/63/363026663.db2.gz QXUVBOCNBHMATB-UHFFFAOYSA-N 2 1 288.399 0.938 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594445913 360312856 /nfs/dbraw/zinc/31/28/56/360312856.db2.gz NJAOKURLLKZLCN-QWHCGFSZSA-N 2 1 266.389 0.998 20 30 CCEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000594446343 360313111 /nfs/dbraw/zinc/31/31/11/360313111.db2.gz REZWRRWRQKZHLI-CYBMUJFWSA-N 2 1 282.388 0.236 20 30 CCEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594448864 360314510 /nfs/dbraw/zinc/31/45/10/360314510.db2.gz XIZOXWSSMONMQT-IGQOVBAYSA-N 2 1 296.415 0.621 20 30 CCEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594448864 360314512 /nfs/dbraw/zinc/31/45/12/360314512.db2.gz XIZOXWSSMONMQT-IGQOVBAYSA-N 2 1 296.415 0.621 20 30 CCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncncc1C#N ZINC000596360998 360884836 /nfs/dbraw/zinc/88/48/36/360884836.db2.gz HVQBQYOCVHSADE-LBPRGKRZSA-N 2 1 276.388 0.454 20 30 CCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncncc1C#N ZINC000596360998 360884841 /nfs/dbraw/zinc/88/48/41/360884841.db2.gz HVQBQYOCVHSADE-LBPRGKRZSA-N 2 1 276.388 0.454 20 30 CCEDMP Cc1cc(C#N)cc(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000596423787 360890232 /nfs/dbraw/zinc/89/02/32/360890232.db2.gz BURCETTZBAZDDC-UHFFFAOYSA-N 2 1 275.400 0.979 20 30 CCEDMP Cc1cc(C#N)cc(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000596423787 360890234 /nfs/dbraw/zinc/89/02/34/360890234.db2.gz BURCETTZBAZDDC-UHFFFAOYSA-N 2 1 275.400 0.979 20 30 CCEDMP C=CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000656479605 412810065 /nfs/dbraw/zinc/81/00/65/412810065.db2.gz VHGQNIPLSQWOAK-KGLIPLIRSA-N 2 1 293.411 0.964 20 30 CCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805922 377478057 /nfs/dbraw/zinc/47/80/57/377478057.db2.gz OTWLBNWHJGANQC-VXGBXAGGSA-N 2 1 251.374 0.902 20 30 CCEDMP CC1CCN(C(=[NH2+])NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000194687736 389101379 /nfs/dbraw/zinc/10/13/79/389101379.db2.gz FNKKCAWFYVQTKR-UHFFFAOYSA-N 2 1 295.431 0.197 20 30 CCEDMP C=CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000342741910 389252474 /nfs/dbraw/zinc/25/24/74/389252474.db2.gz ZHACOKPIAYQBAF-HNNXBMFYSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000342741910 389252476 /nfs/dbraw/zinc/25/24/76/389252476.db2.gz ZHACOKPIAYQBAF-HNNXBMFYSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000342741910 389252479 /nfs/dbraw/zinc/25/24/79/389252479.db2.gz ZHACOKPIAYQBAF-HNNXBMFYSA-N 2 1 297.443 0.967 20 30 CCEDMP C[NH+](C)CCNC(=O)C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343310774 389264360 /nfs/dbraw/zinc/26/43/60/389264360.db2.gz MWQOVBZJXJGQJP-UHFFFAOYSA-N 2 1 278.400 0.680 20 30 CCEDMP CC#CCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367166952 389325030 /nfs/dbraw/zinc/32/50/30/389325030.db2.gz BNVLSHBDCRJHRV-CYBMUJFWSA-N 2 1 278.400 0.477 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1ccnc1 ZINC000264074020 389304560 /nfs/dbraw/zinc/30/45/60/389304560.db2.gz GUYBNQYMVILVMY-GFCCVEGCSA-N 3 1 264.377 0.272 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338394 389985581 /nfs/dbraw/zinc/98/55/81/389985581.db2.gz KVGHWIIJBSGZBJ-BFHYXJOUSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000491453412 390113491 /nfs/dbraw/zinc/11/34/91/390113491.db2.gz RASROOGAYVQZTO-GFCCVEGCSA-N 2 1 289.383 0.521 20 30 CCEDMP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528381499 390739383 /nfs/dbraw/zinc/73/93/83/390739383.db2.gz INXVYZAIUSRPMX-HNNXBMFYSA-N 2 1 295.427 0.820 20 30 CCEDMP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528381499 390739385 /nfs/dbraw/zinc/73/93/85/390739385.db2.gz INXVYZAIUSRPMX-HNNXBMFYSA-N 2 1 295.427 0.820 20 30 CCEDMP C=CC[C@]1(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)CCC[NH2+]1 ZINC000662782561 414789747 /nfs/dbraw/zinc/78/97/47/414789747.db2.gz DDHYTOJLDXXCMJ-ZIAGYGMSSA-N 2 1 269.364 0.845 20 30 CCEDMP C[NH+]=C(NCC1CC1)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262807075 262788392 /nfs/dbraw/zinc/78/83/92/262788392.db2.gz SPLXKPRYQGPNTI-ZDUSSCGKSA-N 2 1 270.446 0.999 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccn1 ZINC000264085696 262867553 /nfs/dbraw/zinc/86/75/53/262867553.db2.gz JPRMNUBWMPZWLW-UHFFFAOYSA-N 2 1 277.372 0.208 20 30 CCEDMP C[C@H]1C[NH+]=C(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)N1 ZINC000285025632 263089303 /nfs/dbraw/zinc/08/93/03/263089303.db2.gz JKHDAKADJJXRQD-SWLSCSKDSA-N 2 1 288.395 0.343 20 30 CCEDMP CN(C)CC[N@H+](C)CCCNC(=[NH2+])Nc1ccccn1 ZINC000288681881 263105526 /nfs/dbraw/zinc/10/55/26/263105526.db2.gz IVEBXXANFFNUNL-UHFFFAOYSA-N 2 1 278.404 0.692 20 30 CCEDMP CN(C)CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccccn1 ZINC000288681881 263105527 /nfs/dbraw/zinc/10/55/27/263105527.db2.gz IVEBXXANFFNUNL-UHFFFAOYSA-N 2 1 278.404 0.692 20 30 CCEDMP C[N@@H+](CCO)C1CCN(C(=O)NC[C@H]2CCC[NH+]2C)CC1 ZINC000331138062 264135140 /nfs/dbraw/zinc/13/51/40/264135140.db2.gz WDSSUYJQYHHGMA-CQSZACIVSA-N 2 1 298.431 0.383 20 30 CCEDMP C[NH+](CCO)C1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000331138062 264135142 /nfs/dbraw/zinc/13/51/42/264135142.db2.gz WDSSUYJQYHHGMA-CQSZACIVSA-N 2 1 298.431 0.383 20 30 CCEDMP C[NH+](CCO)C1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000331138062 264135144 /nfs/dbraw/zinc/13/51/44/264135144.db2.gz WDSSUYJQYHHGMA-CQSZACIVSA-N 2 1 298.431 0.383 20 30 CCEDMP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000262438555 330012892 /nfs/dbraw/zinc/01/28/92/330012892.db2.gz GXZTVWZAXVCLKN-NEPJUHHUSA-N 2 1 266.389 0.506 20 30 CCEDMP CCC[N@@H+](CC)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424141633 330283479 /nfs/dbraw/zinc/28/34/79/330283479.db2.gz HGYGXYYRJZXGRE-GFCCVEGCSA-N 2 1 254.378 0.856 20 30 CCEDMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424157122 330304715 /nfs/dbraw/zinc/30/47/15/330304715.db2.gz PGMFLIZHMJUVFX-VXGBXAGGSA-N 2 1 252.362 0.608 20 30 CCEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000451598917 331035792 /nfs/dbraw/zinc/03/57/92/331035792.db2.gz MFNKEYNFXDTCAR-MJBXVCDLSA-N 2 1 281.400 0.472 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000491069170 332145286 /nfs/dbraw/zinc/14/52/86/332145286.db2.gz UCKBZVZPQXBVAZ-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(CC)CCC[NH+](C)C ZINC000491623668 332247989 /nfs/dbraw/zinc/24/79/89/332247989.db2.gz HMFMBDNBRWXADS-UHFFFAOYSA-N 2 1 282.432 0.925 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC([NH3+])(CC)CC ZINC000491779805 332344507 /nfs/dbraw/zinc/34/45/07/332344507.db2.gz JJFYZTHEADCFQZ-UHFFFAOYSA-N 2 1 268.405 0.758 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000491809193 332361971 /nfs/dbraw/zinc/36/19/71/332361971.db2.gz XJYCBMUOCSDJKG-CHWSQXEVSA-N 2 1 266.389 0.239 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COCCOC)CC1 ZINC000566615344 334657631 /nfs/dbraw/zinc/65/76/31/334657631.db2.gz JWLRNVZMAWLNLC-AWEZNQCLSA-N 2 1 272.389 0.250 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000732052095 581799309 /nfs/dbraw/zinc/79/93/09/581799309.db2.gz HTDQIZZBCDWYFJ-LBPRGKRZSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000732052095 581799311 /nfs/dbraw/zinc/79/93/11/581799311.db2.gz HTDQIZZBCDWYFJ-LBPRGKRZSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000771658026 581817095 /nfs/dbraw/zinc/81/70/95/581817095.db2.gz DAPXVEALPMWJKT-GJZGRUSLSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000771658026 581817098 /nfs/dbraw/zinc/81/70/98/581817098.db2.gz DAPXVEALPMWJKT-GJZGRUSLSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000963177075 612956007 /nfs/dbraw/zinc/95/60/07/612956007.db2.gz HHMJMDMDOILWLJ-YMAMQOFZSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000963177075 612956009 /nfs/dbraw/zinc/95/60/09/612956009.db2.gz HHMJMDMDOILWLJ-YMAMQOFZSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+](C)C1CCC1 ZINC000908435118 613073302 /nfs/dbraw/zinc/07/33/02/613073302.db2.gz CKQNHRPGYWHAOB-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[N@H+](C)C1CCC1 ZINC000908435118 613073304 /nfs/dbraw/zinc/07/33/04/613073304.db2.gz CKQNHRPGYWHAOB-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC000908435118 613073306 /nfs/dbraw/zinc/07/33/06/613073306.db2.gz CKQNHRPGYWHAOB-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC1(C[NH3+])CCCCC1 ZINC000891921030 613074894 /nfs/dbraw/zinc/07/48/94/613074894.db2.gz HZHABQZFJXVPCL-UHFFFAOYSA-N 2 1 280.416 0.902 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000846168334 613075020 /nfs/dbraw/zinc/07/50/20/613075020.db2.gz SLBPZBQWQLTQBM-UHFFFAOYSA-N 2 1 280.416 0.630 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC000818588892 613077897 /nfs/dbraw/zinc/07/78/97/613077897.db2.gz ITJSQUQOSFXQHZ-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000818588892 613077898 /nfs/dbraw/zinc/07/78/98/613077898.db2.gz ITJSQUQOSFXQHZ-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000818588892 613077899 /nfs/dbraw/zinc/07/78/99/613077899.db2.gz ITJSQUQOSFXQHZ-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000972334773 613080576 /nfs/dbraw/zinc/08/05/76/613080576.db2.gz JUSSEKZGIALAKM-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000972334773 613080577 /nfs/dbraw/zinc/08/05/77/613080577.db2.gz JUSSEKZGIALAKM-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000972334773 613080578 /nfs/dbraw/zinc/08/05/78/613080578.db2.gz JUSSEKZGIALAKM-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000876726828 613387794 /nfs/dbraw/zinc/38/77/94/613387794.db2.gz RJTIIWKEUFZPBX-SNVBAGLBSA-N 2 1 277.821 0.621 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000970141370 612961962 /nfs/dbraw/zinc/96/19/62/612961962.db2.gz BDAKCQLMAFSYTL-CYBMUJFWSA-N 2 1 274.368 0.830 20 30 CCEDMP C#CCC1([NH2+]C[C@@H](O)C[N@H+](C)CC)CCOCC1 ZINC000887122095 612970734 /nfs/dbraw/zinc/97/07/34/612970734.db2.gz KVGWWIULHYKXHN-CYBMUJFWSA-N 2 1 254.374 0.461 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970911004 612996976 /nfs/dbraw/zinc/99/69/76/612996976.db2.gz RLNDKPSWENUHFZ-DZGCQCFKSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970911004 612996978 /nfs/dbraw/zinc/99/69/78/612996978.db2.gz RLNDKPSWENUHFZ-DZGCQCFKSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968646268 613022730 /nfs/dbraw/zinc/02/27/30/613022730.db2.gz CUZFGTGIUBJWQF-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968646268 613022731 /nfs/dbraw/zinc/02/27/31/613022731.db2.gz CUZFGTGIUBJWQF-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891920661 613076407 /nfs/dbraw/zinc/07/64/07/613076407.db2.gz CGMHKQZNYDBYAP-DZGCQCFKSA-N 2 1 278.400 0.525 20 30 CCEDMP C#C[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000820086833 613117751 /nfs/dbraw/zinc/11/77/51/613117751.db2.gz LWINTYBWHBGNPK-STQMWFEESA-N 2 1 268.405 0.579 20 30 CCEDMP C#C[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000820086833 613117753 /nfs/dbraw/zinc/11/77/53/613117753.db2.gz LWINTYBWHBGNPK-STQMWFEESA-N 2 1 268.405 0.579 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000855360068 613128736 /nfs/dbraw/zinc/12/87/36/613128736.db2.gz BLPZYIJCRCRJIN-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC#C)C2)CC1 ZINC000923582373 613131559 /nfs/dbraw/zinc/13/15/59/613131559.db2.gz NLKPDKXXFTXTTF-INIZCTEOSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)CC1 ZINC000923582373 613131560 /nfs/dbraw/zinc/13/15/60/613131560.db2.gz NLKPDKXXFTXTTF-INIZCTEOSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000897470556 613134019 /nfs/dbraw/zinc/13/40/19/613134019.db2.gz GSFGCGNZNBJBLH-AWEZNQCLSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000914392095 613134287 /nfs/dbraw/zinc/13/42/87/613134287.db2.gz SKFNMFKDCHGIKS-CQSZACIVSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000914315672 613134875 /nfs/dbraw/zinc/13/48/75/613134875.db2.gz XJSIFJGMPCYXBW-CQSZACIVSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000982012731 613143476 /nfs/dbraw/zinc/14/34/76/613143476.db2.gz FXHJVWFOTIXYNO-GJZGRUSLSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982012731 613143478 /nfs/dbraw/zinc/14/34/78/613143478.db2.gz FXHJVWFOTIXYNO-GJZGRUSLSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982012731 613143479 /nfs/dbraw/zinc/14/34/79/613143479.db2.gz FXHJVWFOTIXYNO-GJZGRUSLSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000884200689 613170945 /nfs/dbraw/zinc/17/09/45/613170945.db2.gz ISWYLDZZZBECGD-ZIAGYGMSSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000884200689 613170946 /nfs/dbraw/zinc/17/09/46/613170946.db2.gz ISWYLDZZZBECGD-ZIAGYGMSSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000884200689 613170947 /nfs/dbraw/zinc/17/09/47/613170947.db2.gz ISWYLDZZZBECGD-ZIAGYGMSSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000884200689 613170948 /nfs/dbraw/zinc/17/09/48/613170948.db2.gz ISWYLDZZZBECGD-ZIAGYGMSSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000923568967 613172413 /nfs/dbraw/zinc/17/24/13/613172413.db2.gz JIQZXQLOQMJBCL-ZIAGYGMSSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000923568967 613172414 /nfs/dbraw/zinc/17/24/14/613172414.db2.gz JIQZXQLOQMJBCL-ZIAGYGMSSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000884206296 613188132 /nfs/dbraw/zinc/18/81/32/613188132.db2.gz REILTLFUMHOIDC-ILXRZTDVSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000884206296 613188133 /nfs/dbraw/zinc/18/81/33/613188133.db2.gz REILTLFUMHOIDC-ILXRZTDVSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000884206296 613188134 /nfs/dbraw/zinc/18/81/34/613188134.db2.gz REILTLFUMHOIDC-ILXRZTDVSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000884206296 613188135 /nfs/dbraw/zinc/18/81/35/613188135.db2.gz REILTLFUMHOIDC-ILXRZTDVSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884202511 613188230 /nfs/dbraw/zinc/18/82/30/613188230.db2.gz AAWJZLQWJLHEGE-KBPBESRZSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884202511 613188231 /nfs/dbraw/zinc/18/82/31/613188231.db2.gz AAWJZLQWJLHEGE-KBPBESRZSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000884202511 613188232 /nfs/dbraw/zinc/18/82/32/613188232.db2.gz AAWJZLQWJLHEGE-KBPBESRZSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000884202511 613188233 /nfs/dbraw/zinc/18/82/33/613188233.db2.gz AAWJZLQWJLHEGE-KBPBESRZSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000923553498 613190008 /nfs/dbraw/zinc/19/00/08/613190008.db2.gz JXHXTGYTHYZXDE-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000923553498 613190009 /nfs/dbraw/zinc/19/00/09/613190009.db2.gz JXHXTGYTHYZXDE-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000923553498 613190011 /nfs/dbraw/zinc/19/00/11/613190011.db2.gz JXHXTGYTHYZXDE-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000923553498 613190013 /nfs/dbraw/zinc/19/00/13/613190013.db2.gz JXHXTGYTHYZXDE-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913273370 613198256 /nfs/dbraw/zinc/19/82/56/613198256.db2.gz DXTPRYMMWXTPII-XIRDDKMYSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913273370 613198257 /nfs/dbraw/zinc/19/82/57/613198257.db2.gz DXTPRYMMWXTPII-XIRDDKMYSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000855411065 613198706 /nfs/dbraw/zinc/19/87/06/613198706.db2.gz MHVJLHLAARKPKU-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000855411065 613198707 /nfs/dbraw/zinc/19/87/07/613198707.db2.gz MHVJLHLAARKPKU-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C[NH+]=C(NCc1ccco1)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000849019156 613220297 /nfs/dbraw/zinc/22/02/97/613220297.db2.gz MPZFKWFWQFUKPC-ZDUSSCGKSA-N 2 1 266.345 0.011 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977473640 613297076 /nfs/dbraw/zinc/29/70/76/613297076.db2.gz YECFFYRBZYFQJH-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473640 613297077 /nfs/dbraw/zinc/29/70/77/613297077.db2.gz YECFFYRBZYFQJH-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473640 613297079 /nfs/dbraw/zinc/29/70/79/613297079.db2.gz YECFFYRBZYFQJH-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000961957572 613313999 /nfs/dbraw/zinc/31/39/99/613313999.db2.gz OXBFABOMDHTXLC-FOLVSLTJSA-N 2 1 275.396 0.398 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908199585 613364275 /nfs/dbraw/zinc/36/42/75/613364275.db2.gz GPGOQGAMPAXOIH-KGLIPLIRSA-N 2 1 281.400 0.162 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000908292074 613364485 /nfs/dbraw/zinc/36/44/85/613364485.db2.gz KFFOXJVQDRJXSK-UONOGXRCSA-N 2 1 265.401 0.904 20 30 CCEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962301228 613382270 /nfs/dbraw/zinc/38/22/70/613382270.db2.gz VNSUSZXXGNTJJR-ITGUQSILSA-N 2 1 295.814 0.881 20 30 CCEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962301228 613382271 /nfs/dbraw/zinc/38/22/71/613382271.db2.gz VNSUSZXXGNTJJR-ITGUQSILSA-N 2 1 295.814 0.881 20 30 CCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970876219 613483168 /nfs/dbraw/zinc/48/31/68/613483168.db2.gz DFQNMECQIODMGU-OLZOCXBDSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000961765697 613562956 /nfs/dbraw/zinc/56/29/56/613562956.db2.gz RUSORPDYAUYBAF-TTZDDIAXSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000961765697 613562957 /nfs/dbraw/zinc/56/29/57/613562957.db2.gz RUSORPDYAUYBAF-TTZDDIAXSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000961765697 613562959 /nfs/dbraw/zinc/56/29/59/613562959.db2.gz RUSORPDYAUYBAF-TTZDDIAXSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCCOCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000155547574 613573685 /nfs/dbraw/zinc/57/36/85/613573685.db2.gz ZTZNWKIRSMRLJT-UHFFFAOYSA-N 2 1 284.404 0.206 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977604361 613609974 /nfs/dbraw/zinc/60/99/74/613609974.db2.gz VVSWVXAURXTEJQ-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977604361 613609976 /nfs/dbraw/zinc/60/99/76/613609976.db2.gz VVSWVXAURXTEJQ-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977604361 613609977 /nfs/dbraw/zinc/60/99/77/613609977.db2.gz VVSWVXAURXTEJQ-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978344682 613628906 /nfs/dbraw/zinc/62/89/06/613628906.db2.gz FOJRSRYMWGHMQF-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000978344682 613628908 /nfs/dbraw/zinc/62/89/08/613628908.db2.gz FOJRSRYMWGHMQF-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000978344682 613628910 /nfs/dbraw/zinc/62/89/10/613628910.db2.gz FOJRSRYMWGHMQF-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959923075 613637444 /nfs/dbraw/zinc/63/74/44/613637444.db2.gz OSUCHMZXZNSLTE-CAOSSQGBSA-N 2 1 287.407 0.398 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC000962306312 613642630 /nfs/dbraw/zinc/64/26/30/613642630.db2.gz APMBNGUHTQTAOC-FOLVSLTJSA-N 2 1 298.390 0.831 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC000962306312 613642632 /nfs/dbraw/zinc/64/26/32/613642632.db2.gz APMBNGUHTQTAOC-FOLVSLTJSA-N 2 1 298.390 0.831 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905095676 613675427 /nfs/dbraw/zinc/67/54/27/613675427.db2.gz JYHHRJSFXWOYGC-HUUCEWRRSA-N 2 1 284.400 0.129 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430706 613855170 /nfs/dbraw/zinc/85/51/70/613855170.db2.gz FGFDLTJTTLPYTG-RWMBFGLXSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931430706 613855171 /nfs/dbraw/zinc/85/51/71/613855171.db2.gz FGFDLTJTTLPYTG-RWMBFGLXSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430706 613855172 /nfs/dbraw/zinc/85/51/72/613855172.db2.gz FGFDLTJTTLPYTG-RWMBFGLXSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970762293 613865547 /nfs/dbraw/zinc/86/55/47/613865547.db2.gz KAMITXARRFMERU-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970762293 613865548 /nfs/dbraw/zinc/86/55/48/613865548.db2.gz KAMITXARRFMERU-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000104153669 615131394 /nfs/dbraw/zinc/13/13/94/615131394.db2.gz QDYPCWDEQIOAEA-CYBMUJFWSA-N 3 1 283.464 0.963 20 30 CCEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])NCC(C)C)CC1 ZINC000104174657 615158997 /nfs/dbraw/zinc/15/89/97/615158997.db2.gz ATEYIGOZOJYFBE-AWEZNQCLSA-N 2 1 283.464 0.820 20 30 CCEDMP CCOCCC[N@@H+]1CCC(N=NC2=[NH+]CCN2)[C@H](C)C1 ZINC000841659158 615241490 /nfs/dbraw/zinc/24/14/90/615241490.db2.gz LSNWSHSLRGYMKA-GFCCVEGCSA-N 2 1 281.404 0.660 20 30 CCEDMP CCOCCC[N@H+]1CCC(N=NC2=[NH+]CCN2)[C@H](C)C1 ZINC000841659158 615241491 /nfs/dbraw/zinc/24/14/91/615241491.db2.gz LSNWSHSLRGYMKA-GFCCVEGCSA-N 2 1 281.404 0.660 20 30 CCEDMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886273568 615952314 /nfs/dbraw/zinc/95/23/14/615952314.db2.gz BYKMKZAOTWEMEY-GDBMZVCRSA-N 2 1 295.427 0.820 20 30 CCEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886273568 615952316 /nfs/dbraw/zinc/95/23/16/615952316.db2.gz BYKMKZAOTWEMEY-GDBMZVCRSA-N 2 1 295.427 0.820 20 30 CCEDMP C[N@@H+](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)CC(C)(C)C ZINC000876801519 616048806 /nfs/dbraw/zinc/04/88/06/616048806.db2.gz DXSIKAPGSBEOOJ-WDEREUQCSA-N 2 1 252.362 0.192 20 30 CCEDMP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876734627 616207870 /nfs/dbraw/zinc/20/78/70/616207870.db2.gz VLZUXYRCFAKLBU-GOEBONIOSA-N 2 1 298.390 0.955 20 30 CCEDMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876734627 616207871 /nfs/dbraw/zinc/20/78/71/616207871.db2.gz VLZUXYRCFAKLBU-GOEBONIOSA-N 2 1 298.390 0.955 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001007943848 625391236 /nfs/dbraw/zinc/39/12/36/625391236.db2.gz MQDISOSOBZDZBT-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001007943848 625391238 /nfs/dbraw/zinc/39/12/38/625391238.db2.gz MQDISOSOBZDZBT-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C(=O)NC ZINC000157369363 622970328 /nfs/dbraw/zinc/97/03/28/622970328.db2.gz BPMCSHZZKZFJNA-LLVKDONJSA-N 2 1 283.420 0.147 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292189 622986286 /nfs/dbraw/zinc/98/62/86/622986286.db2.gz RALNPFDYADKOSH-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292189 622986291 /nfs/dbraw/zinc/98/62/91/622986291.db2.gz RALNPFDYADKOSH-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023292189 622986297 /nfs/dbraw/zinc/98/62/97/622986297.db2.gz RALNPFDYADKOSH-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023292189 622986303 /nfs/dbraw/zinc/98/63/03/622986303.db2.gz RALNPFDYADKOSH-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001020026614 623970123 /nfs/dbraw/zinc/97/01/23/623970123.db2.gz ZRBOJEPAWPEIBH-JHJVBQTASA-N 2 1 251.374 0.894 20 30 CCEDMP C[NH+]=C(NC1CCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261739892 624816324 /nfs/dbraw/zinc/81/63/24/624816324.db2.gz MIYMLBQPUBVUFW-ZDUSSCGKSA-N 2 1 280.416 0.768 20 30 CCEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261708278 631529033 /nfs/dbraw/zinc/52/90/33/631529033.db2.gz IPBPMIXNHZLESD-QJPTWQEYSA-N 2 1 270.421 0.915 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007343395 650074380 /nfs/dbraw/zinc/07/43/80/650074380.db2.gz AJCAMONFRQJHGU-GJZGRUSLSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007343395 650074382 /nfs/dbraw/zinc/07/43/82/650074382.db2.gz AJCAMONFRQJHGU-GJZGRUSLSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007350485 650075435 /nfs/dbraw/zinc/07/54/35/650075435.db2.gz QPXAVUXZLZWUCJ-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1ccnn1 ZINC000181492894 638375823 /nfs/dbraw/zinc/37/58/23/638375823.db2.gz WWXVCVKWGRKMBV-LBPRGKRZSA-N 2 1 279.392 0.057 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014482495 650455911 /nfs/dbraw/zinc/45/59/11/650455911.db2.gz GNYVGQTZIRIUBU-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014482495 650455915 /nfs/dbraw/zinc/45/59/15/650455915.db2.gz GNYVGQTZIRIUBU-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014482495 650455916 /nfs/dbraw/zinc/45/59/16/650455916.db2.gz GNYVGQTZIRIUBU-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000999372852 638976839 /nfs/dbraw/zinc/97/68/39/638976839.db2.gz PGHFJVHRZRBIRM-KGLIPLIRSA-N 2 1 286.379 0.974 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001000967634 639201792 /nfs/dbraw/zinc/20/17/92/639201792.db2.gz HKPOAIAHOMSDLI-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001000967634 639201796 /nfs/dbraw/zinc/20/17/96/639201796.db2.gz HKPOAIAHOMSDLI-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014716110 650481197 /nfs/dbraw/zinc/48/11/97/650481197.db2.gz IHWAKTDYXGAXBY-GJZGRUSLSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014716110 650481200 /nfs/dbraw/zinc/48/12/00/650481200.db2.gz IHWAKTDYXGAXBY-GJZGRUSLSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014716110 650481203 /nfs/dbraw/zinc/48/12/03/650481203.db2.gz IHWAKTDYXGAXBY-GJZGRUSLSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014716110 650481205 /nfs/dbraw/zinc/48/12/05/650481205.db2.gz IHWAKTDYXGAXBY-GJZGRUSLSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001004151913 639699775 /nfs/dbraw/zinc/69/97/75/639699775.db2.gz OPFPPBQMRZGGRQ-UHFFFAOYSA-N 2 1 262.357 0.958 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015900077 650652421 /nfs/dbraw/zinc/65/24/21/650652421.db2.gz RZZZAMKYPYAQDM-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015900077 650652423 /nfs/dbraw/zinc/65/24/23/650652423.db2.gz RZZZAMKYPYAQDM-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C[C@H](O)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000823300339 641753303 /nfs/dbraw/zinc/75/33/03/641753303.db2.gz OJTRDOMFWJTSJS-ZDUSSCGKSA-N 2 1 276.340 0.319 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001016302255 650714919 /nfs/dbraw/zinc/71/49/19/650714919.db2.gz KIKDWKIUTCWADD-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001016302255 650714921 /nfs/dbraw/zinc/71/49/21/650714921.db2.gz KIKDWKIUTCWADD-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016302255 650714923 /nfs/dbraw/zinc/71/49/23/650714923.db2.gz KIKDWKIUTCWADD-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016302255 650714927 /nfs/dbraw/zinc/71/49/27/650714927.db2.gz KIKDWKIUTCWADD-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001018617447 650884685 /nfs/dbraw/zinc/88/46/85/650884685.db2.gz VNGORXYUEVZCOC-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001020333414 651060218 /nfs/dbraw/zinc/06/02/18/651060218.db2.gz VSQKUJWOPSNPMP-XYPYZODXSA-N 2 1 276.340 0.220 20 30 CCEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000249880176 649753538 /nfs/dbraw/zinc/75/35/38/649753538.db2.gz NGACMPMYRZBVDV-CHWSQXEVSA-N 2 1 268.405 0.802 20 30 CCEDMP CC[C@@H](C)NC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000303359110 649816482 /nfs/dbraw/zinc/81/64/82/649816482.db2.gz ASXUFNYBJUPPHL-CYBMUJFWSA-N 2 1 269.437 0.717 20 30 CCEDMP CC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000303359110 649816484 /nfs/dbraw/zinc/81/64/84/649816484.db2.gz ASXUFNYBJUPPHL-CYBMUJFWSA-N 2 1 269.437 0.717 20 30 CCEDMP CC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000303359110 649816486 /nfs/dbraw/zinc/81/64/86/649816486.db2.gz ASXUFNYBJUPPHL-CYBMUJFWSA-N 2 1 269.437 0.717 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)nc1 ZINC000303780129 649824975 /nfs/dbraw/zinc/82/49/75/649824975.db2.gz LBPJASMJSDJUNO-CYBMUJFWSA-N 2 1 291.399 0.979 20 30 CCEDMP C[C@H](CNC(=[NH2+])NCC1CCC1)CN1CC[NH+](C)CC1 ZINC000303869773 649825813 /nfs/dbraw/zinc/82/58/13/649825813.db2.gz FCRPOURHCBLYCH-CYBMUJFWSA-N 2 1 281.448 0.574 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303882323 649826260 /nfs/dbraw/zinc/82/62/60/649826260.db2.gz LHWODMXLTVJKKQ-KGLIPLIRSA-N 2 1 281.448 0.715 20 30 CCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C1CC1)N(C)C ZINC000303882323 649826262 /nfs/dbraw/zinc/82/62/62/649826262.db2.gz LHWODMXLTVJKKQ-KGLIPLIRSA-N 2 1 281.448 0.715 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C1CC1)N(C)C ZINC000303882323 649826263 /nfs/dbraw/zinc/82/62/63/649826263.db2.gz LHWODMXLTVJKKQ-KGLIPLIRSA-N 2 1 281.448 0.715 20 30 CCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000303971841 649827219 /nfs/dbraw/zinc/82/72/19/649827219.db2.gz FEIBIBMANSEEED-LLVKDONJSA-N 2 1 256.394 0.800 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N1CCCCCC1 ZINC000305044718 649840942 /nfs/dbraw/zinc/84/09/42/649840942.db2.gz FAAVZJYTAXAOJD-UHFFFAOYSA-N 2 1 268.405 0.899 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)CCC)CC1 ZINC001266381189 790616180 /nfs/dbraw/zinc/61/61/80/790616180.db2.gz YJOZDPCCMKEKAI-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533792 790887432 /nfs/dbraw/zinc/88/74/32/790887432.db2.gz QPYBNPJAXVAMSU-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001266676378 791124116 /nfs/dbraw/zinc/12/41/16/791124116.db2.gz IVKRTVPGXBCKJB-HZSPNIEDSA-N 2 1 281.400 0.520 20 30 CCEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001266676378 791124121 /nfs/dbraw/zinc/12/41/21/791124121.db2.gz IVKRTVPGXBCKJB-HZSPNIEDSA-N 2 1 281.400 0.520 20 30 CCEDMP COCC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001231253980 805760974 /nfs/dbraw/zinc/76/09/74/805760974.db2.gz DDJVOFBRTFORIY-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001277781557 806033981 /nfs/dbraw/zinc/03/39/81/806033981.db2.gz LXFBBMKACYEHEY-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001277781557 806033990 /nfs/dbraw/zinc/03/39/90/806033990.db2.gz LXFBBMKACYEHEY-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001277781548 806034426 /nfs/dbraw/zinc/03/44/26/806034426.db2.gz LXFBBMKACYEHEY-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001277781548 806034434 /nfs/dbraw/zinc/03/44/34/806034434.db2.gz LXFBBMKACYEHEY-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001167461062 791195291 /nfs/dbraw/zinc/19/52/91/791195291.db2.gz WORKWLMKDITQFP-UHFFFAOYSA-N 2 1 293.411 0.218 20 30 CCEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001098561101 791476126 /nfs/dbraw/zinc/47/61/26/791476126.db2.gz RLHSYOTYBFNAGR-AWEZNQCLSA-N 2 1 295.427 0.409 20 30 CCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561101 791476130 /nfs/dbraw/zinc/47/61/30/791476130.db2.gz RLHSYOTYBFNAGR-AWEZNQCLSA-N 2 1 295.427 0.409 20 30 CCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561101 791476135 /nfs/dbraw/zinc/47/61/35/791476135.db2.gz RLHSYOTYBFNAGR-AWEZNQCLSA-N 2 1 295.427 0.409 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC=C ZINC001267132706 791579095 /nfs/dbraw/zinc/57/90/95/791579095.db2.gz RKUKSJXTHIYGDT-KGLIPLIRSA-N 2 1 263.385 0.754 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC=C ZINC001267132706 791579102 /nfs/dbraw/zinc/57/91/02/791579102.db2.gz RKUKSJXTHIYGDT-KGLIPLIRSA-N 2 1 263.385 0.754 20 30 CCEDMP C=CCn1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cn1 ZINC001234985678 806328719 /nfs/dbraw/zinc/32/87/19/806328719.db2.gz DMENTLUQDVKFHJ-CQSZACIVSA-N 2 1 261.373 0.206 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235354669 806412791 /nfs/dbraw/zinc/41/27/91/806412791.db2.gz MXLNCRFKRIFZSP-CABCVRRESA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235354669 806412798 /nfs/dbraw/zinc/41/27/98/806412798.db2.gz MXLNCRFKRIFZSP-CABCVRRESA-N 2 1 277.412 0.883 20 30 CCEDMP C=CCN(CC=C)CC[NH+]1CCN(CC[NH3+])CC1 ZINC001236434592 806591033 /nfs/dbraw/zinc/59/10/33/806591033.db2.gz UUEMYXNXBICTFX-UHFFFAOYSA-N 2 1 252.406 0.237 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001121929240 799096924 /nfs/dbraw/zinc/09/69/24/799096924.db2.gz ZVWXRPZVGZLNRW-HNNXBMFYSA-N 2 1 296.459 0.814 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001122068364 799135111 /nfs/dbraw/zinc/13/51/11/799135111.db2.gz GMAJKKDXXSDBBU-ZDUSSCGKSA-N 2 1 263.385 0.732 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001122068364 799135116 /nfs/dbraw/zinc/13/51/16/799135116.db2.gz GMAJKKDXXSDBBU-ZDUSSCGKSA-N 2 1 263.385 0.732 20 30 CCEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001278227331 806780633 /nfs/dbraw/zinc/78/06/33/806780633.db2.gz YPOZBFACMRLPMD-HUUCEWRRSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001278227331 806780637 /nfs/dbraw/zinc/78/06/37/806780637.db2.gz YPOZBFACMRLPMD-HUUCEWRRSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001149936622 800306689 /nfs/dbraw/zinc/30/66/89/800306689.db2.gz JTUDVFVKWGQGAW-AWEZNQCLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001149936622 800306690 /nfs/dbraw/zinc/30/66/90/800306690.db2.gz JTUDVFVKWGQGAW-AWEZNQCLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936622 800306702 /nfs/dbraw/zinc/30/67/02/800306702.db2.gz JTUDVFVKWGQGAW-AWEZNQCLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936622 800306708 /nfs/dbraw/zinc/30/67/08/800306708.db2.gz JTUDVFVKWGQGAW-AWEZNQCLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150620058 800349259 /nfs/dbraw/zinc/34/92/59/800349259.db2.gz JTSBZPOCFUTHQP-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150620058 800349263 /nfs/dbraw/zinc/34/92/63/800349263.db2.gz JTSBZPOCFUTHQP-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150620058 800349272 /nfs/dbraw/zinc/34/92/72/800349272.db2.gz JTSBZPOCFUTHQP-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150620058 800349280 /nfs/dbraw/zinc/34/92/80/800349280.db2.gz JTSBZPOCFUTHQP-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155004959 800890733 /nfs/dbraw/zinc/89/07/33/800890733.db2.gz AIGAVBCVWWYCBX-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](C)OC ZINC001160197905 801918060 /nfs/dbraw/zinc/91/80/60/801918060.db2.gz NDGNWXOFQKSLQO-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](C)OC ZINC001160197905 801918064 /nfs/dbraw/zinc/91/80/64/801918064.db2.gz NDGNWXOFQKSLQO-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP N#Cc1cnc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)cn1 ZINC001160510076 801953037 /nfs/dbraw/zinc/95/30/37/801953037.db2.gz FOBZKNPLANWHJW-ZDUSSCGKSA-N 2 1 258.329 0.183 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001278868291 808382227 /nfs/dbraw/zinc/38/22/27/808382227.db2.gz UYFHNHKHGULMDS-AWEZNQCLSA-N 2 1 293.411 0.067 20 30 CCEDMP C[NH+](C)C1(CNc2ccnc(C#N)c2)CC[NH+](C)CC1 ZINC001164212190 802688715 /nfs/dbraw/zinc/68/87/15/802688715.db2.gz ZRKHSWLBSFCOAL-UHFFFAOYSA-N 2 1 273.384 0.813 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166678190 802937458 /nfs/dbraw/zinc/93/74/58/802937458.db2.gz UVUHVEZYQUOCLP-ZDUSSCGKSA-N 2 1 251.374 0.447 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028538322 812829101 /nfs/dbraw/zinc/82/91/01/812829101.db2.gz BMKLEAWGWVNTOA-ZBFHGGJFSA-N 2 1 289.423 0.790 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001276407223 803021631 /nfs/dbraw/zinc/02/16/31/803021631.db2.gz XJYARNMUDCDEMV-GFCCVEGCSA-N 2 1 262.357 0.814 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699332 803042385 /nfs/dbraw/zinc/04/23/85/803042385.db2.gz IMFCTGLZNWMVPJ-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207683923 803437930 /nfs/dbraw/zinc/43/79/30/803437930.db2.gz IEKCLIHSYGGNOX-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211098235 803668166 /nfs/dbraw/zinc/66/81/66/803668166.db2.gz PCVJEUSFQFMZNI-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213767347 803702929 /nfs/dbraw/zinc/70/29/29/803702929.db2.gz OUWUSBQJXROLCC-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213767347 803702935 /nfs/dbraw/zinc/70/29/35/803702935.db2.gz OUWUSBQJXROLCC-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213767347 803702940 /nfs/dbraw/zinc/70/29/40/803702940.db2.gz OUWUSBQJXROLCC-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335874 803735337 /nfs/dbraw/zinc/73/53/37/803735337.db2.gz LRSFNPQFEUUXKE-KFWWJZLASA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540648 803819618 /nfs/dbraw/zinc/81/96/18/803819618.db2.gz PAFOSELXHPOIAX-RRFJBIMHSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216217388 803836347 /nfs/dbraw/zinc/83/63/47/803836347.db2.gz UDQMJRJIKRFBGS-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C[N@H+]1[C@@H]2C[C@@H](OC[C@H]3C[C@@H]4CC[NH2+]C[C@@H]4O3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001217879235 803922244 /nfs/dbraw/zinc/92/22/44/803922244.db2.gz OZYRZLOVUHKTDN-WBKSAWNFSA-N 2 1 294.395 0.382 20 30 CCEDMP C[N@@H+]1[C@@H]2C[C@@H](OC[C@H]3C[C@@H]4CC[NH2+]C[C@@H]4O3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001217879235 803922249 /nfs/dbraw/zinc/92/22/49/803922249.db2.gz OZYRZLOVUHKTDN-WBKSAWNFSA-N 2 1 294.395 0.382 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218558308 804003696 /nfs/dbraw/zinc/00/36/96/804003696.db2.gz XTHDFNITQUTEHO-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805471 804425425 /nfs/dbraw/zinc/42/54/25/804425425.db2.gz JQURJRMEKAAAQP-RDBSUJKOSA-N 2 1 281.400 0.064 20 30 CCEDMP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001276816110 804664954 /nfs/dbraw/zinc/66/49/54/804664954.db2.gz YFHVSCVILDTACA-JSGCOSHPSA-N 2 1 290.367 0.030 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001272152166 815030900 /nfs/dbraw/zinc/03/09/00/815030900.db2.gz QHUQBCIECRGAFC-ZDUSSCGKSA-N 2 1 251.374 0.352 20 30 CCEDMP C#CC[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001272152166 815030906 /nfs/dbraw/zinc/03/09/06/815030906.db2.gz QHUQBCIECRGAFC-ZDUSSCGKSA-N 2 1 251.374 0.352 20 30 CCEDMP C#CC[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001272152166 815030914 /nfs/dbraw/zinc/03/09/14/815030914.db2.gz QHUQBCIECRGAFC-ZDUSSCGKSA-N 2 1 251.374 0.352 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073175 804726874 /nfs/dbraw/zinc/72/68/74/804726874.db2.gz JSOICWNMJIUNDN-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073175 804726877 /nfs/dbraw/zinc/72/68/77/804726877.db2.gz JSOICWNMJIUNDN-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)nc1 ZINC001222095664 804868571 /nfs/dbraw/zinc/86/85/71/804868571.db2.gz XYXCBFHFGXMKKR-UHFFFAOYSA-N 2 1 271.368 0.481 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100980653 815041873 /nfs/dbraw/zinc/04/18/73/815041873.db2.gz ABSVPZDTSYXVHL-MOKVOYLWSA-N 2 1 263.385 0.446 20 30 CCEDMP Cn1cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1C#N ZINC001222497442 804905671 /nfs/dbraw/zinc/90/56/71/804905671.db2.gz KCRKSZWEKBDNJD-GJZGRUSLSA-N 2 1 273.384 0.423 20 30 CCEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1[nH]ccc1C#N)C2 ZINC001276840763 804935094 /nfs/dbraw/zinc/93/50/94/804935094.db2.gz WOGHYYAKYMBDAX-HIFRSBDPSA-N 2 1 287.411 0.954 20 30 CCEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1[nH]ccc1C#N)C2 ZINC001276840763 804935101 /nfs/dbraw/zinc/93/51/01/804935101.db2.gz WOGHYYAKYMBDAX-HIFRSBDPSA-N 2 1 287.411 0.954 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001276909223 804983951 /nfs/dbraw/zinc/98/39/51/804983951.db2.gz PBIHLNJMIRUFSL-LBPRGKRZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001276909223 804983955 /nfs/dbraw/zinc/98/39/55/804983955.db2.gz PBIHLNJMIRUFSL-LBPRGKRZSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001225578571 805141906 /nfs/dbraw/zinc/14/19/06/805141906.db2.gz XTQNQMRHYODXRY-UHFFFAOYSA-N 2 1 265.401 0.788 20 30 CCEDMP COCC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001277148373 805276272 /nfs/dbraw/zinc/27/62/72/805276272.db2.gz OMOVUWCSNCOIOI-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001229908003 805565719 /nfs/dbraw/zinc/56/57/19/805565719.db2.gz DJTDUXINCKYWDE-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)C=C ZINC001246001884 807111977 /nfs/dbraw/zinc/11/19/77/807111977.db2.gz PJKBZGIJYPXAJX-RYUDHWBXSA-N 2 1 256.346 0.350 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246021450 807120401 /nfs/dbraw/zinc/12/04/01/807120401.db2.gz MOXLXMJVUCQPAI-ZIAGYGMSSA-N 2 1 254.374 0.448 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246027640 807125163 /nfs/dbraw/zinc/12/51/63/807125163.db2.gz ILPZRUJRWBIVKU-KGLIPLIRSA-N 2 1 254.374 0.768 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246027640 807125166 /nfs/dbraw/zinc/12/51/66/807125166.db2.gz ILPZRUJRWBIVKU-KGLIPLIRSA-N 2 1 254.374 0.768 20 30 CCEDMP C#CC[C@H]([NH3+])c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247609361 807469152 /nfs/dbraw/zinc/46/91/52/807469152.db2.gz GPTSQNFNKIUGKC-JTQLQIEISA-N 2 1 269.308 0.800 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001251634699 807690917 /nfs/dbraw/zinc/69/09/17/807690917.db2.gz IFAVMPJAFKDHEG-BFHYXJOUSA-N 2 1 278.400 0.191 20 30 CCEDMP C#CCOC[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001251891486 807737793 /nfs/dbraw/zinc/73/77/93/807737793.db2.gz UDRIJYFGWWKBNP-XGUBFFRZSA-N 2 1 266.385 0.602 20 30 CCEDMP C=C[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001253581561 808087301 /nfs/dbraw/zinc/08/73/01/808087301.db2.gz IZAQHCLFURJTBI-MELADBBJSA-N 2 1 253.390 0.244 20 30 CCEDMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC001254667544 808271154 /nfs/dbraw/zinc/27/11/54/808271154.db2.gz BKWITBUKZXMHCQ-KGLIPLIRSA-N 2 1 250.390 0.858 20 30 CCEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001278889556 808434056 /nfs/dbraw/zinc/43/40/56/808434056.db2.gz YJWTZNLYUVGFCC-ZDUSSCGKSA-N 2 1 271.405 0.264 20 30 CCEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001278889556 808434060 /nfs/dbraw/zinc/43/40/60/808434060.db2.gz YJWTZNLYUVGFCC-ZDUSSCGKSA-N 2 1 271.405 0.264 20 30 CCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001278889556 808434062 /nfs/dbraw/zinc/43/40/62/808434062.db2.gz YJWTZNLYUVGFCC-ZDUSSCGKSA-N 2 1 271.405 0.264 20 30 CCEDMP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001279031804 808626775 /nfs/dbraw/zinc/62/67/75/808626775.db2.gz SCHHODIONSPNHY-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001263878393 809596836 /nfs/dbraw/zinc/59/68/36/809596836.db2.gz WEAPASRBNCMKFQ-RBSFLKMASA-N 2 1 277.412 0.836 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]1CC ZINC001264067427 809627094 /nfs/dbraw/zinc/62/70/94/809627094.db2.gz CIDRNFDNBNWGLK-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1CC ZINC001264067427 809627095 /nfs/dbraw/zinc/62/70/95/809627095.db2.gz CIDRNFDNBNWGLK-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1CC ZINC001264067427 809627098 /nfs/dbraw/zinc/62/70/98/809627098.db2.gz CIDRNFDNBNWGLK-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001264078376 809628528 /nfs/dbraw/zinc/62/85/28/809628528.db2.gz JBAUYWOQBVRKIQ-CQSZACIVSA-N 2 1 283.416 0.409 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265436557 809779097 /nfs/dbraw/zinc/77/90/97/809779097.db2.gz KDLOOZMOCGWSNS-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265604590 809813077 /nfs/dbraw/zinc/81/30/77/809813077.db2.gz GNFLRVLXYWWDTO-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265604590 809813083 /nfs/dbraw/zinc/81/30/83/809813083.db2.gz GNFLRVLXYWWDTO-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265939893 809900495 /nfs/dbraw/zinc/90/04/95/809900495.db2.gz BLZNAMNQATZSMV-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266120437 809938406 /nfs/dbraw/zinc/93/84/06/809938406.db2.gz ZCGKAEBWQVMHER-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266120437 809938409 /nfs/dbraw/zinc/93/84/09/809938409.db2.gz ZCGKAEBWQVMHER-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266120437 809938415 /nfs/dbraw/zinc/93/84/15/809938415.db2.gz ZCGKAEBWQVMHER-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001266148392 809948036 /nfs/dbraw/zinc/94/80/36/809948036.db2.gz AEYFASFIAFDHBJ-CYBMUJFWSA-N 2 1 265.401 0.978 20 30 CCEDMP CC#CC[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001266191709 809959192 /nfs/dbraw/zinc/95/91/92/809959192.db2.gz IBFBYTPKIDHALY-CYBMUJFWSA-N 2 1 253.390 0.834 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001267294335 811110731 /nfs/dbraw/zinc/11/07/31/811110731.db2.gz GOSPWMYUUNWEGR-CYBMUJFWSA-N 2 1 274.368 0.804 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001267294335 811110738 /nfs/dbraw/zinc/11/07/38/811110738.db2.gz GOSPWMYUUNWEGR-CYBMUJFWSA-N 2 1 274.368 0.804 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267513936 811390082 /nfs/dbraw/zinc/39/00/82/811390082.db2.gz QOXZVCMPWUFZRG-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267513936 811390093 /nfs/dbraw/zinc/39/00/93/811390093.db2.gz QOXZVCMPWUFZRG-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001267849432 811833213 /nfs/dbraw/zinc/83/32/13/811833213.db2.gz PFYZLEHFAGGJNR-ZBFHGGJFSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001267970131 811905248 /nfs/dbraw/zinc/90/52/48/811905248.db2.gz JMYRJQHIRRVLFZ-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001267989919 811929971 /nfs/dbraw/zinc/92/99/71/811929971.db2.gz OWPMFWOBAFPEHU-CQSZACIVSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027893973 812125825 /nfs/dbraw/zinc/12/58/25/812125825.db2.gz HRBHAUQBKQZOEL-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027893973 812125828 /nfs/dbraw/zinc/12/58/28/812125828.db2.gz HRBHAUQBKQZOEL-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027893973 812125831 /nfs/dbraw/zinc/12/58/31/812125831.db2.gz HRBHAUQBKQZOEL-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP CC(C)[C@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000178580452 812454938 /nfs/dbraw/zinc/45/49/38/812454938.db2.gz ZBIZNEPCSDCAMR-CYBMUJFWSA-N 2 1 270.421 0.905 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268305677 812469764 /nfs/dbraw/zinc/46/97/64/812469764.db2.gz SQDWKFMAZGIPJA-CABCVRRESA-N 2 1 297.443 0.892 20 30 CCEDMP CC#CC[NH2+]CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268399492 812544999 /nfs/dbraw/zinc/54/49/99/812544999.db2.gz HRVRAXNQVPJJQL-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268541689 812783244 /nfs/dbraw/zinc/78/32/44/812783244.db2.gz HLYNJNLBRRXWFN-ZYDHHDLOSA-N 2 1 293.411 0.238 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001268552188 812791586 /nfs/dbraw/zinc/79/15/86/812791586.db2.gz KIMIXSVCDNUZTO-BWPKMQGJSA-N 2 1 275.396 0.756 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001268552188 812791594 /nfs/dbraw/zinc/79/15/94/812791594.db2.gz KIMIXSVCDNUZTO-BWPKMQGJSA-N 2 1 275.396 0.756 20 30 CCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028549993 812829512 /nfs/dbraw/zinc/82/95/12/812829512.db2.gz DSEUPZHPTPHVPC-HZSPNIEDSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549993 812829517 /nfs/dbraw/zinc/82/95/17/812829517.db2.gz DSEUPZHPTPHVPC-HZSPNIEDSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549993 812829523 /nfs/dbraw/zinc/82/95/23/812829523.db2.gz DSEUPZHPTPHVPC-HZSPNIEDSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028549597 812830541 /nfs/dbraw/zinc/83/05/41/812830541.db2.gz RZGPVXWXWAGQGL-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549597 812830550 /nfs/dbraw/zinc/83/05/50/812830550.db2.gz RZGPVXWXWAGQGL-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549597 812830560 /nfs/dbraw/zinc/83/05/60/812830560.db2.gz RZGPVXWXWAGQGL-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268590009 812877998 /nfs/dbraw/zinc/87/79/98/812877998.db2.gz BOARTECLLBRZPG-VBROQKIQSA-N 2 1 263.385 0.614 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC#CC)C1 ZINC001028603986 812964208 /nfs/dbraw/zinc/96/42/08/812964208.db2.gz NNYKUSVJNKQRAX-CVEARBPZSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC#CC)C1 ZINC001028603986 812964213 /nfs/dbraw/zinc/96/42/13/812964213.db2.gz NNYKUSVJNKQRAX-CVEARBPZSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC#CC)C1 ZINC001028603986 812964217 /nfs/dbraw/zinc/96/42/17/812964217.db2.gz NNYKUSVJNKQRAX-CVEARBPZSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC#CC)C1 ZINC001028603986 812964221 /nfs/dbraw/zinc/96/42/21/812964221.db2.gz NNYKUSVJNKQRAX-CVEARBPZSA-N 2 1 287.407 0.545 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028628940 813004576 /nfs/dbraw/zinc/00/45/76/813004576.db2.gz BWZFPRPSKKMENU-HZSPNIEDSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028628940 813004586 /nfs/dbraw/zinc/00/45/86/813004586.db2.gz BWZFPRPSKKMENU-HZSPNIEDSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028628940 813004596 /nfs/dbraw/zinc/00/45/96/813004596.db2.gz BWZFPRPSKKMENU-HZSPNIEDSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628940 813004600 /nfs/dbraw/zinc/00/46/00/813004600.db2.gz BWZFPRPSKKMENU-HZSPNIEDSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628940 813004607 /nfs/dbraw/zinc/00/46/07/813004607.db2.gz BWZFPRPSKKMENU-HZSPNIEDSA-N 2 1 281.400 0.330 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001269295333 813312937 /nfs/dbraw/zinc/31/29/37/813312937.db2.gz CFABOZLODAFWPZ-GJZGRUSLSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001269295333 813312939 /nfs/dbraw/zinc/31/29/39/813312939.db2.gz CFABOZLODAFWPZ-GJZGRUSLSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001269295333 813312948 /nfs/dbraw/zinc/31/29/48/813312948.db2.gz CFABOZLODAFWPZ-GJZGRUSLSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001269295333 813312955 /nfs/dbraw/zinc/31/29/55/813312955.db2.gz CFABOZLODAFWPZ-GJZGRUSLSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001269295335 813313355 /nfs/dbraw/zinc/31/33/55/813313355.db2.gz CFABOZLODAFWPZ-LSDHHAIUSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001269295335 813313358 /nfs/dbraw/zinc/31/33/58/813313358.db2.gz CFABOZLODAFWPZ-LSDHHAIUSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001269295335 813313364 /nfs/dbraw/zinc/31/33/64/813313364.db2.gz CFABOZLODAFWPZ-LSDHHAIUSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001269295335 813313370 /nfs/dbraw/zinc/31/33/70/813313370.db2.gz CFABOZLODAFWPZ-LSDHHAIUSA-N 2 1 293.411 0.121 20 30 CCEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001269535618 813406761 /nfs/dbraw/zinc/40/67/61/813406761.db2.gz TWIVLTCMEPHUPF-GFCCVEGCSA-N 2 1 251.374 0.753 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028776257 813486321 /nfs/dbraw/zinc/48/63/21/813486321.db2.gz JTJXYGVLLMERGJ-ZDUSSCGKSA-N 2 1 263.385 0.400 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001087530293 814074421 /nfs/dbraw/zinc/07/44/21/814074421.db2.gz SYYOQAHWHLQTCK-ZNMIVQPWSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001087530293 814074427 /nfs/dbraw/zinc/07/44/27/814074427.db2.gz SYYOQAHWHLQTCK-ZNMIVQPWSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1CC ZINC001087530293 814074435 /nfs/dbraw/zinc/07/44/35/814074435.db2.gz SYYOQAHWHLQTCK-ZNMIVQPWSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1CC ZINC001087530293 814074444 /nfs/dbraw/zinc/07/44/44/814074444.db2.gz SYYOQAHWHLQTCK-ZNMIVQPWSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C(=O)OCCNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001168069774 814538413 /nfs/dbraw/zinc/53/84/13/814538413.db2.gz ILUWCDXDLVICEK-UHFFFAOYSA-N 2 1 291.355 0.417 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCC=C)C2)CC1 ZINC001031434891 817052339 /nfs/dbraw/zinc/05/23/39/817052339.db2.gz IXQDGJVAFZBHSE-UHFFFAOYSA-N 2 1 275.396 0.708 20 30 CCEDMP C=CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681500 817241727 /nfs/dbraw/zinc/24/17/27/817241727.db2.gz VOVLTDJKCHMJQL-DGCLKSJQSA-N 2 1 251.374 0.561 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031767131 817351494 /nfs/dbraw/zinc/35/14/94/817351494.db2.gz RWSJXLSFKNSADG-GJZGRUSLSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001031767131 817351503 /nfs/dbraw/zinc/35/15/03/817351503.db2.gz RWSJXLSFKNSADG-GJZGRUSLSA-N 2 1 275.396 0.685 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031772160 817353857 /nfs/dbraw/zinc/35/38/57/817353857.db2.gz PMEIICOOTIJLKM-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031772160 817353866 /nfs/dbraw/zinc/35/38/66/817353866.db2.gz PMEIICOOTIJLKM-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031858889 817422569 /nfs/dbraw/zinc/42/25/69/817422569.db2.gz KIKFIPZZNJTKHR-UGWHAMFMSA-N 2 1 291.395 0.084 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032044468 817575585 /nfs/dbraw/zinc/57/55/85/817575585.db2.gz RXIFQNOWSRSXCX-GJZGRUSLSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032044468 817575594 /nfs/dbraw/zinc/57/55/94/817575594.db2.gz RXIFQNOWSRSXCX-GJZGRUSLSA-N 2 1 275.396 0.685 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785559 817868124 /nfs/dbraw/zinc/86/81/24/817868124.db2.gz NAPKZIBIXBKNDD-CHWSQXEVSA-N 2 1 267.373 0.132 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033419320 818759726 /nfs/dbraw/zinc/75/97/26/818759726.db2.gz IGUBAHDFBKBIQT-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033419320 818759734 /nfs/dbraw/zinc/75/97/34/818759734.db2.gz IGUBAHDFBKBIQT-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033419320 818759741 /nfs/dbraw/zinc/75/97/41/818759741.db2.gz IGUBAHDFBKBIQT-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033419320 818759749 /nfs/dbraw/zinc/75/97/49/818759749.db2.gz IGUBAHDFBKBIQT-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001033774948 818927650 /nfs/dbraw/zinc/92/76/50/818927650.db2.gz LDQPUBXUAGRUPV-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001033774948 818927657 /nfs/dbraw/zinc/92/76/57/818927657.db2.gz LDQPUBXUAGRUPV-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001033774948 818927662 /nfs/dbraw/zinc/92/76/62/818927662.db2.gz LDQPUBXUAGRUPV-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001033774948 818927670 /nfs/dbraw/zinc/92/76/70/818927670.db2.gz LDQPUBXUAGRUPV-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128783081 819008221 /nfs/dbraw/zinc/00/82/21/819008221.db2.gz FDGJREYSTSHOKE-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034014275 819031385 /nfs/dbraw/zinc/03/13/85/819031385.db2.gz VZVWAEMZZWWGNO-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034014275 819031391 /nfs/dbraw/zinc/03/13/91/819031391.db2.gz VZVWAEMZZWWGNO-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034149319 819098092 /nfs/dbraw/zinc/09/80/92/819098092.db2.gz VNFKLFMIEATAHY-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034149319 819098099 /nfs/dbraw/zinc/09/80/99/819098099.db2.gz VNFKLFMIEATAHY-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149319 819098102 /nfs/dbraw/zinc/09/81/02/819098102.db2.gz VNFKLFMIEATAHY-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149319 819098109 /nfs/dbraw/zinc/09/81/09/819098109.db2.gz VNFKLFMIEATAHY-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001034675035 819282383 /nfs/dbraw/zinc/28/23/83/819282383.db2.gz NDDNLAJWCIFVOL-KBUPBQIOSA-N 2 1 295.427 0.909 20 30 CCEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001034675035 819282386 /nfs/dbraw/zinc/28/23/86/819282386.db2.gz NDDNLAJWCIFVOL-KBUPBQIOSA-N 2 1 295.427 0.909 20 30 CCEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035259548 819426548 /nfs/dbraw/zinc/42/65/48/819426548.db2.gz XOFWZGQYKLAWFS-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001035259548 819426553 /nfs/dbraw/zinc/42/65/53/819426553.db2.gz XOFWZGQYKLAWFS-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001035259548 819426559 /nfs/dbraw/zinc/42/65/59/819426559.db2.gz XOFWZGQYKLAWFS-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001035313023 819462649 /nfs/dbraw/zinc/46/26/49/819462649.db2.gz LWZFZVGJYRHTET-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035313023 819462655 /nfs/dbraw/zinc/46/26/55/819462655.db2.gz LWZFZVGJYRHTET-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035313023 819462659 /nfs/dbraw/zinc/46/26/59/819462659.db2.gz LWZFZVGJYRHTET-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001035377095 819509843 /nfs/dbraw/zinc/50/98/43/819509843.db2.gz VFNFTSZEJWOTEW-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001035377095 819509845 /nfs/dbraw/zinc/50/98/45/819509845.db2.gz VFNFTSZEJWOTEW-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035377095 819509852 /nfs/dbraw/zinc/50/98/52/819509852.db2.gz VFNFTSZEJWOTEW-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035377095 819509856 /nfs/dbraw/zinc/50/98/56/819509856.db2.gz VFNFTSZEJWOTEW-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001036218392 819713459 /nfs/dbraw/zinc/71/34/59/819713459.db2.gz KRCGSKJEMSYNOJ-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001036216052 819713667 /nfs/dbraw/zinc/71/36/67/819713667.db2.gz BWCRKSQFLHPIRI-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCN1CC[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273144427 819896064 /nfs/dbraw/zinc/89/60/64/819896064.db2.gz PUVLHYTTYJVXGV-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCN1CC[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144427 819896073 /nfs/dbraw/zinc/89/60/73/819896073.db2.gz PUVLHYTTYJVXGV-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCN1CC[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144427 819896084 /nfs/dbraw/zinc/89/60/84/819896084.db2.gz PUVLHYTTYJVXGV-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080324776 820547358 /nfs/dbraw/zinc/54/73/58/820547358.db2.gz CINDYAILYFCRFL-KFWWJZLASA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080324776 820547364 /nfs/dbraw/zinc/54/73/64/820547364.db2.gz CINDYAILYFCRFL-KFWWJZLASA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324776 820547368 /nfs/dbraw/zinc/54/73/68/820547368.db2.gz CINDYAILYFCRFL-KFWWJZLASA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324776 820547375 /nfs/dbraw/zinc/54/73/75/820547375.db2.gz CINDYAILYFCRFL-KFWWJZLASA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082935190 821065450 /nfs/dbraw/zinc/06/54/50/821065450.db2.gz OKQZKYAMHYHUOR-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082935190 821065460 /nfs/dbraw/zinc/06/54/60/821065460.db2.gz OKQZKYAMHYHUOR-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001082941823 821067207 /nfs/dbraw/zinc/06/72/07/821067207.db2.gz NXUSGWOBSKQIIT-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664009 821340563 /nfs/dbraw/zinc/34/05/63/821340563.db2.gz AQLPVBYPPZVARC-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664009 821340571 /nfs/dbraw/zinc/34/05/71/821340571.db2.gz AQLPVBYPPZVARC-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664009 821340579 /nfs/dbraw/zinc/34/05/79/821340579.db2.gz AQLPVBYPPZVARC-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664009 821340591 /nfs/dbraw/zinc/34/05/91/821340591.db2.gz AQLPVBYPPZVARC-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778454 821391061 /nfs/dbraw/zinc/39/10/61/821391061.db2.gz XRTJTHGETQCTAR-HUUCEWRRSA-N 2 1 287.407 0.638 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968243 822042623 /nfs/dbraw/zinc/04/26/23/822042623.db2.gz FOQLTSADTOYWHI-STQMWFEESA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968243 822042634 /nfs/dbraw/zinc/04/26/34/822042634.db2.gz FOQLTSADTOYWHI-STQMWFEESA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085968243 822042642 /nfs/dbraw/zinc/04/26/42/822042642.db2.gz FOQLTSADTOYWHI-STQMWFEESA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085968243 822042652 /nfs/dbraw/zinc/04/26/52/822042652.db2.gz FOQLTSADTOYWHI-STQMWFEESA-N 2 1 251.374 0.657 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001086109893 822117575 /nfs/dbraw/zinc/11/75/75/822117575.db2.gz KIIBPRCZEGDFHU-MJBXVCDLSA-N 2 1 281.375 0.538 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001086109893 822117578 /nfs/dbraw/zinc/11/75/78/822117578.db2.gz KIIBPRCZEGDFHU-MJBXVCDLSA-N 2 1 281.375 0.538 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001086365228 822226442 /nfs/dbraw/zinc/22/64/42/822226442.db2.gz JHOHKKUZDBVSBE-KLHDSHLOSA-N 2 1 289.423 0.978 20 30 CCEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001114093873 837435295 /nfs/dbraw/zinc/43/52/95/837435295.db2.gz WOJMMBXPUXIEAD-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001114093873 837435299 /nfs/dbraw/zinc/43/52/99/837435299.db2.gz WOJMMBXPUXIEAD-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001114093873 837435302 /nfs/dbraw/zinc/43/53/02/837435302.db2.gz WOJMMBXPUXIEAD-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114093873 837435304 /nfs/dbraw/zinc/43/53/04/837435304.db2.gz WOJMMBXPUXIEAD-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114093873 837435309 /nfs/dbraw/zinc/43/53/09/837435309.db2.gz WOJMMBXPUXIEAD-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCCCO1 ZINC001129771159 837557779 /nfs/dbraw/zinc/55/77/79/837557779.db2.gz SGGOCRZIHVEETJ-CABCVRRESA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCCCO1 ZINC001129771159 837557784 /nfs/dbraw/zinc/55/77/84/837557784.db2.gz SGGOCRZIHVEETJ-CABCVRRESA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCCCF ZINC001129770300 837559279 /nfs/dbraw/zinc/55/92/79/837559279.db2.gz DMHIADIKXVJDQO-AWEZNQCLSA-N 2 1 283.391 0.930 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCCCF ZINC001129770300 837559284 /nfs/dbraw/zinc/55/92/84/837559284.db2.gz DMHIADIKXVJDQO-AWEZNQCLSA-N 2 1 283.391 0.930 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129385960 836637187 /nfs/dbraw/zinc/63/71/87/836637187.db2.gz HRUVUEAJHUWUHP-CYBMUJFWSA-N 2 1 279.388 0.095 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109402576 836672012 /nfs/dbraw/zinc/67/20/12/836672012.db2.gz VHXSHWUEDGKSTJ-RDBSUJKOSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109402576 836672018 /nfs/dbraw/zinc/67/20/18/836672018.db2.gz VHXSHWUEDGKSTJ-RDBSUJKOSA-N 2 1 275.396 0.825 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433300 836762475 /nfs/dbraw/zinc/76/24/75/836762475.db2.gz PODHNCXGQJMKAE-KBPBESRZSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433300 836762487 /nfs/dbraw/zinc/76/24/87/836762487.db2.gz PODHNCXGQJMKAE-KBPBESRZSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCCC[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001113432317 837114157 /nfs/dbraw/zinc/11/41/57/837114157.db2.gz YGAZYOHJTCZYBY-UHFFFAOYSA-N 2 1 295.427 0.819 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001113499233 837137166 /nfs/dbraw/zinc/13/71/66/837137166.db2.gz OYOABGZCXQZEKY-UHFFFAOYSA-N 2 1 283.416 0.675 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001113499233 837137170 /nfs/dbraw/zinc/13/71/70/837137170.db2.gz OYOABGZCXQZEKY-UHFFFAOYSA-N 2 1 283.416 0.675 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170223957 837271279 /nfs/dbraw/zinc/27/12/79/837271279.db2.gz ZQVHDUBTLLVZMA-UHFFFAOYSA-N 2 1 271.405 0.627 20 30 CCEDMP C=CC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132424315 838389702 /nfs/dbraw/zinc/38/97/02/838389702.db2.gz FBHFWEYAOPNXFG-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132436607 838399631 /nfs/dbraw/zinc/39/96/31/838399631.db2.gz MXYRJGRSELONHQ-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132436607 838399635 /nfs/dbraw/zinc/39/96/35/838399635.db2.gz MXYRJGRSELONHQ-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132436607 838399644 /nfs/dbraw/zinc/39/96/44/838399644.db2.gz MXYRJGRSELONHQ-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133823678 838726972 /nfs/dbraw/zinc/72/69/72/838726972.db2.gz LZGWFGWFKBYTOP-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001133870614 838751420 /nfs/dbraw/zinc/75/14/20/838751420.db2.gz UXNQXLBFLFJXMB-WBVHZDCISA-N 2 1 299.418 0.942 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133905960 838771804 /nfs/dbraw/zinc/77/18/04/838771804.db2.gz KZGDEDFZCQQFGJ-UHFFFAOYSA-N 2 1 253.390 0.693 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001091036097 839995334 /nfs/dbraw/zinc/99/53/34/839995334.db2.gz SLTLZUUUWLXBPE-BLYZHGLHSA-N 2 1 263.385 0.444 20 30 CCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091097544 840053832 /nfs/dbraw/zinc/05/38/32/840053832.db2.gz RGCMPCWDGUIWNS-XSCHDIRWSA-N 2 1 295.427 0.766 20 30 CCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091097544 840053840 /nfs/dbraw/zinc/05/38/40/840053840.db2.gz RGCMPCWDGUIWNS-XSCHDIRWSA-N 2 1 295.427 0.766 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001091373254 840193954 /nfs/dbraw/zinc/19/39/54/840193954.db2.gz BCTXXSAJMSSUFW-RUXDESIVSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001091373254 840193958 /nfs/dbraw/zinc/19/39/58/840193958.db2.gz BCTXXSAJMSSUFW-RUXDESIVSA-N 2 1 281.400 0.378 20 30 CCEDMP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCC(CC#N)CC1 ZINC001173329336 842043552 /nfs/dbraw/zinc/04/35/52/842043552.db2.gz FZWKZDVMQSQWPR-MOENNCHZSA-N 2 1 253.346 0.796 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176636636 842393413 /nfs/dbraw/zinc/39/34/13/842393413.db2.gz REEARJJWLDNYLR-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176636636 842393425 /nfs/dbraw/zinc/39/34/25/842393425.db2.gz REEARJJWLDNYLR-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001178719546 842895965 /nfs/dbraw/zinc/89/59/65/842895965.db2.gz MVDYHCKKDGRGLX-INIZCTEOSA-N 2 1 289.423 0.983 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001178719546 842895975 /nfs/dbraw/zinc/89/59/75/842895975.db2.gz MVDYHCKKDGRGLX-INIZCTEOSA-N 2 1 289.423 0.983 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001179861002 843074815 /nfs/dbraw/zinc/07/48/15/843074815.db2.gz HEGMUWAUCVDYTD-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181009268 843372161 /nfs/dbraw/zinc/37/21/61/843372161.db2.gz UHBJPGQLHHYUAK-IJEWVQPXSA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181009268 843372168 /nfs/dbraw/zinc/37/21/68/843372168.db2.gz UHBJPGQLHHYUAK-IJEWVQPXSA-N 2 1 295.427 0.577 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001183080641 843960260 /nfs/dbraw/zinc/96/02/60/843960260.db2.gz WBYZUTXVSYYODO-ZDUSSCGKSA-N 2 1 251.374 0.849 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106422 844645449 /nfs/dbraw/zinc/64/54/49/844645449.db2.gz GVMRTBOCWMOALS-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054980 845029026 /nfs/dbraw/zinc/02/90/26/845029026.db2.gz LRGXRUWEINKLAS-LSDHHAIUSA-N 2 1 295.427 0.673 20 30 CCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192865557 845918509 /nfs/dbraw/zinc/91/85/09/845918509.db2.gz CSMUYIUGQZETBN-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192865557 845918516 /nfs/dbraw/zinc/91/85/16/845918516.db2.gz CSMUYIUGQZETBN-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194009453 846195710 /nfs/dbraw/zinc/19/57/10/846195710.db2.gz DFEGNWSITHDBQT-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194009453 846195717 /nfs/dbraw/zinc/19/57/17/846195717.db2.gz DFEGNWSITHDBQT-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194009453 846195722 /nfs/dbraw/zinc/19/57/22/846195722.db2.gz DFEGNWSITHDBQT-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197057564 846834882 /nfs/dbraw/zinc/83/48/82/846834882.db2.gz DVHFLGZDNDJSFD-RRFJBIMHSA-N 2 1 297.443 0.844 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001197921945 847004532 /nfs/dbraw/zinc/00/45/32/847004532.db2.gz BKFJOTXSLANQSJ-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001197921945 847004538 /nfs/dbraw/zinc/00/45/38/847004538.db2.gz BKFJOTXSLANQSJ-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)C[NH+](C)CCC)CC1 ZINC001197921945 847004545 /nfs/dbraw/zinc/00/45/45/847004545.db2.gz BKFJOTXSLANQSJ-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)C[NH+](C)CCC)CC1 ZINC001197921945 847004550 /nfs/dbraw/zinc/00/45/50/847004550.db2.gz BKFJOTXSLANQSJ-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199943836 847475522 /nfs/dbraw/zinc/47/55/22/847475522.db2.gz RXRDQKMIAZOPDB-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943836 847475530 /nfs/dbraw/zinc/47/55/30/847475530.db2.gz RXRDQKMIAZOPDB-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCC ZINC001115162067 847709088 /nfs/dbraw/zinc/70/90/88/847709088.db2.gz RRZKBPHWMDMIJO-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115162067 847709092 /nfs/dbraw/zinc/70/90/92/847709092.db2.gz RRZKBPHWMDMIJO-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115162067 847709099 /nfs/dbraw/zinc/70/90/99/847709099.db2.gz RRZKBPHWMDMIJO-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202067276 847853410 /nfs/dbraw/zinc/85/34/10/847853410.db2.gz CVKHYJGNTWXTRT-AWEZNQCLSA-N 2 1 292.383 0.585 20 30 CCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001273929176 847859509 /nfs/dbraw/zinc/85/95/09/847859509.db2.gz HTYJVWJSRCHRCR-MRXNPFEDSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202164983 847862229 /nfs/dbraw/zinc/86/22/29/847862229.db2.gz NULLNHOGHRUTOM-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114408848 848050289 /nfs/dbraw/zinc/05/02/89/848050289.db2.gz BIIUWEDEKBAACF-DGAVXFQQSA-N 2 1 263.385 0.559 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114410052 848050808 /nfs/dbraw/zinc/05/08/08/848050808.db2.gz SHBIJWIMVFUDQS-ZOBORPQBSA-N 2 1 261.369 0.006 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001114426537 848056262 /nfs/dbraw/zinc/05/62/62/848056262.db2.gz OQUSNECTMNGXBU-AIANPOQGSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114426537 848056264 /nfs/dbraw/zinc/05/62/64/848056264.db2.gz OQUSNECTMNGXBU-AIANPOQGSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114426537 848056269 /nfs/dbraw/zinc/05/62/69/848056269.db2.gz OQUSNECTMNGXBU-AIANPOQGSA-N 2 1 289.423 0.931 20 30 CCEDMP C=CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001274014491 848302943 /nfs/dbraw/zinc/30/29/43/848302943.db2.gz XHOYETAFJRKGIC-AWEZNQCLSA-N 2 1 295.427 0.769 20 30 CCEDMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](CCC#N)C2)C1=O ZINC001274031345 848312300 /nfs/dbraw/zinc/31/23/00/848312300.db2.gz ODAAZHFLRKTQJF-OAHLLOKOSA-N 2 1 292.383 0.303 20 30 CCEDMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](CCC#N)C2)C1=O ZINC001274031345 848312310 /nfs/dbraw/zinc/31/23/10/848312310.db2.gz ODAAZHFLRKTQJF-OAHLLOKOSA-N 2 1 292.383 0.303 20 30 CCEDMP CC#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001274297861 848444009 /nfs/dbraw/zinc/44/40/09/848444009.db2.gz LLSSUTFXEUXYEZ-KBPBESRZSA-N 2 1 265.401 0.786 20 30 CCEDMP C=CCCC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001274964617 848601527 /nfs/dbraw/zinc/60/15/27/848601527.db2.gz QVSNSPSMYDYLOS-GASCZTMLSA-N 2 1 267.417 0.899 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001275285904 848685852 /nfs/dbraw/zinc/68/58/52/848685852.db2.gz IANCMMXBTQKLHD-GXTWGEPZSA-N 2 1 288.395 0.872 20 30 CCEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281415 849150006 /nfs/dbraw/zinc/15/00/06/849150006.db2.gz QYXHMBUCXFFGPY-KFWWJZLASA-N 2 1 295.427 0.862 20 30 CCEDMP CC#CC[NH2+]CCCN(C)C(=O)C[N@H+](C)CCC ZINC001276340448 849431134 /nfs/dbraw/zinc/43/11/34/849431134.db2.gz UCTJRYHGNXCDET-UHFFFAOYSA-N 2 1 253.390 0.790 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001038630209 849730018 /nfs/dbraw/zinc/73/00/18/849730018.db2.gz MBQUGXRWWJBDCV-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001038630209 849730022 /nfs/dbraw/zinc/73/00/22/849730022.db2.gz MBQUGXRWWJBDCV-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001038630209 849730027 /nfs/dbraw/zinc/73/00/27/849730027.db2.gz MBQUGXRWWJBDCV-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001038630209 849730029 /nfs/dbraw/zinc/73/00/29/849730029.db2.gz MBQUGXRWWJBDCV-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001038632612 849746168 /nfs/dbraw/zinc/74/61/68/849746168.db2.gz YVZPMGSXSZNYSF-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001038632612 849746172 /nfs/dbraw/zinc/74/61/72/849746172.db2.gz YVZPMGSXSZNYSF-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001038632612 849746177 /nfs/dbraw/zinc/74/61/77/849746177.db2.gz YVZPMGSXSZNYSF-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038269784 849834457 /nfs/dbraw/zinc/83/44/57/849834457.db2.gz QJIKLJHFAMAZNO-GJZGRUSLSA-N 2 1 275.396 0.542 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001038264740 849834702 /nfs/dbraw/zinc/83/47/02/849834702.db2.gz FVKCWRIWTYMSJE-JHJVBQTASA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001038264740 849834706 /nfs/dbraw/zinc/83/47/06/849834706.db2.gz FVKCWRIWTYMSJE-JHJVBQTASA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038264740 849834708 /nfs/dbraw/zinc/83/47/08/849834708.db2.gz FVKCWRIWTYMSJE-JHJVBQTASA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038264740 849834712 /nfs/dbraw/zinc/83/47/12/849834712.db2.gz FVKCWRIWTYMSJE-JHJVBQTASA-N 2 1 251.374 0.703 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCC)CC1 ZINC001039042605 850136871 /nfs/dbraw/zinc/13/68/71/850136871.db2.gz UQMAKZMHFHDJPX-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041831673 850509853 /nfs/dbraw/zinc/50/98/53/850509853.db2.gz PDWVZCPMPKETKL-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041831673 850509861 /nfs/dbraw/zinc/50/98/61/850509861.db2.gz PDWVZCPMPKETKL-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041831673 850509868 /nfs/dbraw/zinc/50/98/68/850509868.db2.gz PDWVZCPMPKETKL-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046846357 851627051 /nfs/dbraw/zinc/62/70/51/851627051.db2.gz UDWFZDIEMKJURL-HOCLYGCPSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046846357 851627057 /nfs/dbraw/zinc/62/70/57/851627057.db2.gz UDWFZDIEMKJURL-HOCLYGCPSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046846357 851627064 /nfs/dbraw/zinc/62/70/64/851627064.db2.gz UDWFZDIEMKJURL-HOCLYGCPSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046846357 851627071 /nfs/dbraw/zinc/62/70/71/851627071.db2.gz UDWFZDIEMKJURL-HOCLYGCPSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001048897090 852102166 /nfs/dbraw/zinc/10/21/66/852102166.db2.gz PQHYYPPYTACCOA-ZNMIVQPWSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048897090 852102171 /nfs/dbraw/zinc/10/21/71/852102171.db2.gz PQHYYPPYTACCOA-ZNMIVQPWSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048897090 852102177 /nfs/dbraw/zinc/10/21/77/852102177.db2.gz PQHYYPPYTACCOA-ZNMIVQPWSA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049056967 852148896 /nfs/dbraw/zinc/14/88/96/852148896.db2.gz FQICIMYLXJZDKG-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049056967 852148902 /nfs/dbraw/zinc/14/89/02/852148902.db2.gz FQICIMYLXJZDKG-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049056967 852148910 /nfs/dbraw/zinc/14/89/10/852148910.db2.gz FQICIMYLXJZDKG-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC)C[C@@H]3C2)CC1 ZINC001049235448 852201763 /nfs/dbraw/zinc/20/17/63/852201763.db2.gz PMKIGNJOGYSSHZ-IYBDPMFKSA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096545793 852314341 /nfs/dbraw/zinc/31/43/41/852314341.db2.gz OICXQMGNGABDIC-RDBSUJKOSA-N 2 1 263.385 0.990 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096545793 852314350 /nfs/dbraw/zinc/31/43/50/852314350.db2.gz OICXQMGNGABDIC-RDBSUJKOSA-N 2 1 263.385 0.990 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847615 852385490 /nfs/dbraw/zinc/38/54/90/852385490.db2.gz YBPYOHZLUKMEJO-HUUCEWRRSA-N 2 1 287.407 0.781 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001052713210 852645137 /nfs/dbraw/zinc/64/51/37/852645137.db2.gz SXBFBDCFJHEGTR-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052713210 852645140 /nfs/dbraw/zinc/64/51/40/852645140.db2.gz SXBFBDCFJHEGTR-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052713210 852645143 /nfs/dbraw/zinc/64/51/43/852645143.db2.gz SXBFBDCFJHEGTR-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001054748515 853006430 /nfs/dbraw/zinc/00/64/30/853006430.db2.gz NOJCRYQLFBKDRX-TZMCWYRMSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071994294 854331248 /nfs/dbraw/zinc/33/12/48/854331248.db2.gz DVIMTPRPGHERRF-ZIAGYGMSSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071994294 854331256 /nfs/dbraw/zinc/33/12/56/854331256.db2.gz DVIMTPRPGHERRF-ZIAGYGMSSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001072991634 854509173 /nfs/dbraw/zinc/50/91/73/854509173.db2.gz YSGGMHKYZBHSKG-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073555079 854593040 /nfs/dbraw/zinc/59/30/40/854593040.db2.gz VALGAJJACDPYCQ-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073555079 854593044 /nfs/dbraw/zinc/59/30/44/854593044.db2.gz VALGAJJACDPYCQ-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001073555079 854593052 /nfs/dbraw/zinc/59/30/52/854593052.db2.gz VALGAJJACDPYCQ-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073610851 854614365 /nfs/dbraw/zinc/61/43/65/854614365.db2.gz GCPZAHSQHXHUHP-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610851 854614373 /nfs/dbraw/zinc/61/43/73/854614373.db2.gz GCPZAHSQHXHUHP-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610851 854614381 /nfs/dbraw/zinc/61/43/81/854614381.db2.gz GCPZAHSQHXHUHP-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100009537 855070222 /nfs/dbraw/zinc/07/02/22/855070222.db2.gz ZXADPQHESUCAFF-KBPBESRZSA-N 2 1 297.443 0.702 20 30 CCEDMP C=CCCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100066333 855090674 /nfs/dbraw/zinc/09/06/74/855090674.db2.gz HCYYMTKYJWWZRF-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100066333 855090679 /nfs/dbraw/zinc/09/06/79/855090679.db2.gz HCYYMTKYJWWZRF-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100066333 855090682 /nfs/dbraw/zinc/09/06/82/855090682.db2.gz HCYYMTKYJWWZRF-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100131995 855104709 /nfs/dbraw/zinc/10/47/09/855104709.db2.gz LWDUKDYPDPIWKJ-CHWSQXEVSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131995 855104711 /nfs/dbraw/zinc/10/47/11/855104711.db2.gz LWDUKDYPDPIWKJ-CHWSQXEVSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131995 855104712 /nfs/dbraw/zinc/10/47/12/855104712.db2.gz LWDUKDYPDPIWKJ-CHWSQXEVSA-N 2 1 269.389 0.064 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100187899 855113735 /nfs/dbraw/zinc/11/37/35/855113735.db2.gz RJRDUFJDOSWMRC-JXQTWKCFSA-N 2 1 263.385 0.588 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758812 855220302 /nfs/dbraw/zinc/22/03/02/855220302.db2.gz PHKIPDDIEZKDHT-UHFFFAOYSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100829643 855230782 /nfs/dbraw/zinc/23/07/82/855230782.db2.gz DXEQWBWERJEFAQ-UHFFFAOYSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034164 855562888 /nfs/dbraw/zinc/56/28/88/855562888.db2.gz VPENXIGGEDYHOF-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034164 855562896 /nfs/dbraw/zinc/56/28/96/855562896.db2.gz VPENXIGGEDYHOF-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001115081420 855639643 /nfs/dbraw/zinc/63/96/43/855639643.db2.gz QWDTXDHEHWESKP-FOLVSLTJSA-N 2 1 293.411 0.024 20 30 CCEDMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001115081420 855639646 /nfs/dbraw/zinc/63/96/46/855639646.db2.gz QWDTXDHEHWESKP-FOLVSLTJSA-N 2 1 293.411 0.024 20 30 CCEDMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001115081420 855639649 /nfs/dbraw/zinc/63/96/49/855639649.db2.gz QWDTXDHEHWESKP-FOLVSLTJSA-N 2 1 293.411 0.024 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001323245493 912215180 /nfs/dbraw/zinc/21/51/80/912215180.db2.gz GAWMNOIUFMEHBZ-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001323245493 912215199 /nfs/dbraw/zinc/21/51/99/912215199.db2.gz GAWMNOIUFMEHBZ-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001323245493 912215215 /nfs/dbraw/zinc/21/52/15/912215215.db2.gz GAWMNOIUFMEHBZ-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001323245493 912215233 /nfs/dbraw/zinc/21/52/33/912215233.db2.gz GAWMNOIUFMEHBZ-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001323337517 912283712 /nfs/dbraw/zinc/28/37/12/912283712.db2.gz WZRUZBBTPBETFV-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001323337517 912283725 /nfs/dbraw/zinc/28/37/25/912283725.db2.gz WZRUZBBTPBETFV-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001323337517 912283736 /nfs/dbraw/zinc/28/37/36/912283736.db2.gz WZRUZBBTPBETFV-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001323337517 912283748 /nfs/dbraw/zinc/28/37/48/912283748.db2.gz WZRUZBBTPBETFV-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCF)CC1 ZINC001324439552 912845107 /nfs/dbraw/zinc/84/51/07/912845107.db2.gz JTYFPCOBRGNNNT-UHFFFAOYSA-N 2 1 295.402 0.978 20 30 CCEDMP C=CCO[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC001325226981 913291868 /nfs/dbraw/zinc/29/18/68/913291868.db2.gz BEYPFKUQZBDJPS-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCO[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC001325226981 913291883 /nfs/dbraw/zinc/29/18/83/913291883.db2.gz BEYPFKUQZBDJPS-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001481122997 892196883 /nfs/dbraw/zinc/19/68/83/892196883.db2.gz GBSLLBLIWBMQBS-AWEZNQCLSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481492682 892740661 /nfs/dbraw/zinc/74/06/61/892740661.db2.gz XKBYOUXTSJLOQB-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481492682 892740673 /nfs/dbraw/zinc/74/06/73/892740673.db2.gz XKBYOUXTSJLOQB-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001481492682 892740688 /nfs/dbraw/zinc/74/06/88/892740688.db2.gz XKBYOUXTSJLOQB-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001481798752 893161733 /nfs/dbraw/zinc/16/17/33/893161733.db2.gz UJJDQYAWGJWYRU-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001481798752 893161737 /nfs/dbraw/zinc/16/17/37/893161737.db2.gz UJJDQYAWGJWYRU-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001482737397 894556161 /nfs/dbraw/zinc/55/61/61/894556161.db2.gz LTKINIRPKMRWMT-LSDHHAIUSA-N 2 1 293.411 0.093 20 30 CCEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001484646014 896513952 /nfs/dbraw/zinc/51/39/52/896513952.db2.gz FCRPQVMSKCAJTI-CQSZACIVSA-N 2 1 295.427 0.912 20 30 CCEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001484857402 896637665 /nfs/dbraw/zinc/63/76/65/896637665.db2.gz ZFRJWAZTEQFTQE-INIZCTEOSA-N 2 1 297.443 0.846 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)CC[N@H+](C)CC ZINC001485001274 896702189 /nfs/dbraw/zinc/70/21/89/896702189.db2.gz VZAHMIBCHINIPQ-ZDUSSCGKSA-N 2 1 253.390 0.836 20 30 CCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001485533356 897113125 /nfs/dbraw/zinc/11/31/25/897113125.db2.gz PXYUOACJPRWASJ-CYBMUJFWSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001485626119 897153724 /nfs/dbraw/zinc/15/37/24/897153724.db2.gz FSQYSKBUYITVAO-QKDCVEJESA-N 2 1 277.412 0.952 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1CC#C ZINC001032453704 897586041 /nfs/dbraw/zinc/58/60/41/897586041.db2.gz KNZJBTVOJGNEHS-JYJNAYRXSA-N 2 1 285.391 0.392 20 30 CCEDMP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1CC#C ZINC001032453704 897586050 /nfs/dbraw/zinc/58/60/50/897586050.db2.gz KNZJBTVOJGNEHS-JYJNAYRXSA-N 2 1 285.391 0.392 20 30 CCEDMP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cncn2c1 ZINC001032520643 897693199 /nfs/dbraw/zinc/69/31/99/897693199.db2.gz AQXVYCXBDJJJJU-GJZGRUSLSA-N 2 1 280.331 0.866 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032780694 898176101 /nfs/dbraw/zinc/17/61/01/898176101.db2.gz AQCKZHRVWABHOG-RDBSUJKOSA-N 2 1 263.385 0.799 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032780694 898176106 /nfs/dbraw/zinc/17/61/06/898176106.db2.gz AQCKZHRVWABHOG-RDBSUJKOSA-N 2 1 263.385 0.799 20 30 CCEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001485838640 898364077 /nfs/dbraw/zinc/36/40/77/898364077.db2.gz VRIJRBKOSBZQQU-GJZGRUSLSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001485838640 898364086 /nfs/dbraw/zinc/36/40/86/898364086.db2.gz VRIJRBKOSBZQQU-GJZGRUSLSA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001486348803 898825962 /nfs/dbraw/zinc/82/59/62/898825962.db2.gz HMUDWXMCFWSVSE-KGLIPLIRSA-N 2 1 283.416 0.101 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001486519783 898920302 /nfs/dbraw/zinc/92/03/02/898920302.db2.gz XLGLFZZRCNBRHK-HNNXBMFYSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001486519783 898920316 /nfs/dbraw/zinc/92/03/16/898920316.db2.gz XLGLFZZRCNBRHK-HNNXBMFYSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001486519783 898920323 /nfs/dbraw/zinc/92/03/23/898920323.db2.gz XLGLFZZRCNBRHK-HNNXBMFYSA-N 2 1 275.396 0.710 20 30 CCEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@@H+](C)C1CC1 ZINC000884210827 900836913 /nfs/dbraw/zinc/83/69/13/900836913.db2.gz KVTGKFXXHPHJAS-AJAZOQAWSA-N 2 1 290.411 0.725 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969712 903846366 /nfs/dbraw/zinc/84/63/66/903846366.db2.gz XMPNIGWRYPILKK-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001281184435 904239805 /nfs/dbraw/zinc/23/98/05/904239805.db2.gz JXAKBEFEWBHMPG-GOEBONIOSA-N 2 1 295.427 0.457 20 30 CCEDMP C#CC[NH2+]CC1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001282029104 904395410 /nfs/dbraw/zinc/39/54/10/904395410.db2.gz PHQFVHBPZMEPIP-UHFFFAOYSA-N 2 1 260.341 0.309 20 30 CCEDMP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001282498557 904496500 /nfs/dbraw/zinc/49/65/00/904496500.db2.gz YTMNQIARBDLHDM-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001282498557 904496507 /nfs/dbraw/zinc/49/65/07/904496507.db2.gz YTMNQIARBDLHDM-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001282498557 904496508 /nfs/dbraw/zinc/49/65/08/904496508.db2.gz YTMNQIARBDLHDM-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001282498557 904496511 /nfs/dbraw/zinc/49/65/11/904496511.db2.gz YTMNQIARBDLHDM-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001283583235 904915423 /nfs/dbraw/zinc/91/54/23/904915423.db2.gz SNKQVAAAIXFAEH-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001317244755 907996769 /nfs/dbraw/zinc/99/67/69/907996769.db2.gz MEMLTULSDPODNF-OLZOCXBDSA-N 2 1 251.374 0.588 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001303598983 908106241 /nfs/dbraw/zinc/10/62/41/908106241.db2.gz NDQXXQCZTKPYRT-QWHCGFSZSA-N 2 1 251.374 0.799 20 30 CCEDMP C#CC[N@H+](CC)CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001316907732 908833435 /nfs/dbraw/zinc/83/34/35/908833435.db2.gz QWHADSURVDDFPR-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001316989695 908901780 /nfs/dbraw/zinc/90/17/80/908901780.db2.gz HIPBRBCXXJEUBR-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001316989695 908901786 /nfs/dbraw/zinc/90/17/86/908901786.db2.gz HIPBRBCXXJEUBR-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001317122028 908997778 /nfs/dbraw/zinc/99/77/78/908997778.db2.gz MRNQYCXYKMBXIE-OKILXGFUSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001317167780 909021570 /nfs/dbraw/zinc/02/15/70/909021570.db2.gz RQVRLTJNDQJJCJ-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001317167780 909021585 /nfs/dbraw/zinc/02/15/85/909021585.db2.gz RQVRLTJNDQJJCJ-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=C)C ZINC001317252221 909094837 /nfs/dbraw/zinc/09/48/37/909094837.db2.gz DOYCHWJGOLAIMJ-KGLIPLIRSA-N 2 1 263.385 0.754 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=C)C ZINC001317252221 909094852 /nfs/dbraw/zinc/09/48/52/909094852.db2.gz DOYCHWJGOLAIMJ-KGLIPLIRSA-N 2 1 263.385 0.754 20 30 CCEDMP C=CC[NH+](CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001317562291 909336044 /nfs/dbraw/zinc/33/60/44/909336044.db2.gz XWNZWEGVAXLLJK-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001317562291 909336063 /nfs/dbraw/zinc/33/60/63/909336063.db2.gz XWNZWEGVAXLLJK-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)C1CC1 ZINC001317562291 909336078 /nfs/dbraw/zinc/33/60/78/909336078.db2.gz XWNZWEGVAXLLJK-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)C1CC1 ZINC001317562291 909336094 /nfs/dbraw/zinc/33/60/94/909336094.db2.gz XWNZWEGVAXLLJK-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001318445078 909758760 /nfs/dbraw/zinc/75/87/60/909758760.db2.gz JHGMOSYDNYNUJY-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001318445078 909758768 /nfs/dbraw/zinc/75/87/68/909758768.db2.gz JHGMOSYDNYNUJY-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001318445078 909758784 /nfs/dbraw/zinc/75/87/84/909758784.db2.gz JHGMOSYDNYNUJY-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C(C)C ZINC001321098570 911083907 /nfs/dbraw/zinc/08/39/07/911083907.db2.gz WYLOPANALUANJZ-GJBLVYBDSA-N 2 1 263.385 0.754 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C(C)C ZINC001321098570 911083926 /nfs/dbraw/zinc/08/39/26/911083926.db2.gz WYLOPANALUANJZ-GJBLVYBDSA-N 2 1 263.385 0.754 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001322298223 911752282 /nfs/dbraw/zinc/75/22/82/911752282.db2.gz JVYGHNMVUCJDPK-UONOGXRCSA-N 2 1 281.400 0.024 20 30 CCEDMP N#CCCN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001329315657 915813031 /nfs/dbraw/zinc/81/30/31/915813031.db2.gz JGKLPXGZZZWCCP-ZDUSSCGKSA-N 2 1 264.373 0.039 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001330041431 916374535 /nfs/dbraw/zinc/37/45/35/916374535.db2.gz ZMNPWSZKQQNVCF-GFCCVEGCSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001332621680 918322292 /nfs/dbraw/zinc/32/22/92/918322292.db2.gz VLIUBIPWHQBTFP-CABCVRRESA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001332621680 918322307 /nfs/dbraw/zinc/32/23/07/918322307.db2.gz VLIUBIPWHQBTFP-CABCVRRESA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001332621680 918322308 /nfs/dbraw/zinc/32/23/08/918322308.db2.gz VLIUBIPWHQBTFP-CABCVRRESA-N 2 1 297.443 0.798 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC001335350724 920137306 /nfs/dbraw/zinc/13/73/06/920137306.db2.gz IPMRFNVKBIAUON-CQSZACIVSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001341601131 922576997 /nfs/dbraw/zinc/57/69/97/922576997.db2.gz UZNJEGMVCSAMBR-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001348793181 924805505 /nfs/dbraw/zinc/80/55/05/924805505.db2.gz IIKDWUZPFCOLJG-ZFWWWQNUSA-N 2 1 292.427 0.141 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001357982112 926615467 /nfs/dbraw/zinc/61/54/67/926615467.db2.gz UOOIDCFGACFVKJ-MRXNPFEDSA-N 2 1 285.391 0.908 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001357982112 926615476 /nfs/dbraw/zinc/61/54/76/926615476.db2.gz UOOIDCFGACFVKJ-MRXNPFEDSA-N 2 1 285.391 0.908 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001357982105 926615803 /nfs/dbraw/zinc/61/58/03/926615803.db2.gz UOOIDCFGACFVKJ-INIZCTEOSA-N 2 1 285.391 0.908 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001357982105 926615808 /nfs/dbraw/zinc/61/58/08/926615808.db2.gz UOOIDCFGACFVKJ-INIZCTEOSA-N 2 1 285.391 0.908 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000073436540 348952129 /nfs/dbraw/zinc/95/21/29/348952129.db2.gz GMOUCHOSSBRTAT-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000073436540 348952131 /nfs/dbraw/zinc/95/21/31/348952131.db2.gz GMOUCHOSSBRTAT-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+](C)CCCN(C)CC[NH+](C)C)C1=O ZINC000344062194 355783624 /nfs/dbraw/zinc/78/36/24/355783624.db2.gz MVGDCWKJAKAQAD-OAHLLOKOSA-N 2 1 296.459 0.589 20 30 CCEDMP N#Cc1ccccc1OC[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000402131759 357808368 /nfs/dbraw/zinc/80/83/68/357808368.db2.gz FDAPPRFTXJBWQU-SOUVJXGZSA-N 2 1 287.363 0.449 20 30 CCEDMP C#C[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000491640714 358295771 /nfs/dbraw/zinc/29/57/71/358295771.db2.gz ORKZPWCCNSYQFF-LBPRGKRZSA-N 2 1 263.385 0.683 20 30 CCEDMP C#C[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000491640714 358295773 /nfs/dbraw/zinc/29/57/73/358295773.db2.gz ORKZPWCCNSYQFF-LBPRGKRZSA-N 2 1 263.385 0.683 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595623917 360601990 /nfs/dbraw/zinc/60/19/90/360601990.db2.gz YKMLFPYIYNETFY-CQSZACIVSA-N 2 1 278.400 0.776 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595623917 360601996 /nfs/dbraw/zinc/60/19/96/360601996.db2.gz YKMLFPYIYNETFY-CQSZACIVSA-N 2 1 278.400 0.776 20 30 CCEDMP C[NH+](C)CCC[N@H+](C)CCNc1ccnc(C#N)c1 ZINC000596425909 360891441 /nfs/dbraw/zinc/89/14/41/360891441.db2.gz YLUMXRJOUNSWQY-UHFFFAOYSA-N 2 1 261.373 0.671 20 30 CCEDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccnc(C#N)c1 ZINC000596425909 360891442 /nfs/dbraw/zinc/89/14/42/360891442.db2.gz YLUMXRJOUNSWQY-UHFFFAOYSA-N 2 1 261.373 0.671 20 30 CCEDMP C=CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000656479607 412809925 /nfs/dbraw/zinc/80/99/25/412809925.db2.gz VHGQNIPLSQWOAK-ZIAGYGMSSA-N 2 1 293.411 0.964 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503838 389152824 /nfs/dbraw/zinc/15/28/24/389152824.db2.gz GYBJFDZWVLUBMO-LBPRGKRZSA-N 2 1 251.374 0.753 20 30 CCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC[NH+]1CCCCC1 ZINC000329476990 389165505 /nfs/dbraw/zinc/16/55/05/389165505.db2.gz PQXHEXKRVNOFRJ-CQSZACIVSA-N 2 1 297.447 0.222 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1ccnc1 ZINC000264062361 389303993 /nfs/dbraw/zinc/30/39/93/389303993.db2.gz DFGWISUVMLMRND-CYBMUJFWSA-N 2 1 278.404 0.662 20 30 CCEDMP CN(C)C(=[NH2+])NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000267475276 389372118 /nfs/dbraw/zinc/37/21/18/389372118.db2.gz ZCNOSSCPALLQHM-UHFFFAOYSA-N 2 1 260.385 0.962 20 30 CCEDMP C=CCOCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000348044566 389362932 /nfs/dbraw/zinc/36/29/32/389362932.db2.gz HCRSKRUYUNAUTF-UHFFFAOYSA-N 2 1 298.427 0.738 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)[C@H]1CCC[C@@H]1O)[C@@H]1CCC[C@@H]1O ZINC000352666961 389833953 /nfs/dbraw/zinc/83/39/53/389833953.db2.gz IQSPPCXKVPKATN-FZKCQIBNSA-N 2 1 280.412 0.680 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1CCC[C@@H]1O)[C@H]1CCC[C@@H]1O ZINC000352666961 389833957 /nfs/dbraw/zinc/83/39/57/389833957.db2.gz IQSPPCXKVPKATN-FZKCQIBNSA-N 2 1 280.412 0.680 20 30 CCEDMP C[NH+](CC#CC[N@@H+](C)[C@@H]1CCC[C@@H]1O)[C@H]1CCC[C@@H]1O ZINC000352666961 389833961 /nfs/dbraw/zinc/83/39/61/389833961.db2.gz IQSPPCXKVPKATN-FZKCQIBNSA-N 2 1 280.412 0.680 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000420303296 389981044 /nfs/dbraw/zinc/98/10/44/389981044.db2.gz CRJHYQVIQBAGMM-OLZOCXBDSA-N 2 1 251.374 0.834 20 30 CCEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000564098693 390494703 /nfs/dbraw/zinc/49/47/03/390494703.db2.gz WRRVYYMNXNCWNB-MCIONIFRSA-N 2 1 272.389 0.249 20 30 CCEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000564098693 390494709 /nfs/dbraw/zinc/49/47/09/390494709.db2.gz WRRVYYMNXNCWNB-MCIONIFRSA-N 2 1 272.389 0.249 20 30 CCEDMP C=CC[C@@]1(C(=O)NC[C@H]2CC[N@H+](C)C2)CCC[NH2+]1 ZINC000662683108 414740664 /nfs/dbraw/zinc/74/06/64/414740664.db2.gz VTGOFRXUAYXNOO-OCCSQVGLSA-N 2 1 251.374 0.753 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000364036228 262111656 /nfs/dbraw/zinc/11/16/56/262111656.db2.gz JMNCJXIZMYDWKQ-NEPJUHHUSA-N 2 1 252.362 0.540 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NC[C@H]1CCCO1 ZINC000262535739 262776403 /nfs/dbraw/zinc/77/64/03/262776403.db2.gz JTILSJDVQROJPG-GFCCVEGCSA-N 2 1 265.361 0.536 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1snnc1C ZINC000262686145 262783652 /nfs/dbraw/zinc/78/36/52/262783652.db2.gz DOBJKMZPESYHNL-SNVBAGLBSA-N 2 1 282.417 0.735 20 30 CCEDMP OCC[C@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@H]1CCO ZINC000342127120 263390464 /nfs/dbraw/zinc/39/04/64/263390464.db2.gz LPTSJIAZIJMBLE-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP OCC[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1CCO ZINC000342127120 263390468 /nfs/dbraw/zinc/39/04/68/263390468.db2.gz LPTSJIAZIJMBLE-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP OCC[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1CCO ZINC000342127120 263390469 /nfs/dbraw/zinc/39/04/69/263390469.db2.gz LPTSJIAZIJMBLE-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000125840841 264070947 /nfs/dbraw/zinc/07/09/47/264070947.db2.gz AUDATBYTYOANDJ-OLZOCXBDSA-N 2 1 251.374 0.753 20 30 CCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368615405 267191228 /nfs/dbraw/zinc/19/12/28/267191228.db2.gz QIFQGWLYDVRNTB-JHJVBQTASA-N 2 1 251.374 0.751 20 30 CCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261750488 327132579 /nfs/dbraw/zinc/13/25/79/327132579.db2.gz NICLPDWBJWEKTB-CABCVRRESA-N 2 1 273.380 0.963 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261750488 327132581 /nfs/dbraw/zinc/13/25/81/327132581.db2.gz NICLPDWBJWEKTB-CABCVRRESA-N 2 1 273.380 0.963 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])NC(C)C)C1 ZINC000262188184 330001486 /nfs/dbraw/zinc/00/14/86/330001486.db2.gz CAQRDJUYLVLBEV-LBPRGKRZSA-N 2 1 256.394 0.656 20 30 CCEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NC[C@@H]1CCOC1 ZINC000262792192 330031869 /nfs/dbraw/zinc/03/18/69/330031869.db2.gz KXSRONBZUXVTEO-NEPJUHHUSA-N 2 1 254.378 0.140 20 30 CCEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423014741 330165321 /nfs/dbraw/zinc/16/53/21/330165321.db2.gz JECLJTKOUZXVCG-XQLPTFJDSA-N 2 1 268.401 0.918 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000424145720 330291520 /nfs/dbraw/zinc/29/15/20/330291520.db2.gz OIFPDSKLWKBQCQ-RYUDHWBXSA-N 2 1 250.346 0.314 20 30 CCEDMP CCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424155233 330302006 /nfs/dbraw/zinc/30/20/06/330302006.db2.gz MOVAZMPTIQKDOS-GFCCVEGCSA-N 2 1 254.378 0.856 20 30 CCEDMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424172831 330312861 /nfs/dbraw/zinc/31/28/61/330312861.db2.gz KTIXQTJDFRNTKB-QWHCGFSZSA-N 2 1 266.389 0.806 20 30 CCEDMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424172831 330312862 /nfs/dbraw/zinc/31/28/62/330312862.db2.gz KTIXQTJDFRNTKB-QWHCGFSZSA-N 2 1 266.389 0.806 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000490606394 332095324 /nfs/dbraw/zinc/09/53/24/332095324.db2.gz ZAEWXQDILBPEPV-UHFFFAOYSA-N 2 1 274.368 0.653 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000490912862 332128177 /nfs/dbraw/zinc/12/81/77/332128177.db2.gz BCQVVWJKKTXEMG-KGLIPLIRSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000491780650 332344904 /nfs/dbraw/zinc/34/49/04/332344904.db2.gz FDVVWYRKFPFAAP-ZIAGYGMSSA-N 2 1 280.416 0.758 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000491800574 332355226 /nfs/dbraw/zinc/35/52/26/332355226.db2.gz AHBMXEPUCFHSHZ-AWEZNQCLSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+]1CC ZINC000491800574 332355227 /nfs/dbraw/zinc/35/52/27/332355227.db2.gz AHBMXEPUCFHSHZ-AWEZNQCLSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+]1CC ZINC000491800574 332355228 /nfs/dbraw/zinc/35/52/28/332355228.db2.gz AHBMXEPUCFHSHZ-AWEZNQCLSA-N 2 1 280.416 0.725 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000564843215 334523614 /nfs/dbraw/zinc/52/36/14/334523614.db2.gz BEMRNZYSDCGWLE-MRXNPFEDSA-N 2 1 297.443 0.310 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCC[NH+](C)C ZINC000747398185 581241297 /nfs/dbraw/zinc/24/12/97/581241297.db2.gz ACOAWVBEYVTIQL-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCC[NH+](C)C ZINC000747398185 581241299 /nfs/dbraw/zinc/24/12/99/581241299.db2.gz ACOAWVBEYVTIQL-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000780743210 581243574 /nfs/dbraw/zinc/24/35/74/581243574.db2.gz UPDGZWUNGKWRFW-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000780743210 581243575 /nfs/dbraw/zinc/24/35/75/581243575.db2.gz UPDGZWUNGKWRFW-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC)CC[NH+](C)C ZINC000732307181 581819308 /nfs/dbraw/zinc/81/93/08/581819308.db2.gz BBNZQDXIBDPJLY-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC)CC[NH+](C)C ZINC000732307181 581819310 /nfs/dbraw/zinc/81/93/10/581819310.db2.gz BBNZQDXIBDPJLY-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000746673329 581922209 /nfs/dbraw/zinc/92/22/09/581922209.db2.gz AUJVEGMFIKTQOB-CQSZACIVSA-N 2 1 296.415 0.449 20 30 CCEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000746673329 581922210 /nfs/dbraw/zinc/92/22/10/581922210.db2.gz AUJVEGMFIKTQOB-CQSZACIVSA-N 2 1 296.415 0.449 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000764290329 582041185 /nfs/dbraw/zinc/04/11/85/582041185.db2.gz WRGOAUSVQAZHFV-GFCCVEGCSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000958415378 613044602 /nfs/dbraw/zinc/04/46/02/613044602.db2.gz UJVVXCJGLUTLRM-RQJABVFESA-N 2 1 261.369 0.150 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958415378 613044604 /nfs/dbraw/zinc/04/46/04/613044604.db2.gz UJVVXCJGLUTLRM-RQJABVFESA-N 2 1 261.369 0.150 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958415378 613044605 /nfs/dbraw/zinc/04/46/05/613044605.db2.gz UJVVXCJGLUTLRM-RQJABVFESA-N 2 1 261.369 0.150 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000894863356 613078777 /nfs/dbraw/zinc/07/87/77/613078777.db2.gz AGICSPCLUWHYOG-KBPBESRZSA-N 2 1 254.374 0.583 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000894863356 613078779 /nfs/dbraw/zinc/07/87/79/613078779.db2.gz AGICSPCLUWHYOG-KBPBESRZSA-N 2 1 254.374 0.583 20 30 CCEDMP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000981523838 612958795 /nfs/dbraw/zinc/95/87/95/612958795.db2.gz LGPIUFQIFRDNPB-KGLIPLIRSA-N 2 1 274.368 0.842 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000969674214 612962788 /nfs/dbraw/zinc/96/27/88/612962788.db2.gz IFWNZPGPOYHKGD-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000970795827 612963804 /nfs/dbraw/zinc/96/38/04/612963804.db2.gz HAWLTDLURYCSHG-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCOCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000851763128 612983487 /nfs/dbraw/zinc/98/34/87/612983487.db2.gz JZSHIHVUXHEFLU-INIZCTEOSA-N 2 1 279.428 0.738 20 30 CCEDMP C#CCOCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000851763128 612983488 /nfs/dbraw/zinc/98/34/88/612983488.db2.gz JZSHIHVUXHEFLU-INIZCTEOSA-N 2 1 279.428 0.738 20 30 CCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970911007 612994120 /nfs/dbraw/zinc/99/41/20/612994120.db2.gz RLNDKPSWENUHFZ-HIFRSBDPSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970911007 612994122 /nfs/dbraw/zinc/99/41/22/612994122.db2.gz RLNDKPSWENUHFZ-HIFRSBDPSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000969969918 612996652 /nfs/dbraw/zinc/99/66/52/612996652.db2.gz QFBITMBTUDGNES-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000960177037 613043520 /nfs/dbraw/zinc/04/35/20/613043520.db2.gz UZXHKEUOLUVGDZ-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC000960177037 613043521 /nfs/dbraw/zinc/04/35/21/613043521.db2.gz UZXHKEUOLUVGDZ-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC000960177037 613043522 /nfs/dbraw/zinc/04/35/22/613043522.db2.gz UZXHKEUOLUVGDZ-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000838624452 613073783 /nfs/dbraw/zinc/07/37/83/613073783.db2.gz ZJJCWUGFVMYEGI-UHFFFAOYSA-N 2 1 294.443 0.925 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000836315161 613076826 /nfs/dbraw/zinc/07/68/26/613076826.db2.gz BUFRTEFLDUELRY-HNNXBMFYSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000836315161 613076827 /nfs/dbraw/zinc/07/68/27/613076827.db2.gz BUFRTEFLDUELRY-HNNXBMFYSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000836315161 613076829 /nfs/dbraw/zinc/07/68/29/613076829.db2.gz BUFRTEFLDUELRY-HNNXBMFYSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971561670 613083040 /nfs/dbraw/zinc/08/30/40/613083040.db2.gz ZWKSEWMOWYTKPU-MGPQQGTHSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971561670 613083041 /nfs/dbraw/zinc/08/30/41/613083041.db2.gz ZWKSEWMOWYTKPU-MGPQQGTHSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971561670 613083043 /nfs/dbraw/zinc/08/30/43/613083043.db2.gz ZWKSEWMOWYTKPU-MGPQQGTHSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971793694 613092826 /nfs/dbraw/zinc/09/28/26/613092826.db2.gz FOKODKOOYFNMKI-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971793694 613092827 /nfs/dbraw/zinc/09/28/27/613092827.db2.gz FOKODKOOYFNMKI-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971793694 613092829 /nfs/dbraw/zinc/09/28/29/613092829.db2.gz FOKODKOOYFNMKI-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969660014 613123462 /nfs/dbraw/zinc/12/34/62/613123462.db2.gz MFTLDRJSDSAGNF-ZFWWWQNUSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969660014 613123464 /nfs/dbraw/zinc/12/34/64/613123464.db2.gz MFTLDRJSDSAGNF-ZFWWWQNUSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000925434242 613134452 /nfs/dbraw/zinc/13/44/52/613134452.db2.gz ZXQSVSVAGIUZRH-ZDUSSCGKSA-N 2 1 264.373 0.087 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000981893850 613141619 /nfs/dbraw/zinc/14/16/19/613141619.db2.gz OZZGSEUJDHDBSM-UHFFFAOYSA-N 2 1 286.379 0.749 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000981893850 613141621 /nfs/dbraw/zinc/14/16/21/613141621.db2.gz OZZGSEUJDHDBSM-UHFFFAOYSA-N 2 1 286.379 0.749 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000981962735 613151738 /nfs/dbraw/zinc/15/17/38/613151738.db2.gz UTCLIBNZOQPAJP-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000981962735 613151739 /nfs/dbraw/zinc/15/17/39/613151739.db2.gz UTCLIBNZOQPAJP-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000981962735 613151740 /nfs/dbraw/zinc/15/17/40/613151740.db2.gz UTCLIBNZOQPAJP-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000981962735 613151741 /nfs/dbraw/zinc/15/17/41/613151741.db2.gz UTCLIBNZOQPAJP-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000981197921 613155615 /nfs/dbraw/zinc/15/56/15/613155615.db2.gz RUYWYWWKYQUZFK-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000981197921 613155616 /nfs/dbraw/zinc/15/56/16/613155616.db2.gz RUYWYWWKYQUZFK-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000981197921 613155617 /nfs/dbraw/zinc/15/56/17/613155617.db2.gz RUYWYWWKYQUZFK-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000981197921 613155618 /nfs/dbraw/zinc/15/56/18/613155618.db2.gz RUYWYWWKYQUZFK-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000829582762 613165689 /nfs/dbraw/zinc/16/56/89/613165689.db2.gz QBHJCNVECPIZFR-CYBMUJFWSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000829582762 613165691 /nfs/dbraw/zinc/16/56/91/613165691.db2.gz QBHJCNVECPIZFR-CYBMUJFWSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC000923561127 613181065 /nfs/dbraw/zinc/18/10/65/613181065.db2.gz RYRQXSAJVXVPSY-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC000923561127 613181067 /nfs/dbraw/zinc/18/10/67/613181067.db2.gz RYRQXSAJVXVPSY-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000923571397 613189289 /nfs/dbraw/zinc/18/92/89/613189289.db2.gz WYKPODSABJAJCS-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000923571397 613189292 /nfs/dbraw/zinc/18/92/92/613189292.db2.gz WYKPODSABJAJCS-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC=C)C1 ZINC000971703611 613196720 /nfs/dbraw/zinc/19/67/20/613196720.db2.gz JGBQFDGMHDKFCN-GJZGRUSLSA-N 2 1 275.396 0.803 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC=C)C1 ZINC000971703611 613196722 /nfs/dbraw/zinc/19/67/22/613196722.db2.gz JGBQFDGMHDKFCN-GJZGRUSLSA-N 2 1 275.396 0.803 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC=C)C1 ZINC000971703611 613196723 /nfs/dbraw/zinc/19/67/23/613196723.db2.gz JGBQFDGMHDKFCN-GJZGRUSLSA-N 2 1 275.396 0.803 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC=C)C1 ZINC000971703611 613196724 /nfs/dbraw/zinc/19/67/24/613196724.db2.gz JGBQFDGMHDKFCN-GJZGRUSLSA-N 2 1 275.396 0.803 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000923259998 613198070 /nfs/dbraw/zinc/19/80/70/613198070.db2.gz OAVSHMCVPADGGI-ZNMIVQPWSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000923259998 613198071 /nfs/dbraw/zinc/19/80/71/613198071.db2.gz OAVSHMCVPADGGI-ZNMIVQPWSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000923259998 613198073 /nfs/dbraw/zinc/19/80/73/613198073.db2.gz OAVSHMCVPADGGI-ZNMIVQPWSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000923259998 613198075 /nfs/dbraw/zinc/19/80/75/613198075.db2.gz OAVSHMCVPADGGI-ZNMIVQPWSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000811939234 613202114 /nfs/dbraw/zinc/20/21/14/613202114.db2.gz WIMFQOPZPVYOFA-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000811939234 613202116 /nfs/dbraw/zinc/20/21/16/613202116.db2.gz WIMFQOPZPVYOFA-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000811939234 613202119 /nfs/dbraw/zinc/20/21/19/613202119.db2.gz WIMFQOPZPVYOFA-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000811939234 613202121 /nfs/dbraw/zinc/20/21/21/613202121.db2.gz WIMFQOPZPVYOFA-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000811939234 613202123 /nfs/dbraw/zinc/20/21/23/613202123.db2.gz WIMFQOPZPVYOFA-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C[NH+]=C(NCc1ccco1)NC[C@H]1C[N@@H+](C)CCN1C ZINC000849008116 613220455 /nfs/dbraw/zinc/22/04/55/613220455.db2.gz REXLJLVAJMBXLB-LBPRGKRZSA-N 2 1 279.388 0.190 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972550525 613288390 /nfs/dbraw/zinc/28/83/90/613288390.db2.gz BZSRZGXYVWGRNI-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972550525 613288391 /nfs/dbraw/zinc/28/83/91/613288391.db2.gz BZSRZGXYVWGRNI-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000905098375 613304673 /nfs/dbraw/zinc/30/46/73/613304673.db2.gz RZNGUILRAUERHQ-HNNXBMFYSA-N 2 1 298.427 0.519 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900604144 613304772 /nfs/dbraw/zinc/30/47/72/613304772.db2.gz BBHLOLIDQNAUIT-GDBMZVCRSA-N 2 1 295.427 0.598 20 30 CCEDMP C#CCNC(=O)CC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879126867 613324041 /nfs/dbraw/zinc/32/40/41/613324041.db2.gz NVCVUVMFPKKCDY-UHFFFAOYSA-N 2 1 295.427 0.416 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000908345779 613364361 /nfs/dbraw/zinc/36/43/61/613364361.db2.gz DNCVTBZACAXGMT-STQMWFEESA-N 2 1 251.374 0.657 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000899991762 613364710 /nfs/dbraw/zinc/36/47/10/613364710.db2.gz YXYGQUYKIVDNHL-UHFFFAOYSA-N 2 1 282.432 0.248 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913281010 613366460 /nfs/dbraw/zinc/36/64/60/613366460.db2.gz JVETTXNPRZSZGN-GASCZTMLSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709583 613467359 /nfs/dbraw/zinc/46/73/59/613467359.db2.gz KYKNRGHTXYPVGX-XQQFMLRXSA-N 2 1 265.357 0.820 20 30 CCEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000969413382 613530372 /nfs/dbraw/zinc/53/03/72/613530372.db2.gz XZVZQSGEILVXAZ-OCCSQVGLSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000958415209 613564269 /nfs/dbraw/zinc/56/42/69/613564269.db2.gz QZSACERWONTDCP-RFQIPJPRSA-N 2 1 263.385 0.703 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958415209 613564270 /nfs/dbraw/zinc/56/42/70/613564270.db2.gz QZSACERWONTDCP-RFQIPJPRSA-N 2 1 263.385 0.703 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958415209 613564271 /nfs/dbraw/zinc/56/42/71/613564271.db2.gz QZSACERWONTDCP-RFQIPJPRSA-N 2 1 263.385 0.703 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000962659916 613564419 /nfs/dbraw/zinc/56/44/19/613564419.db2.gz BIXTWVSBNCNEOF-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000962659916 613564420 /nfs/dbraw/zinc/56/44/20/613564420.db2.gz BIXTWVSBNCNEOF-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962659916 613564421 /nfs/dbraw/zinc/56/44/21/613564421.db2.gz BIXTWVSBNCNEOF-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000962659916 613564422 /nfs/dbraw/zinc/56/44/22/613564422.db2.gz BIXTWVSBNCNEOF-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000923282760 613585682 /nfs/dbraw/zinc/58/56/82/613585682.db2.gz XQCNHHSXZJIVKQ-QWHCGFSZSA-N 2 1 269.389 0.100 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000960788993 613632979 /nfs/dbraw/zinc/63/29/79/613632979.db2.gz IRSGZTIFGYBMHN-FICVDOATSA-N 2 1 287.407 0.685 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971205350 613634002 /nfs/dbraw/zinc/63/40/02/613634002.db2.gz USZXBVHZHQEWIR-QWHCGFSZSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000971205350 613634003 /nfs/dbraw/zinc/63/40/03/613634003.db2.gz USZXBVHZHQEWIR-QWHCGFSZSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000971205350 613634005 /nfs/dbraw/zinc/63/40/05/613634005.db2.gz USZXBVHZHQEWIR-QWHCGFSZSA-N 2 1 251.374 0.799 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000960262523 613637364 /nfs/dbraw/zinc/63/73/64/613637364.db2.gz DARAHFFCWICAPC-CTASWTNQSA-N 2 1 298.390 0.830 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000960262523 613637365 /nfs/dbraw/zinc/63/73/65/613637365.db2.gz DARAHFFCWICAPC-CTASWTNQSA-N 2 1 298.390 0.830 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923486123 613851242 /nfs/dbraw/zinc/85/12/42/613851242.db2.gz NLOMPSABIANNFB-MNOVXSKESA-N 2 1 268.361 0.057 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000968909323 613864393 /nfs/dbraw/zinc/86/43/93/613864393.db2.gz FNYIFJBEWHDRGT-ZIAGYGMSSA-N 2 1 291.399 0.190 20 30 CCEDMP C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925635069 613885994 /nfs/dbraw/zinc/88/59/94/613885994.db2.gz OBLBZJJITRBDPT-QWRGUYRKSA-N 2 1 258.387 0.447 20 30 CCEDMP CCC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884412873 614709995 /nfs/dbraw/zinc/70/99/95/614709995.db2.gz CLNRRHXLCBZSLL-IOSBVQAASA-N 2 1 290.411 0.726 20 30 CCEDMP CCCC[N@@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884207081 614948737 /nfs/dbraw/zinc/94/87/37/614948737.db2.gz MAHIOTVMNGLDOR-BBBYJDLNSA-N 2 1 292.427 0.974 20 30 CCEDMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801962 616125794 /nfs/dbraw/zinc/12/57/94/616125794.db2.gz KXBPIWCDUHXWRQ-GJZGRUSLSA-N 2 1 286.379 0.389 20 30 CCEDMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852884329 616342830 /nfs/dbraw/zinc/34/28/30/616342830.db2.gz IJRIIIHAWDYSLP-JKSUJKDBSA-N 2 1 289.423 0.932 20 30 CCEDMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852884327 616448751 /nfs/dbraw/zinc/44/87/51/616448751.db2.gz IJRIIIHAWDYSLP-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001026043659 625326276 /nfs/dbraw/zinc/32/62/76/625326276.db2.gz ADKDYSBMJOYULQ-SEBNEYGDSA-N 2 1 277.412 0.807 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026043659 625326277 /nfs/dbraw/zinc/32/62/77/625326277.db2.gz ADKDYSBMJOYULQ-SEBNEYGDSA-N 2 1 277.412 0.807 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026043659 625326280 /nfs/dbraw/zinc/32/62/80/625326280.db2.gz ADKDYSBMJOYULQ-SEBNEYGDSA-N 2 1 277.412 0.807 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001026148451 625343848 /nfs/dbraw/zinc/34/38/48/625343848.db2.gz KFXTXZJVOXQFBO-GRYWWWGRSA-N 2 1 275.396 0.539 20 30 CCEDMP N#CC[C@@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930804893 625434251 /nfs/dbraw/zinc/43/42/51/625434251.db2.gz CLLHNAMJQUURLC-CQSZACIVSA-N 2 1 260.341 0.868 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023291820 622984340 /nfs/dbraw/zinc/98/43/40/622984340.db2.gz KYPOYEGKLZGUHR-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023291820 622984344 /nfs/dbraw/zinc/98/43/44/622984344.db2.gz KYPOYEGKLZGUHR-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023291820 622984348 /nfs/dbraw/zinc/98/43/48/622984348.db2.gz KYPOYEGKLZGUHR-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023291820 622984351 /nfs/dbraw/zinc/98/43/51/622984351.db2.gz KYPOYEGKLZGUHR-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703739 623107737 /nfs/dbraw/zinc/10/77/37/623107737.db2.gz TWSCIWIGVSYVFG-HNNXBMFYSA-N 2 1 289.423 0.934 20 30 CCEDMP C#CCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000177308282 623380611 /nfs/dbraw/zinc/38/06/11/623380611.db2.gz MEJVHKBOFMJWCC-UHFFFAOYSA-N 2 1 252.362 0.026 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027346077 625842722 /nfs/dbraw/zinc/84/27/22/625842722.db2.gz CQOPALLZBRITFY-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027346077 625842724 /nfs/dbraw/zinc/84/27/24/625842724.db2.gz CQOPALLZBRITFY-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001027346077 625842725 /nfs/dbraw/zinc/84/27/25/625842725.db2.gz CQOPALLZBRITFY-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001027346077 625842726 /nfs/dbraw/zinc/84/27/26/625842726.db2.gz CQOPALLZBRITFY-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027556197 630750118 /nfs/dbraw/zinc/75/01/18/630750118.db2.gz ZEHXOXKTWQRSMI-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000261772879 631581754 /nfs/dbraw/zinc/58/17/54/631581754.db2.gz MYLGIXXLUBMAFU-GFCCVEGCSA-N 2 1 254.378 0.410 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000985441558 632482837 /nfs/dbraw/zinc/48/28/37/632482837.db2.gz KEIRIGIHUQSRPF-UKRRQHHQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000985441558 632482856 /nfs/dbraw/zinc/48/28/56/632482856.db2.gz KEIRIGIHUQSRPF-UKRRQHHQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000985441558 632482865 /nfs/dbraw/zinc/48/28/65/632482865.db2.gz KEIRIGIHUQSRPF-UKRRQHHQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000985787792 632642832 /nfs/dbraw/zinc/64/28/32/632642832.db2.gz QCHPODXKGWTFRF-CYBMUJFWSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985787792 632642834 /nfs/dbraw/zinc/64/28/34/632642834.db2.gz QCHPODXKGWTFRF-CYBMUJFWSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985787792 632642838 /nfs/dbraw/zinc/64/28/38/632642838.db2.gz QCHPODXKGWTFRF-CYBMUJFWSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000987531088 632876777 /nfs/dbraw/zinc/87/67/77/632876777.db2.gz JWLDDPZTAUHZGN-DGCLKSJQSA-N 2 1 260.341 0.404 20 30 CCEDMP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989562130 633329344 /nfs/dbraw/zinc/32/93/44/633329344.db2.gz NBBNLIAXZGLDBK-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000990244910 633493667 /nfs/dbraw/zinc/49/36/67/633493667.db2.gz PIBXYEJBRZTCAE-ZDUSSCGKSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001009517295 650147387 /nfs/dbraw/zinc/14/73/87/650147387.db2.gz BKQSSEGWJPTLBL-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001009517295 650147390 /nfs/dbraw/zinc/14/73/90/650147390.db2.gz BKQSSEGWJPTLBL-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCN1CCC[C@H](NC(=O)Cc2[nH]cnc2C)[C@@H]1C ZINC000994299313 637919382 /nfs/dbraw/zinc/91/93/82/637919382.db2.gz VRJVZSRXAVXPFV-STQMWFEESA-N 2 1 274.368 0.863 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC000996301199 638814986 /nfs/dbraw/zinc/81/49/86/638814986.db2.gz RVSQZZDBJPCCTR-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000996994358 638847699 /nfs/dbraw/zinc/84/76/99/638847699.db2.gz HMHBTQJHIJPMNO-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997334776 638862819 /nfs/dbraw/zinc/86/28/19/638862819.db2.gz HGZXQVFNHQFGCT-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997334776 638862822 /nfs/dbraw/zinc/86/28/22/638862822.db2.gz HGZXQVFNHQFGCT-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000469502 639096250 /nfs/dbraw/zinc/09/62/50/639096250.db2.gz XZCBGDWQIBFHBL-CQSZACIVSA-N 2 1 281.400 0.475 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003624071 639581084 /nfs/dbraw/zinc/58/10/84/639581084.db2.gz KXNBJUXHVUVNFA-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001005208167 639889623 /nfs/dbraw/zinc/88/96/23/639889623.db2.gz CHRSLRUFTULKIJ-HNNXBMFYSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001005208167 639889624 /nfs/dbraw/zinc/88/96/24/639889624.db2.gz CHRSLRUFTULKIJ-HNNXBMFYSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003254 650673663 /nfs/dbraw/zinc/67/36/63/650673663.db2.gz FCOHYLORAAEFFV-ZDUSSCGKSA-N 2 1 261.369 0.296 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003254 650673667 /nfs/dbraw/zinc/67/36/67/650673667.db2.gz FCOHYLORAAEFFV-ZDUSSCGKSA-N 2 1 261.369 0.296 20 30 CCEDMP C#CC[C@H]1CCC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000829810308 642194694 /nfs/dbraw/zinc/19/46/94/642194694.db2.gz NROPBVGWLZZRLI-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000829810308 642194698 /nfs/dbraw/zinc/19/46/98/642194698.db2.gz NROPBVGWLZZRLI-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000829810308 642194706 /nfs/dbraw/zinc/19/47/06/642194706.db2.gz NROPBVGWLZZRLI-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016631673 650750644 /nfs/dbraw/zinc/75/06/44/650750644.db2.gz ABRSMAOCQJOAKG-KFWWJZLASA-N 2 1 289.423 0.931 20 30 CCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCC#N ZINC000854026024 644170514 /nfs/dbraw/zinc/17/05/14/644170514.db2.gz YDMPMBSHHXYQNU-LBPRGKRZSA-N 2 1 269.393 0.471 20 30 CCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCC#N ZINC000854026024 644170517 /nfs/dbraw/zinc/17/05/17/644170517.db2.gz YDMPMBSHHXYQNU-LBPRGKRZSA-N 2 1 269.393 0.471 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001019030994 650931782 /nfs/dbraw/zinc/93/17/82/650931782.db2.gz DQFCFRIHAOJFNV-FRRDWIJNSA-N 2 1 267.373 0.082 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001019030994 650931786 /nfs/dbraw/zinc/93/17/86/650931786.db2.gz DQFCFRIHAOJFNV-FRRDWIJNSA-N 2 1 267.373 0.082 20 30 CCEDMP CC(C)[C@H](C[NH+]=C(N(C)C)N(C)C)N1CC[NH+](C)CC1 ZINC000303775267 649824539 /nfs/dbraw/zinc/82/45/39/649824539.db2.gz GQMRSLFBXRYOOP-AWEZNQCLSA-N 2 1 283.464 0.738 20 30 CCEDMP CC(C)[C@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCN(C)CC1 ZINC000303775267 649824540 /nfs/dbraw/zinc/82/45/40/649824540.db2.gz GQMRSLFBXRYOOP-AWEZNQCLSA-N 2 1 283.464 0.738 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCCOC ZINC000303868666 649825929 /nfs/dbraw/zinc/82/59/29/649825929.db2.gz DKNFAUKXFGYBJA-GFCCVEGCSA-N 2 1 272.393 0.038 20 30 CCEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH+]=C(N(C)C)N(C)C ZINC000303975203 649827381 /nfs/dbraw/zinc/82/73/81/649827381.db2.gz IUPIKSVVRRRFDW-ZDUSSCGKSA-N 2 1 297.447 0.408 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCC(F)(F)F ZINC000304752776 649838181 /nfs/dbraw/zinc/83/81/81/649838181.db2.gz KOTRCLBAAZXHRR-UHFFFAOYSA-N 2 1 282.310 0.565 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOC[C@@H]1CCCO1 ZINC000304757116 649838279 /nfs/dbraw/zinc/83/82/79/649838279.db2.gz OJSJPLWOELQKRB-KGLIPLIRSA-N 2 1 298.431 0.571 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000305048276 649840895 /nfs/dbraw/zinc/84/08/95/649840895.db2.gz ZCNYNMBCNLVOIM-STQMWFEESA-N 2 1 270.421 0.904 20 30 CCEDMP C#CCN1CC[NH+](CCCNC(=O)C[N@H+](C)CCC)CC1 ZINC001266276041 790381715 /nfs/dbraw/zinc/38/17/15/790381715.db2.gz WMNFZKDVLATDEI-UHFFFAOYSA-N 2 1 294.443 0.085 20 30 CCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001266533689 790885952 /nfs/dbraw/zinc/88/59/52/790885952.db2.gz OHDWLAFOYOEGKT-KBPBESRZSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001266533689 790885961 /nfs/dbraw/zinc/88/59/61/790885961.db2.gz OHDWLAFOYOEGKT-KBPBESRZSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001266533689 790885976 /nfs/dbraw/zinc/88/59/76/790885976.db2.gz OHDWLAFOYOEGKT-KBPBESRZSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266676379 791124354 /nfs/dbraw/zinc/12/43/54/791124354.db2.gz IVKRTVPGXBCKJB-MJBXVCDLSA-N 2 1 281.400 0.520 20 30 CCEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266676379 791124361 /nfs/dbraw/zinc/12/43/61/791124361.db2.gz IVKRTVPGXBCKJB-MJBXVCDLSA-N 2 1 281.400 0.520 20 30 CCEDMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001277710340 805975654 /nfs/dbraw/zinc/97/56/54/805975654.db2.gz XADSURZHGDHRIQ-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001267249429 793243538 /nfs/dbraw/zinc/24/35/38/793243538.db2.gz VXYNBSPAWVVEBN-UHFFFAOYSA-N 2 1 251.374 0.400 20 30 CCEDMP N#Cc1cccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1F ZINC001234995345 806341385 /nfs/dbraw/zinc/34/13/85/806341385.db2.gz WBVYWUHCEHTWPE-HNNXBMFYSA-N 2 1 274.343 0.835 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001122447563 799238007 /nfs/dbraw/zinc/23/80/07/799238007.db2.gz FPQTXWPBYFYBIX-RDBSUJKOSA-N 2 1 282.432 0.421 20 30 CCEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161206473 799880791 /nfs/dbraw/zinc/88/07/91/799880791.db2.gz JXCRARSFJYFPOC-GDBMZVCRSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161206473 799880802 /nfs/dbraw/zinc/88/08/02/799880802.db2.gz JXCRARSFJYFPOC-GDBMZVCRSA-N 2 1 289.423 0.956 20 30 CCEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152556549 800536451 /nfs/dbraw/zinc/53/64/51/800536451.db2.gz CLWDHZRIDORNMY-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152556549 800536459 /nfs/dbraw/zinc/53/64/59/800536459.db2.gz CLWDHZRIDORNMY-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152556549 800536465 /nfs/dbraw/zinc/53/64/65/800536465.db2.gz CLWDHZRIDORNMY-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152556549 800536473 /nfs/dbraw/zinc/53/64/73/800536473.db2.gz CLWDHZRIDORNMY-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP Cc1[nH+]c(NC[C@@]23C[NH2+][C@@H](CO2)C3)ccc1CC#N ZINC001155545122 801004544 /nfs/dbraw/zinc/00/45/44/801004544.db2.gz KIOIZSLVJHZFDK-TZMCWYRMSA-N 2 1 258.325 0.999 20 30 CCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156373962 801158448 /nfs/dbraw/zinc/15/84/48/801158448.db2.gz GXLSLJDLNCVGTI-CQSZACIVSA-N 2 1 283.416 0.415 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001156721414 801223380 /nfs/dbraw/zinc/22/33/80/801223380.db2.gz WMKZXWFOHORELH-OKILXGFUSA-N 2 1 283.416 0.672 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001156721414 801223384 /nfs/dbraw/zinc/22/33/84/801223384.db2.gz WMKZXWFOHORELH-OKILXGFUSA-N 2 1 283.416 0.672 20 30 CCEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942418 801268212 /nfs/dbraw/zinc/26/82/12/801268212.db2.gz QCBDQPOGYJPQLY-GFCCVEGCSA-N 2 1 262.357 0.651 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942418 801268218 /nfs/dbraw/zinc/26/82/18/801268218.db2.gz QCBDQPOGYJPQLY-GFCCVEGCSA-N 2 1 262.357 0.651 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158036293 801557583 /nfs/dbraw/zinc/55/75/83/801557583.db2.gz BOEXDFIBAIIDLU-CABCVRRESA-N 2 1 277.412 0.980 20 30 CCEDMP Cc1nc(C#N)cc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160519992 801960459 /nfs/dbraw/zinc/96/04/59/801960459.db2.gz OQVWPODGZRSPBQ-AWEZNQCLSA-N 2 1 272.356 0.492 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161052202 802078361 /nfs/dbraw/zinc/07/83/61/802078361.db2.gz JEQWJWMPSQBMAV-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP C=CC[N@@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161698961 802200874 /nfs/dbraw/zinc/20/08/74/802200874.db2.gz HPWUKGSKITUPPW-UHFFFAOYSA-N 2 1 295.427 0.889 20 30 CCEDMP C#CC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161869618 802235696 /nfs/dbraw/zinc/23/56/96/802235696.db2.gz HIZYRVGIFSQGDM-UHFFFAOYSA-N 2 1 286.379 0.963 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161869618 802235701 /nfs/dbraw/zinc/23/57/01/802235701.db2.gz HIZYRVGIFSQGDM-UHFFFAOYSA-N 2 1 286.379 0.963 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162606842 802376899 /nfs/dbraw/zinc/37/68/99/802376899.db2.gz YJHDATKYZVODNU-UHFFFAOYSA-N 2 1 280.372 0.490 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001264724781 809674491 /nfs/dbraw/zinc/67/44/91/809674491.db2.gz HXLXDWCRFSRXTK-HIFRSBDPSA-N 2 1 293.411 0.309 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164574707 802768336 /nfs/dbraw/zinc/76/83/36/802768336.db2.gz XGRASNQJNGMOMO-GJZGRUSLSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267744142 811728254 /nfs/dbraw/zinc/72/82/54/811728254.db2.gz FWAVBRHNHSZPHX-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166694067 802940750 /nfs/dbraw/zinc/94/07/50/802940750.db2.gz VCXZQDODDXYWTO-OLZOCXBDSA-N 2 1 253.390 0.856 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166678189 802937133 /nfs/dbraw/zinc/93/71/33/802937133.db2.gz UVUHVEZYQUOCLP-CYBMUJFWSA-N 2 1 251.374 0.447 20 30 CCEDMP Cn1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1C#N ZINC001205672327 803153818 /nfs/dbraw/zinc/15/38/18/803153818.db2.gz IVZZKYHNDDZZJR-CQSZACIVSA-N 2 1 262.357 0.572 20 30 CCEDMP Cn1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1C#N ZINC001205672327 803153822 /nfs/dbraw/zinc/15/38/22/803153822.db2.gz IVZZKYHNDDZZJR-CQSZACIVSA-N 2 1 262.357 0.572 20 30 CCEDMP CCc1cc(C#N)ccc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206491864 803254014 /nfs/dbraw/zinc/25/40/14/803254014.db2.gz NVHGVUUAXXQRSK-LSDHHAIUSA-N 2 1 259.353 0.872 20 30 CCEDMP CCc1cc(C#N)ccc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206491864 803254017 /nfs/dbraw/zinc/25/40/17/803254017.db2.gz NVHGVUUAXXQRSK-LSDHHAIUSA-N 2 1 259.353 0.872 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070157 803486069 /nfs/dbraw/zinc/48/60/69/803486069.db2.gz FIGRFHXVEHIYOD-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515380 803609043 /nfs/dbraw/zinc/60/90/43/803609043.db2.gz WHBRMNOBAYTOHI-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515380 803609046 /nfs/dbraw/zinc/60/90/46/803609046.db2.gz WHBRMNOBAYTOHI-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210494865 803652060 /nfs/dbraw/zinc/65/20/60/803652060.db2.gz YIHPETRGZRBJGA-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000402140050 803813214 /nfs/dbraw/zinc/81/32/14/803813214.db2.gz IQGIIZTUWFTPGT-LSDHHAIUSA-N 2 1 275.352 0.641 20 30 CCEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000402140050 803813224 /nfs/dbraw/zinc/81/32/24/803813224.db2.gz IQGIIZTUWFTPGT-LSDHHAIUSA-N 2 1 275.352 0.641 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754147 803855446 /nfs/dbraw/zinc/85/54/46/803855446.db2.gz JFKSSTXQRNYQKT-QLFBSQMISA-N 2 1 293.411 0.024 20 30 CCEDMP C[N@H+]1[C@@H]2C[C@@H](OC[C@@H]3C[C@@H]4CC[NH2+]C[C@@H]4O3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001217879232 803922297 /nfs/dbraw/zinc/92/22/97/803922297.db2.gz OZYRZLOVUHKTDN-JTCZDQAASA-N 2 1 294.395 0.382 20 30 CCEDMP C[N@@H+]1[C@@H]2C[C@@H](OC[C@@H]3C[C@@H]4CC[NH2+]C[C@@H]4O3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001217879232 803922298 /nfs/dbraw/zinc/92/22/98/803922298.db2.gz OZYRZLOVUHKTDN-JTCZDQAASA-N 2 1 294.395 0.382 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001030019175 815002722 /nfs/dbraw/zinc/00/27/22/815002722.db2.gz AKFWKBODLUZTOS-ILXRZTDVSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001030019175 815002728 /nfs/dbraw/zinc/00/27/28/815002728.db2.gz AKFWKBODLUZTOS-ILXRZTDVSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345200 804580153 /nfs/dbraw/zinc/58/01/53/804580153.db2.gz REWKTVQXLUNMFU-ILXRZTDVSA-N 2 1 295.427 0.291 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC001220868352 804685826 /nfs/dbraw/zinc/68/58/26/804685826.db2.gz GXILPUYQTFOCDE-JSGCOSHPSA-N 2 1 251.374 0.753 20 30 CCEDMP C#CCC[NH+]1CCC(CNC(=O)Cc2cnc[nH]2)CC1 ZINC001224673190 805068515 /nfs/dbraw/zinc/06/85/15/805068515.db2.gz TZSQGLRFVRDKAA-UHFFFAOYSA-N 2 1 274.368 0.804 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246017565 807117897 /nfs/dbraw/zinc/11/78/97/807117897.db2.gz BNYDWFIMIIXFGE-GHMZBOCLSA-N 2 1 264.316 0.466 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246017565 807117900 /nfs/dbraw/zinc/11/79/00/807117900.db2.gz BNYDWFIMIIXFGE-GHMZBOCLSA-N 2 1 264.316 0.466 20 30 CCEDMP N#Cc1cccc(-c2noc([C@@H]([NH3+])CCCNC(N)=[NH2+])n2)c1 ZINC001248639270 807519521 /nfs/dbraw/zinc/51/95/21/807519521.db2.gz SZFJQDIKMBCIKG-NSHDSACASA-N 2 1 299.338 0.871 20 30 CCEDMP C#CCOC[C@@H](O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001251847182 807716953 /nfs/dbraw/zinc/71/69/53/807716953.db2.gz AKYAILHZQYLWHO-AWEZNQCLSA-N 2 1 254.374 0.271 20 30 CCEDMP C#CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001251906590 807743869 /nfs/dbraw/zinc/74/38/69/807743869.db2.gz HUDMWTMUGMGZIP-RBSFLKMASA-N 2 1 268.401 0.706 20 30 CCEDMP C=C[C@@](C)(O)C[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001252548206 807906184 /nfs/dbraw/zinc/90/61/84/807906184.db2.gz BGBKKRQKFQADOE-CQSZACIVSA-N 2 1 256.390 0.966 20 30 CCEDMP C=C[C@@](C)(O)C[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001252548206 807906188 /nfs/dbraw/zinc/90/61/88/807906188.db2.gz BGBKKRQKFQADOE-CQSZACIVSA-N 2 1 256.390 0.966 20 30 CCEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278805173 808275653 /nfs/dbraw/zinc/27/56/53/808275653.db2.gz JRVBZNHAOLQWAU-ZBFHGGJFSA-N 2 1 295.427 0.149 20 30 CCEDMP C=CCC[NH+]1CC[C@](O)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001278815914 808280909 /nfs/dbraw/zinc/28/09/09/808280909.db2.gz LFSZKTVNDUKKCA-HNNXBMFYSA-N 2 1 283.416 0.457 20 30 CCEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001278815914 808280913 /nfs/dbraw/zinc/28/09/13/808280913.db2.gz LFSZKTVNDUKKCA-HNNXBMFYSA-N 2 1 283.416 0.457 20 30 CCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001278815914 808280918 /nfs/dbraw/zinc/28/09/18/808280918.db2.gz LFSZKTVNDUKKCA-HNNXBMFYSA-N 2 1 283.416 0.457 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001278833908 808307378 /nfs/dbraw/zinc/30/73/78/808307378.db2.gz YLNZIPIXPNTXSB-ZIAGYGMSSA-N 2 1 283.416 0.313 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC001263098022 809442050 /nfs/dbraw/zinc/44/20/50/809442050.db2.gz PRVHWLZHELGLSL-LBPRGKRZSA-N 2 1 250.346 0.991 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263808758 809573366 /nfs/dbraw/zinc/57/33/66/809573366.db2.gz CUHCFGGMRXEOQF-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263808758 809573367 /nfs/dbraw/zinc/57/33/67/809573367.db2.gz CUHCFGGMRXEOQF-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076462053 815301303 /nfs/dbraw/zinc/30/13/03/815301303.db2.gz GIQBUKFYKMJYMJ-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076462053 815301310 /nfs/dbraw/zinc/30/13/10/815301310.db2.gz GIQBUKFYKMJYMJ-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001264157784 809635006 /nfs/dbraw/zinc/63/50/06/809635006.db2.gz SIDCDQRAUWNSED-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[NH+]1CCN(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001265266643 809735695 /nfs/dbraw/zinc/73/56/95/809735695.db2.gz VYLLZSYDSCSPHP-UHFFFAOYSA-N 2 1 294.443 0.084 20 30 CCEDMP C#CC[NH2+][C@@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001265841817 809873133 /nfs/dbraw/zinc/87/31/33/809873133.db2.gz WMHUXIXVLUHNRK-LBPRGKRZSA-N 2 1 262.357 0.699 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266039955 809924623 /nfs/dbraw/zinc/92/46/23/809924623.db2.gz FLRHJGPJLWYJST-CQSZACIVSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001266179285 809955748 /nfs/dbraw/zinc/95/57/48/809955748.db2.gz XUZLDZNZTRQGOZ-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001267283007 811093402 /nfs/dbraw/zinc/09/34/02/811093402.db2.gz ZMECUHWMCRIBIU-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267307205 811128476 /nfs/dbraw/zinc/12/84/76/811128476.db2.gz NSIXJKHNBIMZNC-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267456405 811318592 /nfs/dbraw/zinc/31/85/92/811318592.db2.gz WJTCKMAWVXDCFN-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077395852 815492314 /nfs/dbraw/zinc/49/23/14/815492314.db2.gz DVHCRKKWSWFGKW-ZIAGYGMSSA-N 2 1 286.335 0.295 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077395852 815492315 /nfs/dbraw/zinc/49/23/15/815492315.db2.gz DVHCRKKWSWFGKW-ZIAGYGMSSA-N 2 1 286.335 0.295 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)C[N@H+](C)CCC)C(C)C ZINC001268221099 812374409 /nfs/dbraw/zinc/37/44/09/812374409.db2.gz FINYDRAAJCEWAV-CYBMUJFWSA-N 2 1 253.390 0.692 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCF)CC1 ZINC001028333355 812623797 /nfs/dbraw/zinc/62/37/97/812623797.db2.gz IGJLYNXUHPUDGT-HNNXBMFYSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCF)CC1 ZINC001028333355 812623799 /nfs/dbraw/zinc/62/37/99/812623799.db2.gz IGJLYNXUHPUDGT-HNNXBMFYSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CCC[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1C ZINC001268625010 812952476 /nfs/dbraw/zinc/95/24/76/812952476.db2.gz JVVKNBOTEHBTFK-WAYWQWQTSA-N 2 1 260.341 0.477 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028629638 813008850 /nfs/dbraw/zinc/00/88/50/813008850.db2.gz PEQYGLHDUNTKEB-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629638 813008858 /nfs/dbraw/zinc/00/88/58/813008858.db2.gz PEQYGLHDUNTKEB-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629638 813008867 /nfs/dbraw/zinc/00/88/67/813008867.db2.gz PEQYGLHDUNTKEB-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629638 813008872 /nfs/dbraw/zinc/00/88/72/813008872.db2.gz PEQYGLHDUNTKEB-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629638 813008880 /nfs/dbraw/zinc/00/88/80/813008880.db2.gz PEQYGLHDUNTKEB-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC#CC ZINC001268733747 813049737 /nfs/dbraw/zinc/04/97/37/813049737.db2.gz KEEBOXHZNNTXJV-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC#CC ZINC001268733747 813049747 /nfs/dbraw/zinc/04/97/47/813049747.db2.gz KEEBOXHZNNTXJV-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC#CC ZINC001268733747 813049756 /nfs/dbraw/zinc/04/97/56/813049756.db2.gz KEEBOXHZNNTXJV-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC#CC ZINC001268733747 813049774 /nfs/dbraw/zinc/04/97/74/813049774.db2.gz KEEBOXHZNNTXJV-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001268747613 813060555 /nfs/dbraw/zinc/06/05/55/813060555.db2.gz STOFZNMCKIGRCW-OLZOCXBDSA-N 2 1 253.390 0.786 20 30 CCEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001268752430 813063531 /nfs/dbraw/zinc/06/35/31/813063531.db2.gz NNBYHXFPMPJRFS-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268752430 813063538 /nfs/dbraw/zinc/06/35/38/813063538.db2.gz NNBYHXFPMPJRFS-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268752430 813063546 /nfs/dbraw/zinc/06/35/46/813063546.db2.gz NNBYHXFPMPJRFS-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001268910815 813141005 /nfs/dbraw/zinc/14/10/05/813141005.db2.gz DWGIJXMTEBQWOG-UHFFFAOYSA-N 2 1 253.390 0.951 20 30 CCEDMP C#CC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268914793 813145168 /nfs/dbraw/zinc/14/51/68/813145168.db2.gz FPCHPOXWYNBDMR-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796532 814216050 /nfs/dbraw/zinc/21/60/50/814216050.db2.gz DOWXIVCTFDTURZ-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087796532 814216058 /nfs/dbraw/zinc/21/60/58/814216058.db2.gz DOWXIVCTFDTURZ-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087796532 814216066 /nfs/dbraw/zinc/21/60/66/814216066.db2.gz DOWXIVCTFDTURZ-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001271929863 814632801 /nfs/dbraw/zinc/63/28/01/814632801.db2.gz FADRJHLYUNXHLX-QWHCGFSZSA-N 2 1 253.390 0.855 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105979635 816035076 /nfs/dbraw/zinc/03/50/76/816035076.db2.gz XDRWDIJJSCBEBZ-MGPQQGTHSA-N 2 1 281.400 0.187 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105979635 816035082 /nfs/dbraw/zinc/03/50/82/816035082.db2.gz XDRWDIJJSCBEBZ-MGPQQGTHSA-N 2 1 281.400 0.187 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257369 816493677 /nfs/dbraw/zinc/49/36/77/816493677.db2.gz XYAIJVWRINVUGO-OLZOCXBDSA-N 2 1 251.374 0.753 20 30 CCEDMP C=CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001083719003 816634389 /nfs/dbraw/zinc/63/43/89/816634389.db2.gz KQTCCIONJHXAQU-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1 ZINC001083719003 816634395 /nfs/dbraw/zinc/63/43/95/816634395.db2.gz KQTCCIONJHXAQU-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001083719003 816634400 /nfs/dbraw/zinc/63/44/00/816634400.db2.gz KQTCCIONJHXAQU-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719003 816634406 /nfs/dbraw/zinc/63/44/06/816634406.db2.gz KQTCCIONJHXAQU-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719003 816634410 /nfs/dbraw/zinc/63/44/10/816634410.db2.gz KQTCCIONJHXAQU-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083728211 816734362 /nfs/dbraw/zinc/73/43/62/816734362.db2.gz KJUGXTCTLYYAGO-XQLPTFJDSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083728211 816734366 /nfs/dbraw/zinc/73/43/66/816734366.db2.gz KJUGXTCTLYYAGO-XQLPTFJDSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083728211 816734373 /nfs/dbraw/zinc/73/43/73/816734373.db2.gz KJUGXTCTLYYAGO-XQLPTFJDSA-N 2 1 295.427 0.454 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@H](C)F)C1 ZINC001031741328 817304579 /nfs/dbraw/zinc/30/45/79/817304579.db2.gz WJZUBBLEHXEMOE-ZFWWWQNUSA-N 2 1 295.402 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@H](C)F)C1 ZINC001031741328 817304585 /nfs/dbraw/zinc/30/45/85/817304585.db2.gz WJZUBBLEHXEMOE-ZFWWWQNUSA-N 2 1 295.402 0.880 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785813 817866822 /nfs/dbraw/zinc/86/68/22/817866822.db2.gz QSGMUBYDYXRJCB-UONOGXRCSA-N 2 1 281.400 0.522 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032945622 818381901 /nfs/dbraw/zinc/38/19/01/818381901.db2.gz PVSFUHAOQGKXOC-OLZOCXBDSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032945622 818381906 /nfs/dbraw/zinc/38/19/06/818381906.db2.gz PVSFUHAOQGKXOC-OLZOCXBDSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032945622 818381911 /nfs/dbraw/zinc/38/19/11/818381911.db2.gz PVSFUHAOQGKXOC-OLZOCXBDSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357602 818738532 /nfs/dbraw/zinc/73/85/32/818738532.db2.gz INZNSZYOGOKBPJ-LSDHHAIUSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357602 818738534 /nfs/dbraw/zinc/73/85/34/818738534.db2.gz INZNSZYOGOKBPJ-LSDHHAIUSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357602 818738538 /nfs/dbraw/zinc/73/85/38/818738538.db2.gz INZNSZYOGOKBPJ-LSDHHAIUSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357602 818738541 /nfs/dbraw/zinc/73/85/41/818738541.db2.gz INZNSZYOGOKBPJ-LSDHHAIUSA-N 2 1 295.427 0.814 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033361132 818741396 /nfs/dbraw/zinc/74/13/96/818741396.db2.gz LZDCAFSZVSJNPR-KKUMJFAQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033361132 818741406 /nfs/dbraw/zinc/74/14/06/818741406.db2.gz LZDCAFSZVSJNPR-KKUMJFAQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033361132 818741415 /nfs/dbraw/zinc/74/14/15/818741415.db2.gz LZDCAFSZVSJNPR-KKUMJFAQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033415776 818764093 /nfs/dbraw/zinc/76/40/93/818764093.db2.gz KRHLXDMFAQNAOA-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001033415776 818764097 /nfs/dbraw/zinc/76/40/97/818764097.db2.gz KRHLXDMFAQNAOA-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033415776 818764103 /nfs/dbraw/zinc/76/41/03/818764103.db2.gz KRHLXDMFAQNAOA-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033415776 818764107 /nfs/dbraw/zinc/76/41/07/818764107.db2.gz KRHLXDMFAQNAOA-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592035 818840487 /nfs/dbraw/zinc/84/04/87/818840487.db2.gz FBXJQGSEVWXMCD-CYBMUJFWSA-N 2 1 263.385 0.801 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034039102 819037391 /nfs/dbraw/zinc/03/73/91/819037391.db2.gz FYJPUAWFIVHKHE-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034039102 819037396 /nfs/dbraw/zinc/03/73/96/819037396.db2.gz FYJPUAWFIVHKHE-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034042810 819041763 /nfs/dbraw/zinc/04/17/63/819041763.db2.gz PYZXLPPLCQNPEQ-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034042810 819041769 /nfs/dbraw/zinc/04/17/69/819041769.db2.gz PYZXLPPLCQNPEQ-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034042810 819041775 /nfs/dbraw/zinc/04/17/75/819041775.db2.gz PYZXLPPLCQNPEQ-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001034614434 819260921 /nfs/dbraw/zinc/26/09/21/819260921.db2.gz PTOOQUORLMLVTG-MGPQQGTHSA-N 2 1 281.400 0.520 20 30 CCEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001034614434 819260925 /nfs/dbraw/zinc/26/09/25/819260925.db2.gz PTOOQUORLMLVTG-MGPQQGTHSA-N 2 1 281.400 0.520 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691689 820819079 /nfs/dbraw/zinc/81/90/79/820819079.db2.gz KWMXHVKNRHQCLV-AAVRWANBSA-N 2 1 281.400 0.328 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691689 820819086 /nfs/dbraw/zinc/81/90/86/820819086.db2.gz KWMXHVKNRHQCLV-AAVRWANBSA-N 2 1 281.400 0.328 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691689 820819104 /nfs/dbraw/zinc/81/91/04/820819104.db2.gz KWMXHVKNRHQCLV-AAVRWANBSA-N 2 1 281.400 0.328 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691689 820819117 /nfs/dbraw/zinc/81/91/17/820819117.db2.gz KWMXHVKNRHQCLV-AAVRWANBSA-N 2 1 281.400 0.328 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132815 820904336 /nfs/dbraw/zinc/90/43/36/820904336.db2.gz SLYPSERGRYRBAO-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082742172 821030278 /nfs/dbraw/zinc/03/02/78/821030278.db2.gz UGZIPUDQRVZLLH-BFHYXJOUSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083119793 821137970 /nfs/dbraw/zinc/13/79/70/821137970.db2.gz KXDKAUIFQMKQQF-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083119793 821137974 /nfs/dbraw/zinc/13/79/74/821137974.db2.gz KXDKAUIFQMKQQF-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084252333 821242569 /nfs/dbraw/zinc/24/25/69/821242569.db2.gz URSJQYGVLYCFRQ-KFWWJZLASA-N 2 1 293.411 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084252333 821242577 /nfs/dbraw/zinc/24/25/77/821242577.db2.gz URSJQYGVLYCFRQ-KFWWJZLASA-N 2 1 293.411 0.426 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084252333 821242586 /nfs/dbraw/zinc/24/25/86/821242586.db2.gz URSJQYGVLYCFRQ-KFWWJZLASA-N 2 1 293.411 0.426 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084252333 821242593 /nfs/dbraw/zinc/24/25/93/821242593.db2.gz URSJQYGVLYCFRQ-KFWWJZLASA-N 2 1 293.411 0.426 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973707 821678304 /nfs/dbraw/zinc/67/83/04/821678304.db2.gz HPLJGRMXSLMXMH-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001273358429 821924199 /nfs/dbraw/zinc/92/41/99/821924199.db2.gz FEOAFPRSVFGERN-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086106935 822116033 /nfs/dbraw/zinc/11/60/33/822116033.db2.gz DLYXHVTXGWSBDL-MJBXVCDLSA-N 2 1 286.379 0.878 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100042072 822148156 /nfs/dbraw/zinc/14/81/56/822148156.db2.gz SPPNBSBIGHIOLZ-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001086381625 822231551 /nfs/dbraw/zinc/23/15/51/822231551.db2.gz BZXUHKSABRGFCH-RBSFLKMASA-N 2 1 277.412 0.978 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001086477987 822274302 /nfs/dbraw/zinc/27/43/02/822274302.db2.gz FFYOHCQBFZJLSL-AAVRWANBSA-N 2 1 265.401 0.855 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129423822 837503821 /nfs/dbraw/zinc/50/38/21/837503821.db2.gz XLOFPBUEMOWKMX-AWEZNQCLSA-N 2 1 263.385 0.732 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183647752 844055336 /nfs/dbraw/zinc/05/53/36/844055336.db2.gz KDLOOZMOCGWSNS-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467377 837130236 /nfs/dbraw/zinc/13/02/36/837130236.db2.gz AOAIPBNUACZOOK-UHFFFAOYSA-N 2 1 295.427 0.247 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170223948 837270252 /nfs/dbraw/zinc/27/02/52/837270252.db2.gz ZKWPZLJTVXWHPI-CYBMUJFWSA-N 2 1 298.431 0.115 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426041 838392710 /nfs/dbraw/zinc/39/27/10/838392710.db2.gz RDMYUQPIADBPMN-KGLIPLIRSA-N 2 1 281.400 0.167 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135325582 839206211 /nfs/dbraw/zinc/20/62/11/839206211.db2.gz AYZQUTQOPQJOHQ-UHFFFAOYSA-N 2 1 283.416 0.771 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185659279 844442649 /nfs/dbraw/zinc/44/26/49/844442649.db2.gz FXTXEFZWMGPKKX-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090809504 839827362 /nfs/dbraw/zinc/82/73/62/839827362.db2.gz UIOJRWZKYZQPKS-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090809504 839827365 /nfs/dbraw/zinc/82/73/65/839827365.db2.gz UIOJRWZKYZQPKS-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808316 839827493 /nfs/dbraw/zinc/82/74/93/839827493.db2.gz JARAUKKMELDILS-KBPBESRZSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808316 839827497 /nfs/dbraw/zinc/82/74/97/839827497.db2.gz JARAUKKMELDILS-KBPBESRZSA-N 2 1 292.383 0.319 20 30 CCEDMP N#CCc1cncc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160513874 839970334 /nfs/dbraw/zinc/97/03/34/839970334.db2.gz RXVQCJAATOLQDR-CQSZACIVSA-N 2 1 272.356 0.378 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148842656 840894811 /nfs/dbraw/zinc/89/48/11/840894811.db2.gz BCDCKXAYEGVTIZ-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001148842656 840894817 /nfs/dbraw/zinc/89/48/17/840894817.db2.gz BCDCKXAYEGVTIZ-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148842656 840894826 /nfs/dbraw/zinc/89/48/26/840894826.db2.gz BCDCKXAYEGVTIZ-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176058575 842321331 /nfs/dbraw/zinc/32/13/31/842321331.db2.gz YGIOYKSTSAZAOH-ZDUSSCGKSA-N 2 1 269.389 0.237 20 30 CCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180899768 843335373 /nfs/dbraw/zinc/33/53/73/843335373.db2.gz PLEHOMOBDDUOPQ-IJEWVQPXSA-N 2 1 277.412 0.788 20 30 CCEDMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC#CCOC)C1 ZINC001193289881 846046769 /nfs/dbraw/zinc/04/67/69/846046769.db2.gz BEKYIYKBBNOGGZ-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC#CCOC)C1 ZINC001193289881 846046764 /nfs/dbraw/zinc/04/67/64/846046764.db2.gz BEKYIYKBBNOGGZ-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC#CCOC)C1 ZINC001193289881 846046775 /nfs/dbraw/zinc/04/67/75/846046775.db2.gz BEKYIYKBBNOGGZ-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193460370 846080959 /nfs/dbraw/zinc/08/09/59/846080959.db2.gz BHIXZFPVBUMEMJ-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193460370 846080962 /nfs/dbraw/zinc/08/09/62/846080962.db2.gz BHIXZFPVBUMEMJ-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193460370 846080969 /nfs/dbraw/zinc/08/09/69/846080969.db2.gz BHIXZFPVBUMEMJ-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196130957 846689093 /nfs/dbraw/zinc/68/90/93/846689093.db2.gz NBDWPLJYDVJXLG-RBSFLKMASA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048453 846832265 /nfs/dbraw/zinc/83/22/65/846832265.db2.gz BKBKBPOFZVKAMX-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048453 846832268 /nfs/dbraw/zinc/83/22/68/846832268.db2.gz BKBKBPOFZVKAMX-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001197024226 846834138 /nfs/dbraw/zinc/83/41/38/846834138.db2.gz BDXIENXKIWGQGH-KFWWJZLASA-N 2 1 297.443 0.700 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001197024226 846834141 /nfs/dbraw/zinc/83/41/41/846834141.db2.gz BDXIENXKIWGQGH-KFWWJZLASA-N 2 1 297.443 0.700 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819923 846987203 /nfs/dbraw/zinc/98/72/03/846987203.db2.gz QOGUSXSZLALMTD-ZIAGYGMSSA-N 2 1 293.411 0.210 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197947956 847005748 /nfs/dbraw/zinc/00/57/48/847005748.db2.gz ASAVLCHJPIKIOQ-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199097072 847222766 /nfs/dbraw/zinc/22/27/66/847222766.db2.gz VKZMKPAFOFRZQT-CHWSQXEVSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199097072 847222775 /nfs/dbraw/zinc/22/27/75/847222775.db2.gz VKZMKPAFOFRZQT-CHWSQXEVSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199097072 847222786 /nfs/dbraw/zinc/22/27/86/847222786.db2.gz VKZMKPAFOFRZQT-CHWSQXEVSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001273895021 847784211 /nfs/dbraw/zinc/78/42/11/847784211.db2.gz ZUOJJJDHCZRPEF-GOEBONIOSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201809439 847814679 /nfs/dbraw/zinc/81/46/79/847814679.db2.gz NUXXJRCZRNZNCX-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201924057 847838461 /nfs/dbraw/zinc/83/84/61/847838461.db2.gz BDBPDULRBXCGRG-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110662651 847951486 /nfs/dbraw/zinc/95/14/86/847951486.db2.gz PMRQTFMTZHUYSU-APIJFGDWSA-N 2 1 275.396 0.681 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110662651 847951489 /nfs/dbraw/zinc/95/14/89/847951489.db2.gz PMRQTFMTZHUYSU-APIJFGDWSA-N 2 1 275.396 0.681 20 30 CCEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC#CCOC ZINC001275976943 848878917 /nfs/dbraw/zinc/87/89/17/848878917.db2.gz KIUKRJRUEWZQPA-CQSZACIVSA-N 2 1 283.416 0.415 20 30 CCEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)CC#CCOC ZINC001275976943 848878921 /nfs/dbraw/zinc/87/89/21/848878921.db2.gz KIUKRJRUEWZQPA-CQSZACIVSA-N 2 1 283.416 0.415 20 30 CCEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC#CCOC ZINC001275976943 848878924 /nfs/dbraw/zinc/87/89/24/848878924.db2.gz KIUKRJRUEWZQPA-CQSZACIVSA-N 2 1 283.416 0.415 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038264006 849834644 /nfs/dbraw/zinc/83/46/44/849834644.db2.gz UFGJHBIIJYPZHL-GJZGRUSLSA-N 2 1 275.396 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038264006 849834650 /nfs/dbraw/zinc/83/46/50/849834650.db2.gz UFGJHBIIJYPZHL-GJZGRUSLSA-N 2 1 275.396 0.542 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039026429 850128268 /nfs/dbraw/zinc/12/82/68/850128268.db2.gz GCIQIYPSDCXNMW-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039026429 850128272 /nfs/dbraw/zinc/12/82/72/850128272.db2.gz GCIQIYPSDCXNMW-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039026429 850128276 /nfs/dbraw/zinc/12/82/76/850128276.db2.gz GCIQIYPSDCXNMW-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039039069 850134368 /nfs/dbraw/zinc/13/43/68/850134368.db2.gz KNOUFEJNPBQATR-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039039069 850134370 /nfs/dbraw/zinc/13/43/70/850134370.db2.gz KNOUFEJNPBQATR-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039039069 850134373 /nfs/dbraw/zinc/13/43/73/850134373.db2.gz KNOUFEJNPBQATR-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039039069 850134376 /nfs/dbraw/zinc/13/43/76/850134376.db2.gz KNOUFEJNPBQATR-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040937237 850329829 /nfs/dbraw/zinc/32/98/29/850329829.db2.gz VOXJVNPMLZVPNW-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041474360 850453178 /nfs/dbraw/zinc/45/31/78/850453178.db2.gz ASJKNHPACBBPOE-MRXNPFEDSA-N 2 1 286.379 0.749 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041474360 850453184 /nfs/dbraw/zinc/45/31/84/850453184.db2.gz ASJKNHPACBBPOE-MRXNPFEDSA-N 2 1 286.379 0.749 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001043879184 850954957 /nfs/dbraw/zinc/95/49/57/850954957.db2.gz DNSVYHFEJLKOPI-JSGCOSHPSA-N 2 1 265.401 0.903 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043879184 850954963 /nfs/dbraw/zinc/95/49/63/850954963.db2.gz DNSVYHFEJLKOPI-JSGCOSHPSA-N 2 1 265.401 0.903 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC=C)C[C@@H]2C1 ZINC001048869571 852089399 /nfs/dbraw/zinc/08/93/99/852089399.db2.gz YSOUVKVYCRRREV-XHSDSOJGSA-N 2 1 287.407 0.660 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC=C)C[C@@H]2C1 ZINC001048869571 852089406 /nfs/dbraw/zinc/08/94/06/852089406.db2.gz YSOUVKVYCRRREV-XHSDSOJGSA-N 2 1 287.407 0.660 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC=C)C[C@@H]2C1 ZINC001048869571 852089410 /nfs/dbraw/zinc/08/94/10/852089410.db2.gz YSOUVKVYCRRREV-XHSDSOJGSA-N 2 1 287.407 0.660 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC=C)C[C@@H]2C1 ZINC001048869571 852089417 /nfs/dbraw/zinc/08/94/17/852089417.db2.gz YSOUVKVYCRRREV-XHSDSOJGSA-N 2 1 287.407 0.660 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C(C)C)C[C@@H]2C1 ZINC001048870093 852091253 /nfs/dbraw/zinc/09/12/53/852091253.db2.gz OXEVSRMUGCERIE-XHSDSOJGSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C1 ZINC001048870093 852091264 /nfs/dbraw/zinc/09/12/64/852091264.db2.gz OXEVSRMUGCERIE-XHSDSOJGSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C(C)C)C[C@@H]2C1 ZINC001048870093 852091272 /nfs/dbraw/zinc/09/12/72/852091272.db2.gz OXEVSRMUGCERIE-XHSDSOJGSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C(C)C)C[C@@H]2C1 ZINC001048870093 852091281 /nfs/dbraw/zinc/09/12/81/852091281.db2.gz OXEVSRMUGCERIE-XHSDSOJGSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059705 852152551 /nfs/dbraw/zinc/15/25/51/852152551.db2.gz DRQXALVHAWPUGY-APIJFGDWSA-N 2 1 275.396 0.208 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059705 852152558 /nfs/dbraw/zinc/15/25/58/852152558.db2.gz DRQXALVHAWPUGY-APIJFGDWSA-N 2 1 275.396 0.208 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059705 852152564 /nfs/dbraw/zinc/15/25/64/852152564.db2.gz DRQXALVHAWPUGY-APIJFGDWSA-N 2 1 275.396 0.208 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cncc3C1)C2 ZINC001097361908 852531874 /nfs/dbraw/zinc/53/18/74/852531874.db2.gz HMOXRYKIGGYECI-XNISGKROSA-N 2 1 298.390 0.800 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938470 852673747 /nfs/dbraw/zinc/67/37/47/852673747.db2.gz YMVWNUUERZARRB-CQSZACIVSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001050204408 853335924 /nfs/dbraw/zinc/33/59/24/853335924.db2.gz XZZCVBJIKQPVRN-LSDHHAIUSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001052460386 853753538 /nfs/dbraw/zinc/75/35/38/853753538.db2.gz XEPRAMCLTCGHNY-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001052460386 853753544 /nfs/dbraw/zinc/75/35/44/853753544.db2.gz XEPRAMCLTCGHNY-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCO)CC1 ZINC001052460386 853753547 /nfs/dbraw/zinc/75/35/47/853753547.db2.gz XEPRAMCLTCGHNY-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCO)CC1 ZINC001052460386 853753552 /nfs/dbraw/zinc/75/35/52/853753552.db2.gz XEPRAMCLTCGHNY-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001072981460 854507383 /nfs/dbraw/zinc/50/73/83/854507383.db2.gz IDNRQQRARVXEIA-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001072981460 854507387 /nfs/dbraw/zinc/50/73/87/854507387.db2.gz IDNRQQRARVXEIA-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001072981460 854507390 /nfs/dbraw/zinc/50/73/90/854507390.db2.gz IDNRQQRARVXEIA-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223285 854852359 /nfs/dbraw/zinc/85/23/59/854852359.db2.gz DMDFRVUXFRSCLM-MCIONIFRSA-N 2 1 275.396 0.990 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001099159901 854918879 /nfs/dbraw/zinc/91/88/79/854918879.db2.gz LQCUHDIEPZKYPY-ZOBUZTSGSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001099159901 854918884 /nfs/dbraw/zinc/91/88/84/854918884.db2.gz LQCUHDIEPZKYPY-ZOBUZTSGSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001099159901 854918893 /nfs/dbraw/zinc/91/88/93/854918893.db2.gz LQCUHDIEPZKYPY-ZOBUZTSGSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100065216 855089641 /nfs/dbraw/zinc/08/96/41/855089641.db2.gz ZJPRBDPXMJEYRR-STQMWFEESA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100065216 855089646 /nfs/dbraw/zinc/08/96/46/855089646.db2.gz ZJPRBDPXMJEYRR-STQMWFEESA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100065216 855089651 /nfs/dbraw/zinc/08/96/51/855089651.db2.gz ZJPRBDPXMJEYRR-STQMWFEESA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100131997 855103873 /nfs/dbraw/zinc/10/38/73/855103873.db2.gz LWDUKDYPDPIWKJ-QWHCGFSZSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131997 855103877 /nfs/dbraw/zinc/10/38/77/855103877.db2.gz LWDUKDYPDPIWKJ-QWHCGFSZSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131997 855103878 /nfs/dbraw/zinc/10/38/78/855103878.db2.gz LWDUKDYPDPIWKJ-QWHCGFSZSA-N 2 1 269.389 0.064 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477325 855291321 /nfs/dbraw/zinc/29/13/21/855291321.db2.gz OIBRUSDYIKTRKQ-ZBFHGGJFSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477325 855291324 /nfs/dbraw/zinc/29/13/24/855291324.db2.gz OIBRUSDYIKTRKQ-ZBFHGGJFSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477325 855291326 /nfs/dbraw/zinc/29/13/26/855291326.db2.gz OIBRUSDYIKTRKQ-ZBFHGGJFSA-N 2 1 277.412 0.740 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579361 855447114 /nfs/dbraw/zinc/44/71/14/855447114.db2.gz UFKVLZOXOUMSGN-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580836 855447973 /nfs/dbraw/zinc/44/79/73/855447973.db2.gz NLQHRRWBAFCQEX-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580836 855447976 /nfs/dbraw/zinc/44/79/76/855447976.db2.gz NLQHRRWBAFCQEX-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818896 855471735 /nfs/dbraw/zinc/47/17/35/855471735.db2.gz LPKYBIAOUTYEFJ-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818896 855471738 /nfs/dbraw/zinc/47/17/38/855471738.db2.gz LPKYBIAOUTYEFJ-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818896 855471741 /nfs/dbraw/zinc/47/17/41/855471741.db2.gz LPKYBIAOUTYEFJ-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818896 855471743 /nfs/dbraw/zinc/47/17/43/855471743.db2.gz LPKYBIAOUTYEFJ-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001480905559 891732876 /nfs/dbraw/zinc/73/28/76/891732876.db2.gz YJTMUQUJRUIBPZ-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001480905559 891732881 /nfs/dbraw/zinc/73/28/81/891732881.db2.gz YJTMUQUJRUIBPZ-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001480905559 891732890 /nfs/dbraw/zinc/73/28/90/891732890.db2.gz YJTMUQUJRUIBPZ-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001325864035 913613943 /nfs/dbraw/zinc/61/39/43/913613943.db2.gz CABUWBGPLFLFED-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)CCC)C1 ZINC001325864035 913613953 /nfs/dbraw/zinc/61/39/53/913613953.db2.gz CABUWBGPLFLFED-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)CCC)C1 ZINC001325864035 913613960 /nfs/dbraw/zinc/61/39/60/913613960.db2.gz CABUWBGPLFLFED-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001481062076 892124077 /nfs/dbraw/zinc/12/40/77/892124077.db2.gz ILAVNHUFNZHHKP-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+](CCC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001481151308 892233678 /nfs/dbraw/zinc/23/36/78/892233678.db2.gz BPXCFNREDRPYDC-UHFFFAOYSA-N 2 1 277.412 0.934 20 30 CCEDMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314839 892566421 /nfs/dbraw/zinc/56/64/21/892566421.db2.gz MPAPSVWOUNEOHI-NSHDSACASA-N 2 1 259.781 0.739 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC=C ZINC001482842274 894645309 /nfs/dbraw/zinc/64/53/09/894645309.db2.gz ZDNYWHNELCEIQA-KBPBESRZSA-N 2 1 263.385 0.754 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC=C ZINC001482842274 894645316 /nfs/dbraw/zinc/64/53/16/894645316.db2.gz ZDNYWHNELCEIQA-KBPBESRZSA-N 2 1 263.385 0.754 20 30 CCEDMP C=CC[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482892090 894674723 /nfs/dbraw/zinc/67/47/23/894674723.db2.gz WDKJHJJRJWLTTC-QWHCGFSZSA-N 2 1 253.390 0.999 20 30 CCEDMP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483215951 895122626 /nfs/dbraw/zinc/12/26/26/895122626.db2.gz WQISMCXJZNNVKO-STQMWFEESA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001483322956 895449894 /nfs/dbraw/zinc/44/98/94/895449894.db2.gz HBKHMZKQAOODCS-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001483322956 895449897 /nfs/dbraw/zinc/44/98/97/895449897.db2.gz HBKHMZKQAOODCS-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483322956 895449900 /nfs/dbraw/zinc/44/99/00/895449900.db2.gz HBKHMZKQAOODCS-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483322956 895449902 /nfs/dbraw/zinc/44/99/02/895449902.db2.gz HBKHMZKQAOODCS-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001483512307 895622914 /nfs/dbraw/zinc/62/29/14/895622914.db2.gz VHXJFMYLYMXAFA-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507503839 895625909 /nfs/dbraw/zinc/62/59/09/895625909.db2.gz JULCYBHOQXIWTG-UONOGXRCSA-N 2 1 283.416 0.313 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484070914 896182630 /nfs/dbraw/zinc/18/26/30/896182630.db2.gz IYOXVBOPLYADTO-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484070914 896182633 /nfs/dbraw/zinc/18/26/33/896182633.db2.gz IYOXVBOPLYADTO-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484070914 896182637 /nfs/dbraw/zinc/18/26/37/896182637.db2.gz IYOXVBOPLYADTO-GDBMZVCRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484278685 896312437 /nfs/dbraw/zinc/31/24/37/896312437.db2.gz PBLMKSWIWUEVPC-CQSZACIVSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001484278685 896312451 /nfs/dbraw/zinc/31/24/51/896312451.db2.gz PBLMKSWIWUEVPC-CQSZACIVSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001484640141 896517898 /nfs/dbraw/zinc/51/78/98/896517898.db2.gz ZHWYQKZSROKNSX-CYBMUJFWSA-N 2 1 263.385 0.732 20 30 CCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001484963008 896681952 /nfs/dbraw/zinc/68/19/52/896681952.db2.gz JGMIJSVQAYSMJO-UHFFFAOYSA-N 2 1 295.427 0.295 20 30 CCEDMP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001272885992 898119366 /nfs/dbraw/zinc/11/93/66/898119366.db2.gz RQHXQZFDNZJJIT-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001272885992 898119369 /nfs/dbraw/zinc/11/93/69/898119369.db2.gz RQHXQZFDNZJJIT-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078007590 898175200 /nfs/dbraw/zinc/17/52/00/898175200.db2.gz UWSVPFBJNUKGOU-MGPQQGTHSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001032792667 898264972 /nfs/dbraw/zinc/26/49/72/898264972.db2.gz JJFYTAKZLBIWKR-SOUVJXGZSA-N 2 1 293.411 0.568 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001032792667 898264985 /nfs/dbraw/zinc/26/49/85/898264985.db2.gz JJFYTAKZLBIWKR-SOUVJXGZSA-N 2 1 293.411 0.568 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001032792667 898264998 /nfs/dbraw/zinc/26/49/98/898264998.db2.gz JJFYTAKZLBIWKR-SOUVJXGZSA-N 2 1 293.411 0.568 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001032792667 898265008 /nfs/dbraw/zinc/26/50/08/898265008.db2.gz JJFYTAKZLBIWKR-SOUVJXGZSA-N 2 1 293.411 0.568 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486053229 898641035 /nfs/dbraw/zinc/64/10/35/898641035.db2.gz WSLJEICXDSTNRU-NEPJUHHUSA-N 2 1 289.807 0.147 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486053229 898641039 /nfs/dbraw/zinc/64/10/39/898641039.db2.gz WSLJEICXDSTNRU-NEPJUHHUSA-N 2 1 289.807 0.147 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001486356629 898815018 /nfs/dbraw/zinc/81/50/18/898815018.db2.gz PFOYQGDZUTVHEL-KGLIPLIRSA-N 2 1 283.416 0.265 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486356629 898815034 /nfs/dbraw/zinc/81/50/34/898815034.db2.gz PFOYQGDZUTVHEL-KGLIPLIRSA-N 2 1 283.416 0.265 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486356629 898815050 /nfs/dbraw/zinc/81/50/50/898815050.db2.gz PFOYQGDZUTVHEL-KGLIPLIRSA-N 2 1 283.416 0.265 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001187306496 900006817 /nfs/dbraw/zinc/00/68/17/900006817.db2.gz LTXLMEIRXSSECB-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001488752779 900369088 /nfs/dbraw/zinc/36/90/88/900369088.db2.gz COTNOEYRVSCAFH-BETUJISGSA-N 2 1 260.341 0.309 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001489141854 900437517 /nfs/dbraw/zinc/43/75/17/900437517.db2.gz RNMOQFVCECZMQS-MJBXVCDLSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001316606057 904152679 /nfs/dbraw/zinc/15/26/79/904152679.db2.gz SQCWPMJDBAKTMM-KGLIPLIRSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001281185862 904238813 /nfs/dbraw/zinc/23/88/13/904238813.db2.gz YHOLJJDKQLMDLJ-INIZCTEOSA-N 2 1 295.427 0.295 20 30 CCEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001281643611 904319661 /nfs/dbraw/zinc/31/96/61/904319661.db2.gz XWEJKJOIQOUXJY-AWEZNQCLSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001281769981 904344630 /nfs/dbraw/zinc/34/46/30/904344630.db2.gz BZLXUIOXMRZTQP-STQMWFEESA-N 2 1 253.390 0.999 20 30 CCEDMP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001282927224 904606598 /nfs/dbraw/zinc/60/65/98/904606598.db2.gz DQANTMICQKBBHI-GXTWGEPZSA-N 2 1 292.383 0.583 20 30 CCEDMP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001282927228 904606892 /nfs/dbraw/zinc/60/68/92/904606892.db2.gz DQANTMICQKBBHI-TZMCWYRMSA-N 2 1 292.383 0.583 20 30 CCEDMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001492044947 907681067 /nfs/dbraw/zinc/68/10/67/907681067.db2.gz YFBULSNQIFDUGR-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001492044949 907682160 /nfs/dbraw/zinc/68/21/60/907682160.db2.gz YFBULSNQIFDUGR-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001317243964 909083733 /nfs/dbraw/zinc/08/37/33/909083733.db2.gz DHQOSSAFTWKKDX-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317501034 909274320 /nfs/dbraw/zinc/27/43/20/909274320.db2.gz FAKIBLUVLFCGIK-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001317501034 909274306 /nfs/dbraw/zinc/27/43/06/909274306.db2.gz FAKIBLUVLFCGIK-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317501034 909274332 /nfs/dbraw/zinc/27/43/32/909274332.db2.gz FAKIBLUVLFCGIK-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001318538997 909801866 /nfs/dbraw/zinc/80/18/66/909801866.db2.gz AYCUQYYIOTUVIK-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001318570752 909820687 /nfs/dbraw/zinc/82/06/87/909820687.db2.gz QMQWKRHZCOTHQC-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001318878895 909906706 /nfs/dbraw/zinc/90/67/06/909906706.db2.gz QXOAXNPTOYCHSO-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001318878895 909906715 /nfs/dbraw/zinc/90/67/15/909906715.db2.gz QXOAXNPTOYCHSO-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001319224485 910046610 /nfs/dbraw/zinc/04/66/10/910046610.db2.gz HXKSLXKBOPPGHL-QWHCGFSZSA-N 2 1 251.374 0.446 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001319561120 910205437 /nfs/dbraw/zinc/20/54/37/910205437.db2.gz TUROKVLEADJBSI-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001321057795 911053928 /nfs/dbraw/zinc/05/39/28/911053928.db2.gz SLSQNCGTDBNSRN-VBROQKIQSA-N 2 1 263.385 0.754 20 30 CCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC#CCOC ZINC001321532355 911356098 /nfs/dbraw/zinc/35/60/98/911356098.db2.gz DLTGPJCMPJPVTP-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001329592977 916044958 /nfs/dbraw/zinc/04/49/58/916044958.db2.gz WIYJNWKZBBNNFE-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406249605 919135140 /nfs/dbraw/zinc/13/51/40/919135140.db2.gz ULQFBJYRPOLYNQ-NEPJUHHUSA-N 2 1 289.807 0.290 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001336892782 921085929 /nfs/dbraw/zinc/08/59/29/921085929.db2.gz BYONERXMPOFJMO-GDBMZVCRSA-N 2 1 292.427 0.854 20 30 CCEDMP C#CC[NH2+]CC(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC001342536240 922992202 /nfs/dbraw/zinc/99/22/02/922992202.db2.gz QFSMRHDVWJMLFF-NSHDSACASA-N 2 1 275.327 0.513 20 30 CCEDMP C=CCNC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000066245386 348738840 /nfs/dbraw/zinc/73/88/40/348738840.db2.gz XUASATWCOKRHFJ-HNNXBMFYSA-N 2 1 288.395 0.496 20 30 CCEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)C(C)C ZINC000165196636 350787899 /nfs/dbraw/zinc/78/78/99/350787899.db2.gz RPNNDQOBEVRXNZ-LSDHHAIUSA-N 2 1 295.427 0.790 20 30 CCEDMP N#Cc1ccc(CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000594876140 360406062 /nfs/dbraw/zinc/40/60/62/360406062.db2.gz FQRAAUZSHWFVNU-LSDHHAIUSA-N 2 1 284.363 0.345 20 30 CCEDMP N#Cc1ccc(CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000594876140 360406065 /nfs/dbraw/zinc/40/60/65/360406065.db2.gz FQRAAUZSHWFVNU-LSDHHAIUSA-N 2 1 284.363 0.345 20 30 CCEDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C#N)cn1 ZINC000596425845 360890772 /nfs/dbraw/zinc/89/07/72/360890772.db2.gz WSROQNOETJCYKK-UHFFFAOYSA-N 2 1 261.373 0.671 20 30 CCEDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C#N)cn1 ZINC000596425845 360890778 /nfs/dbraw/zinc/89/07/78/360890778.db2.gz WSROQNOETJCYKK-UHFFFAOYSA-N 2 1 261.373 0.671 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1=O ZINC000631891360 370740687 /nfs/dbraw/zinc/74/06/87/370740687.db2.gz YCVPTHRGPFOQNJ-IHRRRGAJSA-N 2 1 263.385 0.847 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1=O ZINC000631891360 370740693 /nfs/dbraw/zinc/74/06/93/370740693.db2.gz YCVPTHRGPFOQNJ-IHRRRGAJSA-N 2 1 263.385 0.847 20 30 CCEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000305102764 389084609 /nfs/dbraw/zinc/08/46/09/389084609.db2.gz YLIJGGPISQSPKX-HUUCEWRRSA-N 2 1 268.401 0.968 20 30 CCEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NC[C@@](C)(O)c1ccco1 ZINC000262495268 389287271 /nfs/dbraw/zinc/28/72/71/389287271.db2.gz ZZGRAAYCXHJXEK-IUODEOHRSA-N 2 1 294.399 0.604 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccco1 ZINC000267472244 389371182 /nfs/dbraw/zinc/37/11/82/389371182.db2.gz YCXKVYZHTBDHFG-IUODEOHRSA-N 2 1 294.399 0.876 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000334165550 389457670 /nfs/dbraw/zinc/45/76/70/389457670.db2.gz AJMYRSXHGRSGFT-UHFFFAOYSA-N 2 1 280.416 0.984 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442791739 389863121 /nfs/dbraw/zinc/86/31/21/389863121.db2.gz MGKGDJQJDJCHEN-QWHCGFSZSA-N 2 1 264.373 0.432 20 30 CCEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000570794514 390719149 /nfs/dbraw/zinc/71/91/49/390719149.db2.gz VVMOHBVYQAAOCG-ZFWWWQNUSA-N 2 1 293.415 0.624 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662702026 414743457 /nfs/dbraw/zinc/74/34/57/414743457.db2.gz VGVIZWCZMLSOKM-GOEBONIOSA-N 2 1 295.427 0.769 20 30 CCEDMP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CCC[NH2+]1 ZINC000662710556 414745072 /nfs/dbraw/zinc/74/50/72/414745072.db2.gz HADHSWQANXKHNL-ZBFHGGJFSA-N 2 1 295.427 0.912 20 30 CCEDMP CNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272883273 263009595 /nfs/dbraw/zinc/00/95/95/263009595.db2.gz HTYUDXLHKUVKBZ-ZDUSSCGKSA-N 2 1 262.357 0.287 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)nn1C ZINC000283962896 263085130 /nfs/dbraw/zinc/08/51/30/263085130.db2.gz KPSMBMFGTXZXBW-LBPRGKRZSA-N 2 1 278.404 0.617 20 30 CCEDMP CC[C@@]1(O)CC[NH+](CC#CC[N@@H+]2CC[C@](O)(CC)C2)C1 ZINC000342176661 263392603 /nfs/dbraw/zinc/39/26/03/263392603.db2.gz WGRKKLUDCMCZHU-HZPDHXFCSA-N 2 1 280.412 0.683 20 30 CCEDMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000262286125 330004264 /nfs/dbraw/zinc/00/42/64/330004264.db2.gz KEJBOVMAEVDMAD-INIZCTEOSA-N 2 1 288.395 0.969 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@H](COC)C1 ZINC000262431040 330010312 /nfs/dbraw/zinc/01/03/12/330010312.db2.gz FACJUZHCOFNSHM-CYBMUJFWSA-N 2 1 279.388 0.735 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000424145719 330291445 /nfs/dbraw/zinc/29/14/45/330291445.db2.gz OIFPDSKLWKBQCQ-NWDGAFQWSA-N 2 1 250.346 0.314 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000490635618 332098147 /nfs/dbraw/zinc/09/81/47/332098147.db2.gz IIYCQRFGRTZDKE-AWEZNQCLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C(C)C)C2)CC1 ZINC000491041001 332141951 /nfs/dbraw/zinc/14/19/51/332141951.db2.gz WVSAFNVLBXFKHA-UHFFFAOYSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000491395609 332204231 /nfs/dbraw/zinc/20/42/31/332204231.db2.gz UAXXKTNJVHQECJ-UHFFFAOYSA-N 2 1 280.416 0.630 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000491641135 332260847 /nfs/dbraw/zinc/26/08/47/332260847.db2.gz ZPITWLQJRDQKPU-UHFFFAOYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000491652802 332265395 /nfs/dbraw/zinc/26/53/95/332265395.db2.gz AZVPMXOGQRPZEO-STQMWFEESA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000491706238 332299093 /nfs/dbraw/zinc/29/90/93/332299093.db2.gz WWRMXNNDSFIUMA-OAHLLOKOSA-N 2 1 294.443 0.925 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C[NH+](C)CC)C1 ZINC000491706238 332299094 /nfs/dbraw/zinc/29/90/94/332299094.db2.gz WWRMXNNDSFIUMA-OAHLLOKOSA-N 2 1 294.443 0.925 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](C[NH+](C)CC)C1 ZINC000491706238 332299095 /nfs/dbraw/zinc/29/90/95/332299095.db2.gz WWRMXNNDSFIUMA-OAHLLOKOSA-N 2 1 294.443 0.925 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000491706818 332299630 /nfs/dbraw/zinc/29/96/30/332299630.db2.gz NYABEYYURPWWSU-CYBMUJFWSA-N 2 1 266.389 0.240 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN(C2CC2)CC1 ZINC000491739311 332318708 /nfs/dbraw/zinc/31/87/08/332318708.db2.gz GYDDJZZRVPMNHD-UHFFFAOYSA-N 2 1 278.400 0.431 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000491739311 332318709 /nfs/dbraw/zinc/31/87/09/332318709.db2.gz GYDDJZZRVPMNHD-UHFFFAOYSA-N 2 1 278.400 0.431 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C[NH3+])CCCC ZINC000491745175 332323083 /nfs/dbraw/zinc/32/30/83/332323083.db2.gz NBOVAGXCXKYDHZ-ZDUSSCGKSA-N 2 1 268.405 0.758 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000491771610 332338192 /nfs/dbraw/zinc/33/81/92/332338192.db2.gz PBGJHFXVGJZUNX-CQSZACIVSA-N 2 1 280.416 0.758 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000491813888 332365588 /nfs/dbraw/zinc/36/55/88/332365588.db2.gz LICSQUCRBUEGOI-ZDUSSCGKSA-N 2 1 251.374 0.447 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000491820139 332370003 /nfs/dbraw/zinc/37/00/03/332370003.db2.gz QAWHGFNJAGOUMW-CYBMUJFWSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000491820139 332370004 /nfs/dbraw/zinc/37/00/04/332370004.db2.gz QAWHGFNJAGOUMW-CYBMUJFWSA-N 2 1 280.416 0.723 20 30 CCEDMP N#CCNC(=O)C[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000547683181 334109011 /nfs/dbraw/zinc/10/90/11/334109011.db2.gz DICVRBJFVLFDAC-GFCCVEGCSA-N 2 1 287.367 0.648 20 30 CCEDMP N#CCNC(=O)C[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000547683181 334109013 /nfs/dbraw/zinc/10/90/13/334109013.db2.gz DICVRBJFVLFDAC-GFCCVEGCSA-N 2 1 287.367 0.648 20 30 CCEDMP COCC[N@@H+](C)CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190757568 536796061 /nfs/dbraw/zinc/79/60/61/536796061.db2.gz IDDAOERVCGXECW-UHFFFAOYSA-N 2 1 264.373 0.955 20 30 CCEDMP C=CCC[N@@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000786100883 581430628 /nfs/dbraw/zinc/43/06/28/581430628.db2.gz BURNBULZZIEPCE-UHFFFAOYSA-N 2 1 280.372 0.468 20 30 CCEDMP C=CCC[N@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000786100883 581430629 /nfs/dbraw/zinc/43/06/29/581430629.db2.gz BURNBULZZIEPCE-UHFFFAOYSA-N 2 1 280.372 0.468 20 30 CCEDMP C[NH+](C)CCCNC(=S)NN=C1CC[N@H+]2CCC[C@H]12 ZINC000765575062 581525769 /nfs/dbraw/zinc/52/57/69/581525769.db2.gz FWJLHSLZSQNNCI-GFCCVEGCSA-N 2 1 283.445 0.626 20 30 CCEDMP C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CC[NH3+])C1=O ZINC000420308817 581580886 /nfs/dbraw/zinc/58/08/86/581580886.db2.gz DLHHHCYKQIHGDO-CHWSQXEVSA-N 2 1 251.374 0.977 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCOCC[NH+](CC)CC ZINC000754486891 581593590 /nfs/dbraw/zinc/59/35/90/581593590.db2.gz OZNFHDQLXMUDCN-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCOCC[NH+](CC)CC ZINC000754486891 581593592 /nfs/dbraw/zinc/59/35/92/581593592.db2.gz OZNFHDQLXMUDCN-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000732307467 581819382 /nfs/dbraw/zinc/81/93/82/581819382.db2.gz FUOLEYLQZDQBCW-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000732307467 581819383 /nfs/dbraw/zinc/81/93/83/581819383.db2.gz FUOLEYLQZDQBCW-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000764580636 582056934 /nfs/dbraw/zinc/05/69/34/582056934.db2.gz ZYVMOKBQTZJVAY-CYBMUJFWSA-N 2 1 253.390 0.904 20 30 CCEDMP C#CCOCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000849017920 612985146 /nfs/dbraw/zinc/98/51/46/612985146.db2.gz NLYITNUKRWATKC-GFCCVEGCSA-N 2 1 252.362 0.234 20 30 CCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000969411392 612994361 /nfs/dbraw/zinc/99/43/61/612994361.db2.gz KCXFZLQJOVWTGO-TZMCWYRMSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000905004780 612946596 /nfs/dbraw/zinc/94/65/96/612946596.db2.gz RLKWJTHSDLQJDU-OKILXGFUSA-N 2 1 276.384 0.230 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000965063122 612954793 /nfs/dbraw/zinc/95/47/93/612954793.db2.gz JWIBISPVNDNDND-PHUJGXCVSA-N 2 1 289.423 0.834 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000970353405 612967350 /nfs/dbraw/zinc/96/73/50/612967350.db2.gz SNAAVTDRCWAKEC-CQSZACIVSA-N 2 1 295.346 0.705 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176050 613004201 /nfs/dbraw/zinc/00/42/01/613004201.db2.gz KNDMUBPEWACMLU-MRXNPFEDSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968646269 613015417 /nfs/dbraw/zinc/01/54/17/613015417.db2.gz CUZFGTGIUBJWQF-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968646269 613015418 /nfs/dbraw/zinc/01/54/18/613015418.db2.gz CUZFGTGIUBJWQF-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000961769875 613042630 /nfs/dbraw/zinc/04/26/30/613042630.db2.gz FJBSEAYRVYMHGI-TTZDDIAXSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC000961769875 613042632 /nfs/dbraw/zinc/04/26/32/613042632.db2.gz FJBSEAYRVYMHGI-TTZDDIAXSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC000961769875 613042633 /nfs/dbraw/zinc/04/26/33/613042633.db2.gz FJBSEAYRVYMHGI-TTZDDIAXSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CCC[C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000843101706 613059592 /nfs/dbraw/zinc/05/95/92/613059592.db2.gz PVVPORHOYPUKIL-SJORKVTESA-N 2 1 290.407 0.843 20 30 CCEDMP C#CCC[C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000843101706 613059593 /nfs/dbraw/zinc/05/95/93/613059593.db2.gz PVVPORHOYPUKIL-SJORKVTESA-N 2 1 290.407 0.843 20 30 CCEDMP C#CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000843270771 613072625 /nfs/dbraw/zinc/07/26/25/613072625.db2.gz ZKTJPJJRMRXURV-KBPBESRZSA-N 2 1 291.395 0.411 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891921740 613073911 /nfs/dbraw/zinc/07/39/11/613073911.db2.gz UFJCHFGWLPLSJW-AWEZNQCLSA-N 2 1 280.416 0.854 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000851661193 613074182 /nfs/dbraw/zinc/07/41/82/613074182.db2.gz GHGUSWYGNDNJKS-KGLIPLIRSA-N 2 1 280.416 0.710 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000868653635 613074294 /nfs/dbraw/zinc/07/42/94/613074294.db2.gz ZCQFXNHBHXRUAR-LSDHHAIUSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868653635 613074296 /nfs/dbraw/zinc/07/42/96/613074296.db2.gz ZCQFXNHBHXRUAR-LSDHHAIUSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868653635 613074297 /nfs/dbraw/zinc/07/42/97/613074297.db2.gz ZCQFXNHBHXRUAR-LSDHHAIUSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972629604 613080728 /nfs/dbraw/zinc/08/07/28/613080728.db2.gz WUENKNLOYHAWGO-CQSZACIVSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CC)C2)CC1 ZINC000957422168 613128762 /nfs/dbraw/zinc/12/87/62/613128762.db2.gz LTMABHNJPCSKDD-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000982012706 613140687 /nfs/dbraw/zinc/14/06/87/613140687.db2.gz FBGIUIQNPOZMBO-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000982012706 613140688 /nfs/dbraw/zinc/14/06/88/613140688.db2.gz FBGIUIQNPOZMBO-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000982012706 613140690 /nfs/dbraw/zinc/14/06/90/613140690.db2.gz FBGIUIQNPOZMBO-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000982012707 613140778 /nfs/dbraw/zinc/14/07/78/613140778.db2.gz FBGIUIQNPOZMBO-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000982012707 613140779 /nfs/dbraw/zinc/14/07/79/613140779.db2.gz FBGIUIQNPOZMBO-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000982012707 613140781 /nfs/dbraw/zinc/14/07/81/613140781.db2.gz FBGIUIQNPOZMBO-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000981843205 613142236 /nfs/dbraw/zinc/14/22/36/613142236.db2.gz WDJKCAXGCIZXLW-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)C1 ZINC000896490393 613167035 /nfs/dbraw/zinc/16/70/35/613167035.db2.gz SIIJBXBZLOFUEF-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000896490393 613167036 /nfs/dbraw/zinc/16/70/36/613167036.db2.gz SIIJBXBZLOFUEF-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)[C@@H]2CCC[NH+](C)C2)C1 ZINC000896490393 613167038 /nfs/dbraw/zinc/16/70/38/613167038.db2.gz SIIJBXBZLOFUEF-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@@H]2CCC[NH+](C)C2)C1 ZINC000896490393 613167039 /nfs/dbraw/zinc/16/70/39/613167039.db2.gz SIIJBXBZLOFUEF-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000884206298 613188108 /nfs/dbraw/zinc/18/81/08/613188108.db2.gz REILTLFUMHOIDC-KKUMJFAQSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000884206298 613188109 /nfs/dbraw/zinc/18/81/09/613188109.db2.gz REILTLFUMHOIDC-KKUMJFAQSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000884206298 613188110 /nfs/dbraw/zinc/18/81/10/613188110.db2.gz REILTLFUMHOIDC-KKUMJFAQSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000884206298 613188111 /nfs/dbraw/zinc/18/81/11/613188111.db2.gz REILTLFUMHOIDC-KKUMJFAQSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817677040 613194292 /nfs/dbraw/zinc/19/42/92/613194292.db2.gz NXJLYGCZYYOOTP-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000817677040 613194293 /nfs/dbraw/zinc/19/42/93/613194293.db2.gz NXJLYGCZYYOOTP-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000817677040 613194295 /nfs/dbraw/zinc/19/42/95/613194295.db2.gz NXJLYGCZYYOOTP-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000817677040 613194296 /nfs/dbraw/zinc/19/42/96/613194296.db2.gz NXJLYGCZYYOOTP-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC000960354246 613202436 /nfs/dbraw/zinc/20/24/36/613202436.db2.gz XFCSJCIWNWSTTN-LJISPDSOSA-N 2 1 293.386 0.490 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC000960354246 613202438 /nfs/dbraw/zinc/20/24/38/613202438.db2.gz XFCSJCIWNWSTTN-LJISPDSOSA-N 2 1 293.386 0.490 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCF)C[C@H]21 ZINC000960354246 613202440 /nfs/dbraw/zinc/20/24/40/613202440.db2.gz XFCSJCIWNWSTTN-LJISPDSOSA-N 2 1 293.386 0.490 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCF)C[C@H]21 ZINC000960354246 613202442 /nfs/dbraw/zinc/20/24/42/613202442.db2.gz XFCSJCIWNWSTTN-LJISPDSOSA-N 2 1 293.386 0.490 20 30 CCEDMP C[NH+]=C(NCCC[NH+]1CCOCC1)NC(C)(C)C ZINC000912498826 613219517 /nfs/dbraw/zinc/21/95/17/613219517.db2.gz JMDKIJDLCXMOOW-UHFFFAOYSA-N 2 1 256.394 0.672 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598136 613258157 /nfs/dbraw/zinc/25/81/57/613258157.db2.gz RVIPKIWBGLGZNH-ZFWWWQNUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946517237 613305402 /nfs/dbraw/zinc/30/54/02/613305402.db2.gz CIDSFMOXQTWOQB-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517237 613305403 /nfs/dbraw/zinc/30/54/03/613305403.db2.gz CIDSFMOXQTWOQB-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517237 613305405 /nfs/dbraw/zinc/30/54/05/613305405.db2.gz CIDSFMOXQTWOQB-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000978366393 613308137 /nfs/dbraw/zinc/30/81/37/613308137.db2.gz JQBKJSRRQGTYCK-XQLPTFJDSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978366393 613308138 /nfs/dbraw/zinc/30/81/38/613308138.db2.gz JQBKJSRRQGTYCK-XQLPTFJDSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978366393 613308140 /nfs/dbraw/zinc/30/81/40/613308140.db2.gz JQBKJSRRQGTYCK-XQLPTFJDSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000961965484 613315176 /nfs/dbraw/zinc/31/51/76/613315176.db2.gz ZGOASGNVMBUTGP-WCVJEAGWSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000961965458 613316045 /nfs/dbraw/zinc/31/60/45/613316045.db2.gz ZGOASGNVMBUTGP-CAOSSQGBSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC000961142675 613319512 /nfs/dbraw/zinc/31/95/12/613319512.db2.gz FNULOURHDVHVHQ-FICVDOATSA-N 2 1 280.331 0.628 20 30 CCEDMP C#CCNC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215280 613327557 /nfs/dbraw/zinc/32/75/57/613327557.db2.gz AWYCSKWKEJXPTO-UHFFFAOYSA-N 2 1 273.380 0.929 20 30 CCEDMP C#CCNC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215280 613327558 /nfs/dbraw/zinc/32/75/58/613327558.db2.gz AWYCSKWKEJXPTO-UHFFFAOYSA-N 2 1 273.380 0.929 20 30 CCEDMP C#CCNC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743896 613328563 /nfs/dbraw/zinc/32/85/63/613328563.db2.gz DYGRROPEWAXAGC-UHFFFAOYSA-N 2 1 272.352 0.343 20 30 CCEDMP C#CCNC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743896 613328564 /nfs/dbraw/zinc/32/85/64/613328564.db2.gz DYGRROPEWAXAGC-UHFFFAOYSA-N 2 1 272.352 0.343 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958374791 613339561 /nfs/dbraw/zinc/33/95/61/613339561.db2.gz OHDNBJCMMCAYJN-HUUCEWRRSA-N 2 1 295.427 0.313 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959926415 613345352 /nfs/dbraw/zinc/34/53/52/613345352.db2.gz VUFQWJPAMCQESX-CAOSSQGBSA-N 2 1 289.423 0.951 20 30 CCEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930136988 613362443 /nfs/dbraw/zinc/36/24/43/613362443.db2.gz QIWIHXCFVRQBGC-OAGGEKHMSA-N 2 1 281.444 0.881 20 30 CCEDMP C=C(CC)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849038692 613363209 /nfs/dbraw/zinc/36/32/09/613363209.db2.gz SMYJQAQEDBHMGF-UHFFFAOYSA-N 2 1 254.378 0.789 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000900653040 613363988 /nfs/dbraw/zinc/36/39/88/613363988.db2.gz VHSFRVIGMNSTOQ-UHFFFAOYSA-N 2 1 283.416 0.675 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000908526777 613364908 /nfs/dbraw/zinc/36/49/08/613364908.db2.gz OFPWPLUUMKCPLU-AWEZNQCLSA-N 2 1 283.416 0.457 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000813854768 613365761 /nfs/dbraw/zinc/36/57/61/613365761.db2.gz HWLSTDMEJBSIFP-UHFFFAOYSA-N 2 1 284.448 0.446 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000813854768 613365762 /nfs/dbraw/zinc/36/57/62/613365762.db2.gz HWLSTDMEJBSIFP-UHFFFAOYSA-N 2 1 284.448 0.446 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876736852 613388243 /nfs/dbraw/zinc/38/82/43/613388243.db2.gz LEHUNXGJEHSVLO-MWLCHTKSSA-N 2 1 257.765 0.809 20 30 CCEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969971101 613531385 /nfs/dbraw/zinc/53/13/85/613531385.db2.gz WVVCLUTYPCYHMZ-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595021 613557086 /nfs/dbraw/zinc/55/70/86/613557086.db2.gz OGFCOGNIOPHWQJ-KGLIPLIRSA-N 2 1 293.411 0.067 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978987633 613560084 /nfs/dbraw/zinc/56/00/84/613560084.db2.gz QYMOONYZELXGJJ-QKDCVEJESA-N 2 1 289.423 0.952 20 30 CCEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000923411839 613586749 /nfs/dbraw/zinc/58/67/49/613586749.db2.gz SNIURNKXDPDVTP-CHWSQXEVSA-N 2 1 265.361 0.311 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978680415 613628667 /nfs/dbraw/zinc/62/86/67/613628667.db2.gz RXTQTNGRAVPONX-PHZGNYQRSA-N 2 1 289.423 0.646 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC000961774342 613634224 /nfs/dbraw/zinc/63/42/24/613634224.db2.gz QYUONGZCUXFOLX-TTZDDIAXSA-N 2 1 275.396 0.540 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000961774342 613634228 /nfs/dbraw/zinc/63/42/28/613634228.db2.gz QYUONGZCUXFOLX-TTZDDIAXSA-N 2 1 275.396 0.540 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000961774342 613634232 /nfs/dbraw/zinc/63/42/32/613634232.db2.gz QYUONGZCUXFOLX-TTZDDIAXSA-N 2 1 275.396 0.540 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969958687 613670142 /nfs/dbraw/zinc/67/01/42/613670142.db2.gz NKFBYEGTUGGSCF-MBNYWOFBSA-N 2 1 281.400 0.328 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969958687 613670143 /nfs/dbraw/zinc/67/01/43/613670143.db2.gz NKFBYEGTUGGSCF-MBNYWOFBSA-N 2 1 281.400 0.328 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C1=O ZINC000923493235 613778228 /nfs/dbraw/zinc/77/82/28/613778228.db2.gz FXLWVVOLYURFMA-AVGNSLFASA-N 2 1 251.374 0.690 20 30 CCEDMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852901365 613926700 /nfs/dbraw/zinc/92/67/00/613926700.db2.gz FHLCCHRCBBVAIO-CQSZACIVSA-N 2 1 277.412 0.978 20 30 CCEDMP CC[NH+]=C(NCCO)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000153693471 614420820 /nfs/dbraw/zinc/42/08/20/614420820.db2.gz FKOLZYOBGHMOJT-WDEREUQCSA-N 2 1 254.378 0.159 20 30 CCEDMP CC[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884175449 615148768 /nfs/dbraw/zinc/14/87/68/615148768.db2.gz UHZGGTQDVLRQCB-JVWICGRDSA-N 2 1 276.384 0.290 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000932171940 615859056 /nfs/dbraw/zinc/85/90/56/615859056.db2.gz NAAHCJUPCZUIKP-UHFFFAOYSA-N 2 1 289.383 0.830 20 30 CCEDMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852860404 616204750 /nfs/dbraw/zinc/20/47/50/616204750.db2.gz PYEATLGPDCUUCA-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP C=CC[C@H]1CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000934460528 622708014 /nfs/dbraw/zinc/70/80/14/622708014.db2.gz JVNVWCMGWFHBLO-ZDUSSCGKSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[C@H]1CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000934460528 622708018 /nfs/dbraw/zinc/70/80/18/622708018.db2.gz JVNVWCMGWFHBLO-ZDUSSCGKSA-N 2 1 251.374 0.801 20 30 CCEDMP CC[NH+]1CCN(CCCCNC(NC)=[NH+]C)CC1 ZINC000161499218 622852184 /nfs/dbraw/zinc/85/21/84/622852184.db2.gz GBQWJHZTDUZJFO-UHFFFAOYSA-N 2 1 255.410 0.199 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001023275669 622975284 /nfs/dbraw/zinc/97/52/84/622975284.db2.gz QNGUJRZHEJRSEJ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCF)C1 ZINC001023423999 623026794 /nfs/dbraw/zinc/02/67/94/623026794.db2.gz LIVBGYLDBLDJRL-GJZGRUSLSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023452453 623034877 /nfs/dbraw/zinc/03/48/77/623034877.db2.gz ZUUVHSRBZCJDSJ-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023452453 623034884 /nfs/dbraw/zinc/03/48/84/623034884.db2.gz ZUUVHSRBZCJDSJ-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023452453 623034892 /nfs/dbraw/zinc/03/48/92/623034892.db2.gz ZUUVHSRBZCJDSJ-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023452453 623034897 /nfs/dbraw/zinc/03/48/97/623034897.db2.gz ZUUVHSRBZCJDSJ-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023756671 623132468 /nfs/dbraw/zinc/13/24/68/623132468.db2.gz ZEXGYSWFDUBPBY-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023756671 623132472 /nfs/dbraw/zinc/13/24/72/623132472.db2.gz ZEXGYSWFDUBPBY-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023756671 623132477 /nfs/dbraw/zinc/13/24/77/623132477.db2.gz ZEXGYSWFDUBPBY-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023756671 623132480 /nfs/dbraw/zinc/13/24/80/623132480.db2.gz ZEXGYSWFDUBPBY-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024375597 623300060 /nfs/dbraw/zinc/30/00/60/623300060.db2.gz UOFQYZIWSUGHQR-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024375597 623300062 /nfs/dbraw/zinc/30/00/62/623300062.db2.gz UOFQYZIWSUGHQR-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375597 623300067 /nfs/dbraw/zinc/30/00/67/623300067.db2.gz UOFQYZIWSUGHQR-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375597 623300073 /nfs/dbraw/zinc/30/00/73/623300073.db2.gz UOFQYZIWSUGHQR-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024803410 623447406 /nfs/dbraw/zinc/44/74/06/623447406.db2.gz HUDCQFUJGVIBNZ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001024803410 623447411 /nfs/dbraw/zinc/44/74/11/623447411.db2.gz HUDCQFUJGVIBNZ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024803410 623447413 /nfs/dbraw/zinc/44/74/13/623447413.db2.gz HUDCQFUJGVIBNZ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025797823 623884989 /nfs/dbraw/zinc/88/49/89/623884989.db2.gz WOKVKLDDAZYFJM-MRLBHPIUSA-N 2 1 291.395 0.082 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025797823 623884991 /nfs/dbraw/zinc/88/49/91/623884991.db2.gz WOKVKLDDAZYFJM-MRLBHPIUSA-N 2 1 291.395 0.082 20 30 CCEDMP CCCCNC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000303972295 624465501 /nfs/dbraw/zinc/46/55/01/624465501.db2.gz FORQRYJKMRNMSA-UHFFFAOYSA-N 2 1 269.437 0.718 20 30 CCEDMP CCCCNC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000303972295 624465503 /nfs/dbraw/zinc/46/55/03/624465503.db2.gz FORQRYJKMRNMSA-UHFFFAOYSA-N 2 1 269.437 0.718 20 30 CCEDMP CCCCNC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000303972295 624465504 /nfs/dbraw/zinc/46/55/04/624465504.db2.gz FORQRYJKMRNMSA-UHFFFAOYSA-N 2 1 269.437 0.718 20 30 CCEDMP C=CC[N@H+](CCOC)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903914412 634676386 /nfs/dbraw/zinc/67/63/86/634676386.db2.gz URBXZSBNIFTOHC-AWEZNQCLSA-N 2 1 280.416 0.980 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650209 630833882 /nfs/dbraw/zinc/83/38/82/630833882.db2.gz CGFUFFDKKCUKAJ-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027650209 630833886 /nfs/dbraw/zinc/83/38/86/630833886.db2.gz CGFUFFDKKCUKAJ-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027650209 630833888 /nfs/dbraw/zinc/83/38/88/630833888.db2.gz CGFUFFDKKCUKAJ-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007352472 650075500 /nfs/dbraw/zinc/07/55/00/650075500.db2.gz ZBGQXCVXTDZOFM-HZPDHXFCSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007352472 650075502 /nfs/dbraw/zinc/07/55/02/650075502.db2.gz ZBGQXCVXTDZOFM-HZPDHXFCSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989662293 633340360 /nfs/dbraw/zinc/34/03/60/633340360.db2.gz RWQJPYGLTFXQPG-CYBMUJFWSA-N 2 1 251.374 0.658 20 30 CCEDMP C=CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989662293 633340364 /nfs/dbraw/zinc/34/03/64/633340364.db2.gz RWQJPYGLTFXQPG-CYBMUJFWSA-N 2 1 251.374 0.658 20 30 CCEDMP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989662293 633340366 /nfs/dbraw/zinc/34/03/66/633340366.db2.gz RWQJPYGLTFXQPG-CYBMUJFWSA-N 2 1 251.374 0.658 20 30 CCEDMP C=CCN1CCCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC000989709266 633347471 /nfs/dbraw/zinc/34/74/71/633347471.db2.gz FUCOMHGGOWANMO-CQSZACIVSA-N 2 1 281.400 0.427 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001009201574 650139149 /nfs/dbraw/zinc/13/91/49/650139149.db2.gz LDGPZZFEEDGOHV-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001009201574 650139150 /nfs/dbraw/zinc/13/91/50/650139150.db2.gz LDGPZZFEEDGOHV-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009201574 650139151 /nfs/dbraw/zinc/13/91/51/650139151.db2.gz LDGPZZFEEDGOHV-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP COCCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000170913801 637105167 /nfs/dbraw/zinc/10/51/67/637105167.db2.gz LIUFYAOLDJOLQB-UHFFFAOYSA-N 2 1 272.393 0.040 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992483768 637447754 /nfs/dbraw/zinc/44/77/54/637447754.db2.gz ZDIZMUAWHAANPY-GDBMZVCRSA-N 2 1 286.379 0.938 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992483768 637447755 /nfs/dbraw/zinc/44/77/55/637447755.db2.gz ZDIZMUAWHAANPY-GDBMZVCRSA-N 2 1 286.379 0.938 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993759464 637843216 /nfs/dbraw/zinc/84/32/16/637843216.db2.gz LDIVKNWHMJCRSL-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997187970 638858317 /nfs/dbraw/zinc/85/83/17/638858317.db2.gz YFJFCHSQBSHVLL-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997337442 638862897 /nfs/dbraw/zinc/86/28/97/638862897.db2.gz TXDSQHKCROHXNE-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997337442 638862898 /nfs/dbraw/zinc/86/28/98/638862898.db2.gz TXDSQHKCROHXNE-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997860867 638886587 /nfs/dbraw/zinc/88/65/87/638886587.db2.gz MSKZHDJXCWIHBH-DZGCQCFKSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189880 638966153 /nfs/dbraw/zinc/96/61/53/638966153.db2.gz NYZXBUNDVYYYMM-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014716109 650481228 /nfs/dbraw/zinc/48/12/28/650481228.db2.gz IHWAKTDYXGAXBY-CABCVRRESA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014716109 650481229 /nfs/dbraw/zinc/48/12/29/650481229.db2.gz IHWAKTDYXGAXBY-CABCVRRESA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014716109 650481232 /nfs/dbraw/zinc/48/12/32/650481232.db2.gz IHWAKTDYXGAXBY-CABCVRRESA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014716109 650481238 /nfs/dbraw/zinc/48/12/38/650481238.db2.gz IHWAKTDYXGAXBY-CABCVRRESA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001001461332 639300981 /nfs/dbraw/zinc/30/09/81/639300981.db2.gz JDFPYGMPIICYKZ-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001001461332 639300988 /nfs/dbraw/zinc/30/09/88/639300988.db2.gz JDFPYGMPIICYKZ-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001001461332 639300991 /nfs/dbraw/zinc/30/09/91/639300991.db2.gz JDFPYGMPIICYKZ-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001001461332 639301001 /nfs/dbraw/zinc/30/10/01/639301001.db2.gz JDFPYGMPIICYKZ-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001002138682 639371660 /nfs/dbraw/zinc/37/16/60/639371660.db2.gz LXCVXPBAXJAVRQ-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002138682 639371667 /nfs/dbraw/zinc/37/16/67/639371667.db2.gz LXCVXPBAXJAVRQ-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003497706 639554854 /nfs/dbraw/zinc/55/48/54/639554854.db2.gz WQLDXLDAFUOLIN-HNNXBMFYSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003497706 639554862 /nfs/dbraw/zinc/55/48/62/639554862.db2.gz WQLDXLDAFUOLIN-HNNXBMFYSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015060866 650522186 /nfs/dbraw/zinc/52/21/86/650522186.db2.gz UECRYPZJOLZQEK-LSDHHAIUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001015060866 650522190 /nfs/dbraw/zinc/52/21/90/650522190.db2.gz UECRYPZJOLZQEK-LSDHHAIUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060866 650522195 /nfs/dbraw/zinc/52/21/95/650522195.db2.gz UECRYPZJOLZQEK-LSDHHAIUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060866 650522197 /nfs/dbraw/zinc/52/21/97/650522197.db2.gz UECRYPZJOLZQEK-LSDHHAIUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001015610977 650590926 /nfs/dbraw/zinc/59/09/26/650590926.db2.gz CBEIXSWMFMKJRY-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015610977 650590928 /nfs/dbraw/zinc/59/09/28/650590928.db2.gz CBEIXSWMFMKJRY-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015610977 650590931 /nfs/dbraw/zinc/59/09/31/650590931.db2.gz CBEIXSWMFMKJRY-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001015700833 650612230 /nfs/dbraw/zinc/61/22/30/650612230.db2.gz BQAGTQPSNWRXQY-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015700833 650612232 /nfs/dbraw/zinc/61/22/32/650612232.db2.gz BQAGTQPSNWRXQY-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015700833 650612234 /nfs/dbraw/zinc/61/22/34/650612234.db2.gz BQAGTQPSNWRXQY-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001016306210 650715157 /nfs/dbraw/zinc/71/51/57/650715157.db2.gz OKWWCPIFLSRUPW-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001016306210 650715161 /nfs/dbraw/zinc/71/51/61/650715161.db2.gz OKWWCPIFLSRUPW-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016306210 650715163 /nfs/dbraw/zinc/71/51/63/650715163.db2.gz OKWWCPIFLSRUPW-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016306210 650715166 /nfs/dbraw/zinc/71/51/66/650715166.db2.gz OKWWCPIFLSRUPW-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001016553846 650744114 /nfs/dbraw/zinc/74/41/14/650744114.db2.gz TYFXEAKLYSFLAP-KBPBESRZSA-N 2 1 293.411 0.474 20 30 CCEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553846 650744115 /nfs/dbraw/zinc/74/41/15/650744115.db2.gz TYFXEAKLYSFLAP-KBPBESRZSA-N 2 1 293.411 0.474 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001016969154 650775259 /nfs/dbraw/zinc/77/52/59/650775259.db2.gz JWEACOOOAVRITB-KBPBESRZSA-N 2 1 275.396 0.542 20 30 CCEDMP C[C@@H]1C[NH+]=C(NCCC[N@H+]2CCCO[C@@H](C)C2)N1 ZINC000849022677 643702513 /nfs/dbraw/zinc/70/25/13/643702513.db2.gz QVIDNGJFGUVCAY-NEPJUHHUSA-N 2 1 254.378 0.425 20 30 CCEDMP C[C@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1C ZINC000852868666 644033301 /nfs/dbraw/zinc/03/33/01/644033301.db2.gz UJAAMZSXXQWSBZ-GXTWGEPZSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001019069789 650935495 /nfs/dbraw/zinc/93/54/95/650935495.db2.gz ITFNEZGZEXCIBW-NSHDSACASA-N 2 1 278.356 0.726 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001019298069 650958510 /nfs/dbraw/zinc/95/85/10/650958510.db2.gz XTUUBNFZYWFBRC-KGLIPLIRSA-N 2 1 286.379 0.578 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020179057 651046305 /nfs/dbraw/zinc/04/63/05/651046305.db2.gz MLHZKJVZWIRHCD-KBUPBQIOSA-N 2 1 293.411 0.663 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001020301142 651057757 /nfs/dbraw/zinc/05/77/57/651057757.db2.gz QDAPKHDJSLBZSG-JHJVBQTASA-N 2 1 251.374 0.894 20 30 CCEDMP C[C@H]1CNC(NN=C2CCC[N@@H+]3CCSC[C@H]23)=[NH+]1 ZINC000872364003 646251320 /nfs/dbraw/zinc/25/13/20/646251320.db2.gz ADEWGMNFLFLASM-GXSJLCMTSA-N 2 1 267.402 0.491 20 30 CCEDMP C[C@H]1CNC(NN=C2CCC[N@H+]3CCSC[C@H]23)=[NH+]1 ZINC000872364003 646251325 /nfs/dbraw/zinc/25/13/25/646251325.db2.gz ADEWGMNFLFLASM-GXSJLCMTSA-N 2 1 267.402 0.491 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303771596 649824579 /nfs/dbraw/zinc/82/45/79/649824579.db2.gz CSVOIETUNRGRRO-CHWSQXEVSA-N 2 1 286.420 0.282 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[NH+](C)C1 ZINC000303882469 649826353 /nfs/dbraw/zinc/82/63/53/649826353.db2.gz ICEYJYPWSNUWFU-OLZOCXBDSA-N 3 1 267.421 0.327 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000303882469 649826355 /nfs/dbraw/zinc/82/63/55/649826355.db2.gz ICEYJYPWSNUWFU-OLZOCXBDSA-N 2 1 267.421 0.327 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000303882469 649826356 /nfs/dbraw/zinc/82/63/56/649826356.db2.gz ICEYJYPWSNUWFU-OLZOCXBDSA-N 2 1 267.421 0.327 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266432091 790692607 /nfs/dbraw/zinc/69/26/07/790692607.db2.gz QYZQLPKTSHQQNJ-CYBMUJFWSA-N 2 1 253.390 0.644 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266879423 791317554 /nfs/dbraw/zinc/31/75/54/791317554.db2.gz WGLSFCOJOGSZHB-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266965458 791404394 /nfs/dbraw/zinc/40/43/94/791404394.db2.gz UPQADHLLMLKLAY-JSGCOSHPSA-N 2 1 288.395 0.872 20 30 CCEDMP C#CCC[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001267157013 791602897 /nfs/dbraw/zinc/60/28/97/791602897.db2.gz FPRGQZHEHXZTPJ-GFCCVEGCSA-N 2 1 262.357 0.699 20 30 CCEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001277937810 806409202 /nfs/dbraw/zinc/40/92/02/806409202.db2.gz JAJBVPRDIPNEGB-OLZOCXBDSA-N 2 1 253.390 0.951 20 30 CCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001278078566 806654191 /nfs/dbraw/zinc/65/41/91/806654191.db2.gz XLKRTILQRXZYOA-KBPBESRZSA-N 2 1 283.416 0.502 20 30 CCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001120574246 798871492 /nfs/dbraw/zinc/87/14/92/798871492.db2.gz LOVYZSUMTZJWKX-KGLIPLIRSA-N 2 1 268.405 0.124 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001120574424 798872070 /nfs/dbraw/zinc/87/20/70/798872070.db2.gz LOVYZSUMTZJWKX-UONOGXRCSA-N 2 1 268.405 0.124 20 30 CCEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccccc2C#N)C1 ZINC001151049577 800389697 /nfs/dbraw/zinc/38/96/97/800389697.db2.gz SLCGCYJPGSBOPW-HNNXBMFYSA-N 2 1 286.379 0.716 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152457330 800523119 /nfs/dbraw/zinc/52/31/19/800523119.db2.gz BYZQBYLTCDQKCG-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445716 800631712 /nfs/dbraw/zinc/63/17/12/800631712.db2.gz GYGWJMDLCJUKIN-MGPQQGTHSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153445716 800631716 /nfs/dbraw/zinc/63/17/16/800631716.db2.gz GYGWJMDLCJUKIN-MGPQQGTHSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153445716 800631719 /nfs/dbraw/zinc/63/17/19/800631719.db2.gz GYGWJMDLCJUKIN-MGPQQGTHSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157886192 801510454 /nfs/dbraw/zinc/51/04/54/801510454.db2.gz BNVKLUWTRLCBMB-CYBMUJFWSA-N 2 1 251.374 0.588 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001159097446 801758581 /nfs/dbraw/zinc/75/85/81/801758581.db2.gz HCROKCSCJHJLAT-RYUDHWBXSA-N 2 1 255.337 0.359 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001159097446 801758587 /nfs/dbraw/zinc/75/85/87/801758587.db2.gz HCROKCSCJHJLAT-RYUDHWBXSA-N 2 1 255.337 0.359 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160267582 801924060 /nfs/dbraw/zinc/92/40/60/801924060.db2.gz OGKPODHVGDKFMB-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP N#Cc1cnc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)cn1 ZINC001160510075 801953166 /nfs/dbraw/zinc/95/31/66/801953166.db2.gz FOBZKNPLANWHJW-CYBMUJFWSA-N 2 1 258.329 0.183 20 30 CCEDMP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001278799425 808267171 /nfs/dbraw/zinc/26/71/71/808267171.db2.gz AVEVCAYFAAMXMF-HOCLYGCPSA-N 2 1 295.427 0.600 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001278799425 808267176 /nfs/dbraw/zinc/26/71/76/808267176.db2.gz AVEVCAYFAAMXMF-HOCLYGCPSA-N 2 1 295.427 0.600 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001278799425 808267180 /nfs/dbraw/zinc/26/71/80/808267180.db2.gz AVEVCAYFAAMXMF-HOCLYGCPSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163940217 802637870 /nfs/dbraw/zinc/63/78/70/802637870.db2.gz KHYURHZYSSEFOK-CYBMUJFWSA-N 2 1 281.400 0.379 20 30 CCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940217 802637873 /nfs/dbraw/zinc/63/78/73/802637873.db2.gz KHYURHZYSSEFOK-CYBMUJFWSA-N 2 1 281.400 0.379 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028538319 812828029 /nfs/dbraw/zinc/82/80/29/812828029.db2.gz BMKLEAWGWVNTOA-GOEBONIOSA-N 2 1 289.423 0.790 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537078 812829124 /nfs/dbraw/zinc/82/91/24/812829124.db2.gz GTYZYEWKZCSWJU-LSDHHAIUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537078 812829134 /nfs/dbraw/zinc/82/91/34/812829134.db2.gz GTYZYEWKZCSWJU-LSDHHAIUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537078 812829145 /nfs/dbraw/zinc/82/91/45/812829145.db2.gz GTYZYEWKZCSWJU-LSDHHAIUSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204881966 803107882 /nfs/dbraw/zinc/10/78/82/803107882.db2.gz FSAXZEQDLMPKNI-CQSZACIVSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204881966 803107884 /nfs/dbraw/zinc/10/78/84/803107884.db2.gz FSAXZEQDLMPKNI-CQSZACIVSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207733949 803443359 /nfs/dbraw/zinc/44/33/59/803443359.db2.gz BONIMSSPZUJPDW-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207733949 803443363 /nfs/dbraw/zinc/44/33/63/803443363.db2.gz BONIMSSPZUJPDW-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410614 803512486 /nfs/dbraw/zinc/51/24/86/803512486.db2.gz BSEAFIAHYFWWAH-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410614 803512488 /nfs/dbraw/zinc/51/24/88/803512488.db2.gz BSEAFIAHYFWWAH-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208453642 803515205 /nfs/dbraw/zinc/51/52/05/803515205.db2.gz MDMZPLFXUIWQBO-ZDUSSCGKSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCn2ccnc2)[C@H](OC)C1 ZINC001213241625 803687168 /nfs/dbraw/zinc/68/71/68/803687168.db2.gz GJMCOBRBZAYMQX-CHWSQXEVSA-N 2 1 278.356 0.275 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCn2ccnc2)[C@H](OC)C1 ZINC001213241625 803687169 /nfs/dbraw/zinc/68/71/69/803687169.db2.gz GJMCOBRBZAYMQX-CHWSQXEVSA-N 2 1 278.356 0.275 20 30 CCEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218918591 804157272 /nfs/dbraw/zinc/15/72/72/804157272.db2.gz HFPKWJQKKQFEJB-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218918591 804157280 /nfs/dbraw/zinc/15/72/80/804157280.db2.gz HFPKWJQKKQFEJB-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218918591 804157285 /nfs/dbraw/zinc/15/72/85/804157285.db2.gz HFPKWJQKKQFEJB-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218918591 804157290 /nfs/dbraw/zinc/15/72/90/804157290.db2.gz HFPKWJQKKQFEJB-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357953 804285691 /nfs/dbraw/zinc/28/56/91/804285691.db2.gz RJCLKTFIJHZAFI-RDBSUJKOSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357953 804285698 /nfs/dbraw/zinc/28/56/98/804285698.db2.gz RJCLKTFIJHZAFI-RDBSUJKOSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357953 804285707 /nfs/dbraw/zinc/28/57/07/804285707.db2.gz RJCLKTFIJHZAFI-RDBSUJKOSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357953 804285711 /nfs/dbraw/zinc/28/57/11/804285711.db2.gz RJCLKTFIJHZAFI-RDBSUJKOSA-N 2 1 281.400 0.208 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830491 804430241 /nfs/dbraw/zinc/43/02/41/804430241.db2.gz YCTSMZGFBIWTHY-KFWWJZLASA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830491 804430246 /nfs/dbraw/zinc/43/02/46/804430246.db2.gz YCTSMZGFBIWTHY-KFWWJZLASA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830491 804430251 /nfs/dbraw/zinc/43/02/51/804430251.db2.gz YCTSMZGFBIWTHY-KFWWJZLASA-N 2 1 293.411 0.045 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091371 804730155 /nfs/dbraw/zinc/73/01/55/804730155.db2.gz LUVCDCMLFDKWQQ-KGLIPLIRSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091371 804730160 /nfs/dbraw/zinc/73/01/60/804730160.db2.gz LUVCDCMLFDKWQQ-KGLIPLIRSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091371 804730167 /nfs/dbraw/zinc/73/01/67/804730167.db2.gz LUVCDCMLFDKWQQ-KGLIPLIRSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246021444 807119870 /nfs/dbraw/zinc/11/98/70/807119870.db2.gz MNOPBIWWHJWUHI-OLZOCXBDSA-N 2 1 260.353 0.703 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246021444 807119873 /nfs/dbraw/zinc/11/98/73/807119873.db2.gz MNOPBIWWHJWUHI-OLZOCXBDSA-N 2 1 260.353 0.703 20 30 CCEDMP C=C(C)CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001272226209 815127208 /nfs/dbraw/zinc/12/72/08/815127208.db2.gz UNEQKKXMRQYCKC-CQSZACIVSA-N 2 1 283.416 0.457 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101037580 815139709 /nfs/dbraw/zinc/13/97/09/815139709.db2.gz SNSWJIIJMFDCBP-UHFFFAOYSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CCOC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001251857535 807722885 /nfs/dbraw/zinc/72/28/85/807722885.db2.gz FFMMGMFRCPZHQW-QLFBSQMISA-N 2 1 266.385 0.271 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001251857535 807722886 /nfs/dbraw/zinc/72/28/86/807722886.db2.gz FFMMGMFRCPZHQW-QLFBSQMISA-N 2 1 266.385 0.271 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001251857535 807722889 /nfs/dbraw/zinc/72/28/89/807722889.db2.gz FFMMGMFRCPZHQW-QLFBSQMISA-N 2 1 266.385 0.271 20 30 CCEDMP C#CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001251857538 807723394 /nfs/dbraw/zinc/72/33/94/807723394.db2.gz FFMMGMFRCPZHQW-ZNMIVQPWSA-N 2 1 266.385 0.271 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001251857538 807723401 /nfs/dbraw/zinc/72/34/01/807723401.db2.gz FFMMGMFRCPZHQW-ZNMIVQPWSA-N 2 1 266.385 0.271 20 30 CCEDMP C#CCOC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001251857538 807723409 /nfs/dbraw/zinc/72/34/09/807723409.db2.gz FFMMGMFRCPZHQW-ZNMIVQPWSA-N 2 1 266.385 0.271 20 30 CCEDMP C=CCOC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001252470378 807880867 /nfs/dbraw/zinc/88/08/67/807880867.db2.gz KITXKWORDZMIMB-UONOGXRCSA-N 2 1 254.374 0.578 20 30 CCEDMP C=CCOC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001252470378 807880870 /nfs/dbraw/zinc/88/08/70/807880870.db2.gz KITXKWORDZMIMB-UONOGXRCSA-N 2 1 254.374 0.578 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001252470378 807880875 /nfs/dbraw/zinc/88/08/75/807880875.db2.gz KITXKWORDZMIMB-UONOGXRCSA-N 2 1 254.374 0.578 20 30 CCEDMP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278777108 808215181 /nfs/dbraw/zinc/21/51/81/808215181.db2.gz SUPCPPOWSWIFPJ-ZBFHGGJFSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001278779424 808222609 /nfs/dbraw/zinc/22/26/09/808222609.db2.gz KOZCVUHZFVBEKO-CYBMUJFWSA-N 2 1 280.372 0.177 20 30 CCEDMP C[N@@H+]1CCC[C@@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C1 ZINC001255472744 808380934 /nfs/dbraw/zinc/38/09/34/808380934.db2.gz FWGWRLYBBJSKHX-GFCCVEGCSA-N 2 1 260.341 0.585 20 30 CCEDMP C[N@H+]1CCC[C@@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C1 ZINC001255472744 808380941 /nfs/dbraw/zinc/38/09/41/808380941.db2.gz FWGWRLYBBJSKHX-GFCCVEGCSA-N 2 1 260.341 0.585 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001278868775 808391429 /nfs/dbraw/zinc/39/14/29/808391429.db2.gz IIQJNGBJUQABCD-ZIAGYGMSSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278868775 808391434 /nfs/dbraw/zinc/39/14/34/808391434.db2.gz IIQJNGBJUQABCD-ZIAGYGMSSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001278868775 808391444 /nfs/dbraw/zinc/39/14/44/808391444.db2.gz IIQJNGBJUQABCD-ZIAGYGMSSA-N 2 1 283.416 0.408 20 30 CCEDMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC#CC[NH+](C)C ZINC001256584567 808537472 /nfs/dbraw/zinc/53/74/72/808537472.db2.gz GQYIVKPPGADECG-UHFFFAOYSA-N 2 1 291.399 0.788 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001263975305 809614964 /nfs/dbraw/zinc/61/49/64/809614964.db2.gz DJNLYVSEMKWXOU-RRFJBIMHSA-N 2 1 295.427 0.577 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265604591 809812822 /nfs/dbraw/zinc/81/28/22/809812822.db2.gz GNFLRVLXYWWDTO-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265604591 809812827 /nfs/dbraw/zinc/81/28/27/809812827.db2.gz GNFLRVLXYWWDTO-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001266169178 809953888 /nfs/dbraw/zinc/95/38/88/809953888.db2.gz SGAYQUKXIKHIOH-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001266174588 809954279 /nfs/dbraw/zinc/95/42/79/809954279.db2.gz MYEWEHXAIMLWTR-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001266174588 809954284 /nfs/dbraw/zinc/95/42/84/809954284.db2.gz MYEWEHXAIMLWTR-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001266174588 809954290 /nfs/dbraw/zinc/95/42/90/809954290.db2.gz MYEWEHXAIMLWTR-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001267334169 811170846 /nfs/dbraw/zinc/17/08/46/811170846.db2.gz ATQNLFCZRFWKBP-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001077131613 815448911 /nfs/dbraw/zinc/44/89/11/815448911.db2.gz IKWRQEMJZQWFEQ-RRFJBIMHSA-N 2 1 295.427 0.597 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077131613 815448913 /nfs/dbraw/zinc/44/89/13/815448913.db2.gz IKWRQEMJZQWFEQ-RRFJBIMHSA-N 2 1 295.427 0.597 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077131613 815448916 /nfs/dbraw/zinc/44/89/16/815448916.db2.gz IKWRQEMJZQWFEQ-RRFJBIMHSA-N 2 1 295.427 0.597 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077131613 815448917 /nfs/dbraw/zinc/44/89/17/815448917.db2.gz IKWRQEMJZQWFEQ-RRFJBIMHSA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001077236027 815467658 /nfs/dbraw/zinc/46/76/58/815467658.db2.gz CLXAQYHJBVBDAL-QLFBSQMISA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077236027 815467662 /nfs/dbraw/zinc/46/76/62/815467662.db2.gz CLXAQYHJBVBDAL-QLFBSQMISA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001077236027 815467666 /nfs/dbraw/zinc/46/76/66/815467666.db2.gz CLXAQYHJBVBDAL-QLFBSQMISA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077236027 815467670 /nfs/dbraw/zinc/46/76/70/815467670.db2.gz CLXAQYHJBVBDAL-QLFBSQMISA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077236027 815467671 /nfs/dbraw/zinc/46/76/71/815467671.db2.gz CLXAQYHJBVBDAL-QLFBSQMISA-N 2 1 295.427 0.598 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267766621 811763212 /nfs/dbraw/zinc/76/32/12/811763212.db2.gz JTJBWXUKQFMRRX-KBPBESRZSA-N 2 1 265.401 0.739 20 30 CCEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)CC[NH+]1CCOCC1 ZINC001267822587 811816724 /nfs/dbraw/zinc/81/67/24/811816724.db2.gz QDGUASVLUOONEA-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027894258 812125886 /nfs/dbraw/zinc/12/58/86/812125886.db2.gz LKMBUWVJSISBBT-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027894258 812125890 /nfs/dbraw/zinc/12/58/90/812125890.db2.gz LKMBUWVJSISBBT-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027894258 812125895 /nfs/dbraw/zinc/12/58/95/812125895.db2.gz LKMBUWVJSISBBT-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001028094285 812273777 /nfs/dbraw/zinc/27/37/77/812273777.db2.gz WRKFACYWJUYNPD-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028094285 812273780 /nfs/dbraw/zinc/27/37/80/812273780.db2.gz WRKFACYWJUYNPD-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028094285 812273789 /nfs/dbraw/zinc/27/37/89/812273789.db2.gz WRKFACYWJUYNPD-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001268193509 812352983 /nfs/dbraw/zinc/35/29/83/812352983.db2.gz NATLMANIJUSFFV-UONOGXRCSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001268193509 812352993 /nfs/dbraw/zinc/35/29/93/812352993.db2.gz NATLMANIJUSFFV-UONOGXRCSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028262933 812529201 /nfs/dbraw/zinc/52/92/01/812529201.db2.gz GFHROTHNACRHRH-ZDUSSCGKSA-N 2 1 261.369 0.296 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207684814 812562014 /nfs/dbraw/zinc/56/20/14/812562014.db2.gz UGHFWEFCMZLUMA-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028444905 812711423 /nfs/dbraw/zinc/71/14/23/812711423.db2.gz IGWWOAZOPDWDIW-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001028444905 812711430 /nfs/dbraw/zinc/71/14/30/812711430.db2.gz IGWWOAZOPDWDIW-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001028444905 812711438 /nfs/dbraw/zinc/71/14/38/812711438.db2.gz IGWWOAZOPDWDIW-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028594493 812932865 /nfs/dbraw/zinc/93/28/65/812932865.db2.gz HLHOWAMHKCZMQD-KGLIPLIRSA-N 2 1 286.379 0.832 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028594493 812932870 /nfs/dbraw/zinc/93/28/70/812932870.db2.gz HLHOWAMHKCZMQD-KGLIPLIRSA-N 2 1 286.379 0.832 20 30 CCEDMP COCC#CCN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001269142906 813238639 /nfs/dbraw/zinc/23/86/39/813238639.db2.gz OSBGLYRGGLBVFP-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP COCC#CCN1CC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001269142906 813238644 /nfs/dbraw/zinc/23/86/44/813238644.db2.gz OSBGLYRGGLBVFP-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028933434 813672543 /nfs/dbraw/zinc/67/25/43/813672543.db2.gz OWJBOUSGRMJXLN-CYBMUJFWSA-N 2 1 286.379 0.833 20 30 CCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028986941 813726317 /nfs/dbraw/zinc/72/63/17/813726317.db2.gz VBXZQRRPZQVZDS-STQMWFEESA-N 2 1 251.374 0.562 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028986941 813726323 /nfs/dbraw/zinc/72/63/23/813726323.db2.gz VBXZQRRPZQVZDS-STQMWFEESA-N 2 1 251.374 0.562 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028986941 813726327 /nfs/dbraw/zinc/72/63/27/813726327.db2.gz VBXZQRRPZQVZDS-STQMWFEESA-N 2 1 251.374 0.562 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908704 814266838 /nfs/dbraw/zinc/26/68/38/814266838.db2.gz KZLBSGWQWCCBLJ-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908704 814266848 /nfs/dbraw/zinc/26/68/48/814266848.db2.gz KZLBSGWQWCCBLJ-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908704 814266855 /nfs/dbraw/zinc/26/68/55/814266855.db2.gz KZLBSGWQWCCBLJ-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170350 814437297 /nfs/dbraw/zinc/43/72/97/814437297.db2.gz OJKHAEAQPAEJML-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170350 814437300 /nfs/dbraw/zinc/43/73/00/814437300.db2.gz OJKHAEAQPAEJML-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170350 814437303 /nfs/dbraw/zinc/43/73/03/814437303.db2.gz OJKHAEAQPAEJML-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046319707 816501223 /nfs/dbraw/zinc/50/12/23/816501223.db2.gz VLSCPSDLPGCSED-NVXWUHKLSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127262654 816535326 /nfs/dbraw/zinc/53/53/26/816535326.db2.gz PGBAUFBCJKFUHQ-UONOGXRCSA-N 2 1 263.385 0.590 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106766159 816901150 /nfs/dbraw/zinc/90/11/50/816901150.db2.gz BWHYNNBGJVBKIT-HUUCEWRRSA-N 2 1 293.411 0.026 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031265412 816914949 /nfs/dbraw/zinc/91/49/49/816914949.db2.gz FFFUIWGFHHKMIG-UHFFFAOYSA-N 2 1 263.385 0.849 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC[C@@H](C)F)C2)CC1 ZINC001031434840 817052825 /nfs/dbraw/zinc/05/28/25/817052825.db2.gz HJEVAKXMXOZXKS-CYBMUJFWSA-N 2 1 295.402 0.880 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665819 817230700 /nfs/dbraw/zinc/23/07/00/817230700.db2.gz INRMJWYGGHVEAS-AWEZNQCLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031665819 817230708 /nfs/dbraw/zinc/23/07/08/817230708.db2.gz INRMJWYGGHVEAS-AWEZNQCLSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001031684530 817243000 /nfs/dbraw/zinc/24/30/00/817243000.db2.gz RLIMIWNXXMBPEG-LSDHHAIUSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001031684530 817243005 /nfs/dbraw/zinc/24/30/05/817243005.db2.gz RLIMIWNXXMBPEG-LSDHHAIUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031921282 817464902 /nfs/dbraw/zinc/46/49/02/817464902.db2.gz LXZVPLSYMQXEFA-OAHLLOKOSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976510 817514539 /nfs/dbraw/zinc/51/45/39/817514539.db2.gz NHEPTMXXKNMUOI-TZMCWYRMSA-N 2 1 263.385 0.255 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220552 817729940 /nfs/dbraw/zinc/72/99/40/817729940.db2.gz JCTGDWALKQMDAK-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220552 817729945 /nfs/dbraw/zinc/72/99/45/817729945.db2.gz JCTGDWALKQMDAK-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001032313960 817844888 /nfs/dbraw/zinc/84/48/88/817844888.db2.gz QMKWDWRWVSQELZ-MELADBBJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001032313960 817844893 /nfs/dbraw/zinc/84/48/93/817844893.db2.gz QMKWDWRWVSQELZ-MELADBBJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001032313960 817844902 /nfs/dbraw/zinc/84/49/02/817844902.db2.gz QMKWDWRWVSQELZ-MELADBBJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001032313960 817844912 /nfs/dbraw/zinc/84/49/12/817844912.db2.gz QMKWDWRWVSQELZ-MELADBBJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001032315164 817846703 /nfs/dbraw/zinc/84/67/03/817846703.db2.gz DALTZSPAOOIKOA-IHRRRGAJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001032315164 817846709 /nfs/dbraw/zinc/84/67/09/817846709.db2.gz DALTZSPAOOIKOA-IHRRRGAJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001032315164 817846724 /nfs/dbraw/zinc/84/67/24/817846724.db2.gz DALTZSPAOOIKOA-IHRRRGAJSA-N 2 1 263.385 0.942 20 30 CCEDMP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272955515 818125615 /nfs/dbraw/zinc/12/56/15/818125615.db2.gz RFBJYGIGBIAGNC-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357600 818738051 /nfs/dbraw/zinc/73/80/51/818738051.db2.gz INZNSZYOGOKBPJ-GJZGRUSLSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357600 818738058 /nfs/dbraw/zinc/73/80/58/818738058.db2.gz INZNSZYOGOKBPJ-GJZGRUSLSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357600 818738063 /nfs/dbraw/zinc/73/80/63/818738063.db2.gz INZNSZYOGOKBPJ-GJZGRUSLSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357600 818738071 /nfs/dbraw/zinc/73/80/71/818738071.db2.gz INZNSZYOGOKBPJ-GJZGRUSLSA-N 2 1 295.427 0.814 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033415777 818762909 /nfs/dbraw/zinc/76/29/09/818762909.db2.gz KRHLXDMFAQNAOA-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033415777 818762920 /nfs/dbraw/zinc/76/29/20/818762920.db2.gz KRHLXDMFAQNAOA-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415777 818762927 /nfs/dbraw/zinc/76/29/27/818762927.db2.gz KRHLXDMFAQNAOA-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415777 818762936 /nfs/dbraw/zinc/76/29/36/818762936.db2.gz KRHLXDMFAQNAOA-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033415774 818763818 /nfs/dbraw/zinc/76/38/18/818763818.db2.gz KRHLXDMFAQNAOA-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001033415774 818763822 /nfs/dbraw/zinc/76/38/22/818763822.db2.gz KRHLXDMFAQNAOA-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033415774 818763827 /nfs/dbraw/zinc/76/38/27/818763827.db2.gz KRHLXDMFAQNAOA-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033415774 818763834 /nfs/dbraw/zinc/76/38/34/818763834.db2.gz KRHLXDMFAQNAOA-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033666353 818874541 /nfs/dbraw/zinc/87/45/41/818874541.db2.gz VZKJJCWDZNUMEN-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033666353 818874548 /nfs/dbraw/zinc/87/45/48/818874548.db2.gz VZKJJCWDZNUMEN-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034489379 819220355 /nfs/dbraw/zinc/22/03/55/819220355.db2.gz BXUCKVJALLFIDJ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079494772 820412695 /nfs/dbraw/zinc/41/26/95/820412695.db2.gz OGGIGOWUUGUOLP-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079494772 820412700 /nfs/dbraw/zinc/41/27/00/820412700.db2.gz OGGIGOWUUGUOLP-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079494772 820412704 /nfs/dbraw/zinc/41/27/04/820412704.db2.gz OGGIGOWUUGUOLP-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC=C)C[C@H]2C)CC1 ZINC001080998237 820669567 /nfs/dbraw/zinc/66/95/67/820669567.db2.gz WQVKQTANZXKOLP-GDBMZVCRSA-N 2 1 289.423 0.954 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H](OC)C1 ZINC001081766777 820835768 /nfs/dbraw/zinc/83/57/68/820835768.db2.gz CUDKUIBSDCIVHO-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](OC)C1 ZINC001081766777 820835780 /nfs/dbraw/zinc/83/57/80/820835780.db2.gz CUDKUIBSDCIVHO-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766777 820835792 /nfs/dbraw/zinc/83/57/92/820835792.db2.gz CUDKUIBSDCIVHO-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766777 820835802 /nfs/dbraw/zinc/83/58/02/820835802.db2.gz CUDKUIBSDCIVHO-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520740 820994700 /nfs/dbraw/zinc/99/47/00/820994700.db2.gz QBPDBUBTTZCQTL-AAVRWANBSA-N 2 1 263.385 0.396 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082919879 821060477 /nfs/dbraw/zinc/06/04/77/821060477.db2.gz IRVKWDGMWBRAMY-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598983 821842501 /nfs/dbraw/zinc/84/25/01/821842501.db2.gz FMKVSSVGBWNJBI-GJZGRUSLSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598983 821842510 /nfs/dbraw/zinc/84/25/10/821842510.db2.gz FMKVSSVGBWNJBI-GJZGRUSLSA-N 2 1 275.396 0.494 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988305 821870254 /nfs/dbraw/zinc/87/02/54/821870254.db2.gz GOYTXTOOFLYXAR-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP N#CCc1cncc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155376715 822137693 /nfs/dbraw/zinc/13/76/93/822137693.db2.gz NGRUGLSTHZWSAC-CQSZACIVSA-N 2 1 286.383 0.402 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001086278428 822185087 /nfs/dbraw/zinc/18/50/87/822185087.db2.gz WFTFCUUUMHOOQF-ZNMIVQPWSA-N 2 1 277.412 0.978 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086332104 822211466 /nfs/dbraw/zinc/21/14/66/822211466.db2.gz SHGMJAYBBOYKTA-IHRRRGAJSA-N 2 1 281.400 0.378 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086332104 822211471 /nfs/dbraw/zinc/21/14/71/822211471.db2.gz SHGMJAYBBOYKTA-IHRRRGAJSA-N 2 1 281.400 0.378 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001129771173 837557864 /nfs/dbraw/zinc/55/78/64/837557864.db2.gz SLPVHUPGVGSYBC-GJZGRUSLSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001129771173 837557873 /nfs/dbraw/zinc/55/78/73/837557873.db2.gz SLPVHUPGVGSYBC-GJZGRUSLSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169989581 836640528 /nfs/dbraw/zinc/64/05/28/836640528.db2.gz BVGFMBGSHDPKSD-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169989581 836640531 /nfs/dbraw/zinc/64/05/31/836640531.db2.gz BVGFMBGSHDPKSD-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387576 836647922 /nfs/dbraw/zinc/64/79/22/836647922.db2.gz WVVJTKCKFULARL-AWEZNQCLSA-N 2 1 293.415 0.485 20 30 CCEDMP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1ccnc1)C2 ZINC001109579305 836698194 /nfs/dbraw/zinc/69/81/94/836698194.db2.gz NZXIEQLFEBASFU-RDBSUJKOSA-N 2 1 272.352 0.628 20 30 CCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1 ZINC001115341984 836701966 /nfs/dbraw/zinc/70/19/66/836701966.db2.gz NLVMKROGWWQUED-NHAGDIPZSA-N 2 1 290.367 0.132 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086550295 836863155 /nfs/dbraw/zinc/86/31/55/836863155.db2.gz CKCDPCNVUHUILR-JHJVBQTASA-N 2 1 251.374 0.609 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113629317 837182315 /nfs/dbraw/zinc/18/23/15/837182315.db2.gz AGJBNFCUOOMOTM-AWEZNQCLSA-N 2 1 281.400 0.285 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001113629317 837182319 /nfs/dbraw/zinc/18/23/19/837182319.db2.gz AGJBNFCUOOMOTM-AWEZNQCLSA-N 2 1 281.400 0.285 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893624 838514766 /nfs/dbraw/zinc/51/47/66/838514766.db2.gz WFXLXQRGSXJFHN-STQMWFEESA-N 2 1 253.390 0.999 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134766390 839067064 /nfs/dbraw/zinc/06/70/64/839067064.db2.gz GYTWEJGRLVPUMH-AWEZNQCLSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102956 839162436 /nfs/dbraw/zinc/16/24/36/839162436.db2.gz RAKORVJXCSPEFF-KBPBESRZSA-N 2 1 263.385 0.732 20 30 CCEDMP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675575 839350663 /nfs/dbraw/zinc/35/06/63/839350663.db2.gz IPFYSBKMEUMJTF-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185692490 844447358 /nfs/dbraw/zinc/44/73/58/844447358.db2.gz UWMHBPKXTAEQEF-DZGCQCFKSA-N 2 1 288.395 0.899 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090541773 839629243 /nfs/dbraw/zinc/62/92/43/839629243.db2.gz XYIBMJMCENIZLI-UONOGXRCSA-N 2 1 281.400 0.066 20 30 CCEDMP C#CCCN1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C1=O ZINC001246344381 839812388 /nfs/dbraw/zinc/81/23/88/839812388.db2.gz JJRDOYNTZYPBJM-RDBSUJKOSA-N 2 1 263.385 0.731 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2)[C@H](O)C1 ZINC001090845834 839850848 /nfs/dbraw/zinc/85/08/48/839850848.db2.gz AQLGVAGRYJWRTO-ZIAGYGMSSA-N 2 1 292.383 0.401 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148153480 840747957 /nfs/dbraw/zinc/74/79/57/840747957.db2.gz OHHOQTAXLSNRLK-UHFFFAOYSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092774455 841071370 /nfs/dbraw/zinc/07/13/70/841071370.db2.gz MUJAXVKBVFXXQV-HUUCEWRRSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001095240794 842122544 /nfs/dbraw/zinc/12/25/44/842122544.db2.gz DSHHZLFEGOLSBX-ZOBORPQBSA-N 2 1 261.369 0.435 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731151 842912864 /nfs/dbraw/zinc/91/28/64/842912864.db2.gz MPWBVAXZTPBWAF-BARDWOONSA-N 2 1 277.412 0.929 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981696 842942450 /nfs/dbraw/zinc/94/24/50/842942450.db2.gz BSHDPDWUZKAYGX-CBBWQLFWSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981696 842942455 /nfs/dbraw/zinc/94/24/55/842942455.db2.gz BSHDPDWUZKAYGX-CBBWQLFWSA-N 2 1 295.427 0.861 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H]1C ZINC001179986891 843091410 /nfs/dbraw/zinc/09/14/10/843091410.db2.gz GDFYZQONVDKTSY-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#CC)C1 ZINC001183361042 844006023 /nfs/dbraw/zinc/00/60/23/844006023.db2.gz DNHJWRDXOUXXGR-CABCVRRESA-N 2 1 273.380 0.298 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#CC)C1 ZINC001183361042 844006030 /nfs/dbraw/zinc/00/60/30/844006030.db2.gz DNHJWRDXOUXXGR-CABCVRRESA-N 2 1 273.380 0.298 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189471998 845138631 /nfs/dbraw/zinc/13/86/31/845138631.db2.gz ZOEQBQOVDHCFML-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001273591330 845307736 /nfs/dbraw/zinc/30/77/36/845307736.db2.gz OFPXIQDOIDWOBV-CYBMUJFWSA-N 2 1 251.374 0.352 20 30 CCEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273591330 845307740 /nfs/dbraw/zinc/30/77/40/845307740.db2.gz OFPXIQDOIDWOBV-CYBMUJFWSA-N 2 1 251.374 0.352 20 30 CCEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273591330 845307750 /nfs/dbraw/zinc/30/77/50/845307750.db2.gz OFPXIQDOIDWOBV-CYBMUJFWSA-N 2 1 251.374 0.352 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190370982 845398959 /nfs/dbraw/zinc/39/89/59/845398959.db2.gz MYBFUZFFUGWLPY-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190370982 845398970 /nfs/dbraw/zinc/39/89/70/845398970.db2.gz MYBFUZFFUGWLPY-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190370982 845398979 /nfs/dbraw/zinc/39/89/79/845398979.db2.gz MYBFUZFFUGWLPY-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046315 845769295 /nfs/dbraw/zinc/76/92/95/845769295.db2.gz MRBMRBTXOKIUFB-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001193600904 846137666 /nfs/dbraw/zinc/13/76/66/846137666.db2.gz OKOBOGONURFFNT-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193600904 846137669 /nfs/dbraw/zinc/13/76/69/846137669.db2.gz OKOBOGONURFFNT-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193600904 846137674 /nfs/dbraw/zinc/13/76/74/846137674.db2.gz OKOBOGONURFFNT-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193892576 846176428 /nfs/dbraw/zinc/17/64/28/846176428.db2.gz SUMHOIGHBRKCTJ-RRFJBIMHSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193892576 846176432 /nfs/dbraw/zinc/17/64/32/846176432.db2.gz SUMHOIGHBRKCTJ-RRFJBIMHSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193892576 846176437 /nfs/dbraw/zinc/17/64/37/846176437.db2.gz SUMHOIGHBRKCTJ-RRFJBIMHSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194265228 846255016 /nfs/dbraw/zinc/25/50/16/846255016.db2.gz NYIKZKZWAFDNRW-CHWSQXEVSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194265228 846255018 /nfs/dbraw/zinc/25/50/18/846255018.db2.gz NYIKZKZWAFDNRW-CHWSQXEVSA-N 2 1 283.416 0.454 20 30 CCEDMP CCN(CC[NH2+]CC#CCOC)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001273710443 846662514 /nfs/dbraw/zinc/66/25/14/846662514.db2.gz VFTQCYYBXDTPTF-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197057563 846834173 /nfs/dbraw/zinc/83/41/73/846834173.db2.gz DVHFLGZDNDJSFD-RBSFLKMASA-N 2 1 297.443 0.844 20 30 CCEDMP CC#CC[NH2+]CCN(CC)C(=O)C[N@@H+](C)C(C)C ZINC001273772559 847166387 /nfs/dbraw/zinc/16/63/87/847166387.db2.gz YUDNQISAIVLOMY-UHFFFAOYSA-N 2 1 253.390 0.788 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200536896 847646025 /nfs/dbraw/zinc/64/60/25/847646025.db2.gz IQPKORFMQWLGPH-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200536289 847646144 /nfs/dbraw/zinc/64/61/44/847646144.db2.gz CEZZBMBTPIFHDG-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CCCO1 ZINC001200858879 847694240 /nfs/dbraw/zinc/69/42/40/847694240.db2.gz IIHHGDJLLWNDPP-CQSZACIVSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001201093596 847719583 /nfs/dbraw/zinc/71/95/83/847719583.db2.gz FJSUQOSKLPBMSF-INIZCTEOSA-N 2 1 287.407 0.688 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001201093596 847719584 /nfs/dbraw/zinc/71/95/84/847719584.db2.gz FJSUQOSKLPBMSF-INIZCTEOSA-N 2 1 287.407 0.688 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001201321637 847765328 /nfs/dbraw/zinc/76/53/28/847765328.db2.gz RXQPOMHIMSJHKL-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001275135025 848646888 /nfs/dbraw/zinc/64/68/88/848646888.db2.gz DYSNQEVCNMJURD-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP COCC#CC[N@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001275882876 848857100 /nfs/dbraw/zinc/85/71/00/848857100.db2.gz VJQBOLJVZRVOMT-CYBMUJFWSA-N 2 1 292.383 0.278 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001275882876 848857103 /nfs/dbraw/zinc/85/71/03/848857103.db2.gz VJQBOLJVZRVOMT-CYBMUJFWSA-N 2 1 292.383 0.278 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001095424422 848906311 /nfs/dbraw/zinc/90/63/11/848906311.db2.gz QIAOKCQTSLZJRA-WCVJEAGWSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001095424422 848906313 /nfs/dbraw/zinc/90/63/13/848906313.db2.gz QIAOKCQTSLZJRA-WCVJEAGWSA-N 2 1 287.407 0.683 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038672023 849978863 /nfs/dbraw/zinc/97/88/63/849978863.db2.gz USBUJJYFKOGLNL-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038672023 849978870 /nfs/dbraw/zinc/97/88/70/849978870.db2.gz USBUJJYFKOGLNL-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001041714801 850489324 /nfs/dbraw/zinc/48/93/24/850489324.db2.gz RQVQLNJZQUKOTF-MRXNPFEDSA-N 2 1 286.379 0.900 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788768 850501516 /nfs/dbraw/zinc/50/15/16/850501516.db2.gz IFZZBOWGLSRMOB-MRXNPFEDSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788767 850502643 /nfs/dbraw/zinc/50/26/43/850502643.db2.gz IFZZBOWGLSRMOB-INIZCTEOSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001043884003 850956472 /nfs/dbraw/zinc/95/64/72/850956472.db2.gz ZJEJVAZPVWSOJE-JSGCOSHPSA-N 2 1 263.385 0.350 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043884003 850956476 /nfs/dbraw/zinc/95/64/76/850956476.db2.gz ZJEJVAZPVWSOJE-JSGCOSHPSA-N 2 1 263.385 0.350 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001096015015 851221858 /nfs/dbraw/zinc/22/18/58/851221858.db2.gz QOQLCQYXJYWCHN-KBXIAJHMSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001096015015 851221870 /nfs/dbraw/zinc/22/18/70/851221870.db2.gz QOQLCQYXJYWCHN-KBXIAJHMSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001096015015 851221879 /nfs/dbraw/zinc/22/18/79/851221879.db2.gz QOQLCQYXJYWCHN-KBXIAJHMSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001096015015 851221891 /nfs/dbraw/zinc/22/18/91/851221891.db2.gz QOQLCQYXJYWCHN-KBXIAJHMSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001046570327 851553557 /nfs/dbraw/zinc/55/35/57/851553557.db2.gz ZCPLWXOMGJWGFF-OFQRWUPVSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046570327 851553563 /nfs/dbraw/zinc/55/35/63/851553563.db2.gz ZCPLWXOMGJWGFF-OFQRWUPVSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046570327 851553570 /nfs/dbraw/zinc/55/35/70/851553570.db2.gz ZCPLWXOMGJWGFF-OFQRWUPVSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001047528480 851801147 /nfs/dbraw/zinc/80/11/47/851801147.db2.gz RSYFZARQFVIOKB-ILXRZTDVSA-N 2 1 295.427 0.408 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048721286 852031969 /nfs/dbraw/zinc/03/19/69/852031969.db2.gz ZRMSRVMXHLDAMK-HZSPNIEDSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048721286 852031972 /nfs/dbraw/zinc/03/19/72/852031972.db2.gz ZRMSRVMXHLDAMK-HZSPNIEDSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048721286 852031976 /nfs/dbraw/zinc/03/19/76/852031976.db2.gz ZRMSRVMXHLDAMK-HZSPNIEDSA-N 2 1 261.369 0.104 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048823974 852075872 /nfs/dbraw/zinc/07/58/72/852075872.db2.gz OZEBLUQVOQGRLP-OWCLPIDISA-N 2 1 289.423 0.904 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001048849166 852081739 /nfs/dbraw/zinc/08/17/39/852081739.db2.gz DLSLDCMUAMOBCK-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849166 852081742 /nfs/dbraw/zinc/08/17/42/852081742.db2.gz DLSLDCMUAMOBCK-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849166 852081750 /nfs/dbraw/zinc/08/17/50/852081750.db2.gz DLSLDCMUAMOBCK-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049906229 852393990 /nfs/dbraw/zinc/39/39/90/852393990.db2.gz QPSPUUWFTDRYMM-GJZGRUSLSA-N 2 1 286.379 0.890 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049906229 852393997 /nfs/dbraw/zinc/39/39/97/852393997.db2.gz QPSPUUWFTDRYMM-GJZGRUSLSA-N 2 1 286.379 0.890 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001054833898 853021037 /nfs/dbraw/zinc/02/10/37/853021037.db2.gz NAODVOXPNMFBGF-RISCZKNCSA-N 2 1 292.383 0.972 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050130619 853320396 /nfs/dbraw/zinc/32/03/96/853320396.db2.gz CVUWCRWIHMPFMP-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072578737 854421306 /nfs/dbraw/zinc/42/13/06/854421306.db2.gz OWZJJTWADDJQRM-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072578737 854421310 /nfs/dbraw/zinc/42/13/10/854421310.db2.gz OWZJJTWADDJQRM-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578737 854421314 /nfs/dbraw/zinc/42/13/14/854421314.db2.gz OWZJJTWADDJQRM-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578737 854421321 /nfs/dbraw/zinc/42/13/21/854421321.db2.gz OWZJJTWADDJQRM-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001072752359 854457660 /nfs/dbraw/zinc/45/76/60/854457660.db2.gz GZVDYEVGJHXQSC-LSDHHAIUSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001072752359 854457665 /nfs/dbraw/zinc/45/76/65/854457665.db2.gz GZVDYEVGJHXQSC-LSDHHAIUSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001072752359 854457675 /nfs/dbraw/zinc/45/76/75/854457675.db2.gz GZVDYEVGJHXQSC-LSDHHAIUSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001072858843 854481521 /nfs/dbraw/zinc/48/15/21/854481521.db2.gz KOVHABJIWKNYJR-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001072858843 854481525 /nfs/dbraw/zinc/48/15/25/854481525.db2.gz KOVHABJIWKNYJR-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001072858843 854481530 /nfs/dbraw/zinc/48/15/30/854481530.db2.gz KOVHABJIWKNYJR-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001072982934 854506429 /nfs/dbraw/zinc/50/64/29/854506429.db2.gz GJZYRHPGDNDVHB-KBPBESRZSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072982934 854506434 /nfs/dbraw/zinc/50/64/34/854506434.db2.gz GJZYRHPGDNDVHB-KBPBESRZSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072982934 854506443 /nfs/dbraw/zinc/50/64/43/854506443.db2.gz GJZYRHPGDNDVHB-KBPBESRZSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001073128029 854534533 /nfs/dbraw/zinc/53/45/33/854534533.db2.gz OPJYYLBWSVHOQZ-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073128029 854534540 /nfs/dbraw/zinc/53/45/40/854534540.db2.gz OPJYYLBWSVHOQZ-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073128029 854534548 /nfs/dbraw/zinc/53/45/48/854534548.db2.gz OPJYYLBWSVHOQZ-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](CC#C)CC3)C2)C1 ZINC001073459209 854559822 /nfs/dbraw/zinc/55/98/22/854559822.db2.gz RQOXOPGHSAJPHG-UHFFFAOYSA-N 2 1 299.418 0.499 20 30 CCEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886436 854656929 /nfs/dbraw/zinc/65/69/29/854656929.db2.gz OGRKPVORMRQAGH-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886436 854656931 /nfs/dbraw/zinc/65/69/31/854656931.db2.gz OGRKPVORMRQAGH-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073890545 854660352 /nfs/dbraw/zinc/66/03/52/854660352.db2.gz GBVYLCJAWMPBQM-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073890545 854660355 /nfs/dbraw/zinc/66/03/55/854660355.db2.gz GBVYLCJAWMPBQM-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073890545 854660359 /nfs/dbraw/zinc/66/03/59/854660359.db2.gz GBVYLCJAWMPBQM-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081456 855094327 /nfs/dbraw/zinc/09/43/27/855094327.db2.gz SRUVJSYOFDOFAV-GJZGRUSLSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100126056 855104654 /nfs/dbraw/zinc/10/46/54/855104654.db2.gz ARGRKMUPUGSFNC-HUUCEWRRSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100126056 855104657 /nfs/dbraw/zinc/10/46/57/855104657.db2.gz ARGRKMUPUGSFNC-HUUCEWRRSA-N 2 1 293.411 0.047 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001100187900 855113206 /nfs/dbraw/zinc/11/32/06/855113206.db2.gz RJRDUFJDOSWMRC-RUXDESIVSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111875067 855601988 /nfs/dbraw/zinc/60/19/88/855601988.db2.gz PQFUBEZMKOJTAJ-DZKIICNBSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111926766 855606152 /nfs/dbraw/zinc/60/61/52/855606152.db2.gz HNCMHVXLPVDEBB-HOCLYGCPSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111926766 855606155 /nfs/dbraw/zinc/60/61/55/855606155.db2.gz HNCMHVXLPVDEBB-HOCLYGCPSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111926766 855606156 /nfs/dbraw/zinc/60/61/56/855606156.db2.gz HNCMHVXLPVDEBB-HOCLYGCPSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CCC ZINC001115153155 855646843 /nfs/dbraw/zinc/64/68/43/855646843.db2.gz ZMKUUVKUBIMBCF-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115153155 855646848 /nfs/dbraw/zinc/64/68/48/855646848.db2.gz ZMKUUVKUBIMBCF-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115153155 855646851 /nfs/dbraw/zinc/64/68/51/855646851.db2.gz ZMKUUVKUBIMBCF-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)Cc1cncn1C ZINC001323334079 912275222 /nfs/dbraw/zinc/27/52/22/912275222.db2.gz HTZZBVSFOCQNER-ZDUSSCGKSA-N 2 1 292.383 0.356 20 30 CCEDMP C=CCOCCN1CC[C@H]1CNC(=O)Cc1cncn1C ZINC001323334079 912275234 /nfs/dbraw/zinc/27/52/34/912275234.db2.gz HTZZBVSFOCQNER-ZDUSSCGKSA-N 2 1 292.383 0.356 20 30 CCEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001324705735 912989830 /nfs/dbraw/zinc/98/98/30/912989830.db2.gz IPABNZBFWMREMD-GOEBONIOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001324705735 912989848 /nfs/dbraw/zinc/98/98/48/912989848.db2.gz IPABNZBFWMREMD-GOEBONIOSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001325866329 913620878 /nfs/dbraw/zinc/62/08/78/913620878.db2.gz VPNICYIFQCFSDU-GOEBONIOSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001325866329 913620888 /nfs/dbraw/zinc/62/08/88/913620888.db2.gz VPNICYIFQCFSDU-GOEBONIOSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001325866329 913620900 /nfs/dbraw/zinc/62/09/00/913620900.db2.gz VPNICYIFQCFSDU-GOEBONIOSA-N 2 1 295.427 0.457 20 30 CCEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481170284 892262821 /nfs/dbraw/zinc/26/28/21/892262821.db2.gz KVDAJUADTCTZKR-INIZCTEOSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481424052 892640387 /nfs/dbraw/zinc/64/03/87/892640387.db2.gz NBKLHBUSYVSIJG-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481424052 892640394 /nfs/dbraw/zinc/64/03/94/892640394.db2.gz NBKLHBUSYVSIJG-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481424052 892640401 /nfs/dbraw/zinc/64/04/01/892640401.db2.gz NBKLHBUSYVSIJG-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481639419 892944925 /nfs/dbraw/zinc/94/49/25/892944925.db2.gz ZIEKJNLFJWQZCL-CQSZACIVSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH2+]C[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001482155537 893446313 /nfs/dbraw/zinc/44/63/13/893446313.db2.gz GCQZWRFLLLCHMC-ZDUSSCGKSA-N 2 1 297.362 0.856 20 30 CCEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482728098 894549433 /nfs/dbraw/zinc/54/94/33/894549433.db2.gz DZSMHODNNSBLRQ-KGLIPLIRSA-N 2 1 283.416 0.502 20 30 CCEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001482848731 894647593 /nfs/dbraw/zinc/64/75/93/894647593.db2.gz SWOKJQHCHHOFJA-LBPRGKRZSA-N 2 1 292.383 0.858 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001483383058 895522176 /nfs/dbraw/zinc/52/21/76/895522176.db2.gz DZTZUVQJCSQKOC-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483383058 895522181 /nfs/dbraw/zinc/52/21/81/895522181.db2.gz DZTZUVQJCSQKOC-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483383058 895522184 /nfs/dbraw/zinc/52/21/84/895522184.db2.gz DZTZUVQJCSQKOC-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483941213 896125915 /nfs/dbraw/zinc/12/59/15/896125915.db2.gz PUBKZNPGMUNQGR-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001484857403 896637486 /nfs/dbraw/zinc/63/74/86/896637486.db2.gz ZFRJWAZTEQFTQE-MRXNPFEDSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC#CC ZINC001485727441 897206320 /nfs/dbraw/zinc/20/63/20/897206320.db2.gz WFGMVEPEFCGKTE-HOTGVXAUSA-N 2 1 289.423 0.982 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC#CC ZINC001485727441 897206334 /nfs/dbraw/zinc/20/63/34/897206334.db2.gz WFGMVEPEFCGKTE-HOTGVXAUSA-N 2 1 289.423 0.982 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001485802727 897255232 /nfs/dbraw/zinc/25/52/32/897255232.db2.gz BCZBENMYFOCIQP-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485827785 897469999 /nfs/dbraw/zinc/46/99/99/897469999.db2.gz REXPPMJGNQZCLV-DZGCQCFKSA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174452 898282552 /nfs/dbraw/zinc/28/25/52/898282552.db2.gz LUCPXCIYGUMVNH-MGPQQGTHSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078174452 898282522 /nfs/dbraw/zinc/28/25/22/898282522.db2.gz LUCPXCIYGUMVNH-MGPQQGTHSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174452 898282537 /nfs/dbraw/zinc/28/25/37/898282537.db2.gz LUCPXCIYGUMVNH-MGPQQGTHSA-N 2 1 281.400 0.066 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC=C)CC1 ZINC001032801678 898380047 /nfs/dbraw/zinc/38/00/47/898380047.db2.gz JYPKIGNZNGWFIA-HOTGVXAUSA-N 2 1 287.407 0.803 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC=C)CC1 ZINC001032801678 898380056 /nfs/dbraw/zinc/38/00/56/898380056.db2.gz JYPKIGNZNGWFIA-HOTGVXAUSA-N 2 1 287.407 0.803 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCC1 ZINC001326927629 914277707 /nfs/dbraw/zinc/27/77/07/914277707.db2.gz FTMPTOGQWKIXRL-CQSZACIVSA-N 2 1 295.427 0.912 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCC1 ZINC001326927629 914277722 /nfs/dbraw/zinc/27/77/22/914277722.db2.gz FTMPTOGQWKIXRL-CQSZACIVSA-N 2 1 295.427 0.912 20 30 CCEDMP CC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001486239954 898723724 /nfs/dbraw/zinc/72/37/24/898723724.db2.gz HNRXBEYTEDVOGA-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390202 900012731 /nfs/dbraw/zinc/01/27/31/900012731.db2.gz PBTKPHQBTWBEGL-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189390202 900012745 /nfs/dbraw/zinc/01/27/45/900012745.db2.gz PBTKPHQBTWBEGL-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189390202 900012762 /nfs/dbraw/zinc/01/27/62/900012762.db2.gz PBTKPHQBTWBEGL-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001490820014 902021710 /nfs/dbraw/zinc/02/17/10/902021710.db2.gz PFRFDARXCSLMIR-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001490820014 902021722 /nfs/dbraw/zinc/02/17/22/902021722.db2.gz PFRFDARXCSLMIR-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001327404217 902153058 /nfs/dbraw/zinc/15/30/58/902153058.db2.gz FHTOYMMLGKBHOS-CQSZACIVSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001327670497 914695647 /nfs/dbraw/zinc/69/56/47/914695647.db2.gz WIRKDVPRWVSDSG-CQSZACIVSA-N 2 1 293.411 0.216 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001491070700 903333442 /nfs/dbraw/zinc/33/34/42/903333442.db2.gz XGWHQFCBHGKXLK-MCIONIFRSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001282205305 904430589 /nfs/dbraw/zinc/43/05/89/904430589.db2.gz DZSWTWSSPAWNLM-QWHCGFSZSA-N 2 1 297.362 0.997 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001282449336 904478294 /nfs/dbraw/zinc/47/82/94/904478294.db2.gz KAFJLHVOUOUFEQ-ZDUSSCGKSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001282498555 904494320 /nfs/dbraw/zinc/49/43/20/904494320.db2.gz YTMNQIARBDLHDM-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001282498555 904494326 /nfs/dbraw/zinc/49/43/26/904494326.db2.gz YTMNQIARBDLHDM-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001282498555 904494330 /nfs/dbraw/zinc/49/43/30/904494330.db2.gz YTMNQIARBDLHDM-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001282498555 904494332 /nfs/dbraw/zinc/49/43/32/904494332.db2.gz YTMNQIARBDLHDM-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NCCOCC[N@H+](C)CC ZINC001283377142 904832335 /nfs/dbraw/zinc/83/23/35/904832335.db2.gz IRSLQVKDSUCLFT-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCOCC[N@@H+](C)CC ZINC001283377142 904832350 /nfs/dbraw/zinc/83/23/50/904832350.db2.gz IRSLQVKDSUCLFT-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCOCC[N@H+](C)CC ZINC001283377142 904832367 /nfs/dbraw/zinc/83/23/67/904832367.db2.gz IRSLQVKDSUCLFT-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCOCC[NH+](C)CC ZINC001283377142 904832383 /nfs/dbraw/zinc/83/23/83/904832383.db2.gz IRSLQVKDSUCLFT-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCOCC[NH+](C)CC ZINC001283377142 904832399 /nfs/dbraw/zinc/83/23/99/904832399.db2.gz IRSLQVKDSUCLFT-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283556058 904908019 /nfs/dbraw/zinc/90/80/19/904908019.db2.gz KDGMGDCCOMJGCN-HUUCEWRRSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001327926824 914867483 /nfs/dbraw/zinc/86/74/83/914867483.db2.gz UIIUAGVRSAMLRZ-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001284016190 905118441 /nfs/dbraw/zinc/11/84/41/905118441.db2.gz XHJVDMRXSVZRJI-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001284501416 905336352 /nfs/dbraw/zinc/33/63/52/905336352.db2.gz DHKLDKRTHGIZFV-LSDHHAIUSA-N 2 1 295.427 0.245 20 30 CCEDMP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001492026948 907695615 /nfs/dbraw/zinc/69/56/15/907695615.db2.gz FRIBHDATCIGABL-MGPQQGTHSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001317536033 908630826 /nfs/dbraw/zinc/63/08/26/908630826.db2.gz MBGLWAXJBDYZJQ-CQSZACIVSA-N 2 1 274.368 0.653 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001317536033 908630839 /nfs/dbraw/zinc/63/08/39/908630839.db2.gz MBGLWAXJBDYZJQ-CQSZACIVSA-N 2 1 274.368 0.653 20 30 CCEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001317343489 909150752 /nfs/dbraw/zinc/15/07/52/909150752.db2.gz LLFOXTMACRGBGC-UONOGXRCSA-N 2 1 265.401 0.952 20 30 CCEDMP CC#CC[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001317471445 909248293 /nfs/dbraw/zinc/24/82/93/909248293.db2.gz IYCZKERSAVEONE-UHFFFAOYSA-N 2 1 265.401 0.934 20 30 CCEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001317861875 909527138 /nfs/dbraw/zinc/52/71/38/909527138.db2.gz FHHBSFDGUNLXNR-CABCVRRESA-N 2 1 295.427 0.673 20 30 CCEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001317861875 909527156 /nfs/dbraw/zinc/52/71/56/909527156.db2.gz FHHBSFDGUNLXNR-CABCVRRESA-N 2 1 295.427 0.673 20 30 CCEDMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001317861875 909527168 /nfs/dbraw/zinc/52/71/68/909527168.db2.gz FHHBSFDGUNLXNR-CABCVRRESA-N 2 1 295.427 0.673 20 30 CCEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001317861875 909527182 /nfs/dbraw/zinc/52/71/82/909527182.db2.gz FHHBSFDGUNLXNR-CABCVRRESA-N 2 1 295.427 0.673 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001319198381 910035173 /nfs/dbraw/zinc/03/51/73/910035173.db2.gz VAJHJJOJUILBJC-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001319268731 910064437 /nfs/dbraw/zinc/06/44/37/910064437.db2.gz FBZUQUYINBSOMI-GJZGRUSLSA-N 2 1 295.427 0.320 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001320073192 910449088 /nfs/dbraw/zinc/44/90/88/910449088.db2.gz UMKTUDLKWXYFEE-CYBMUJFWSA-N 2 1 253.390 0.740 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320216436 910529423 /nfs/dbraw/zinc/52/94/23/910529423.db2.gz KKQYVDIGXSMKNO-KGLIPLIRSA-N 2 1 283.416 0.502 20 30 CCEDMP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001320421581 910670867 /nfs/dbraw/zinc/67/08/67/910670867.db2.gz LUOBPVKEUMYCJY-RRFJBIMHSA-N 2 1 295.427 0.461 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC ZINC001320450709 910681987 /nfs/dbraw/zinc/68/19/87/910681987.db2.gz RGEBAZKKXMLQKJ-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC ZINC001320450709 910682001 /nfs/dbraw/zinc/68/20/01/910682001.db2.gz RGEBAZKKXMLQKJ-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP CC#CC[NH2+]CCN(CC)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001320839368 910896634 /nfs/dbraw/zinc/89/66/34/910896634.db2.gz AXAXWPDSPDGLHR-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001322793903 911958616 /nfs/dbraw/zinc/95/86/16/911958616.db2.gz XUELKRGBUBSBEM-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001392595867 911973843 /nfs/dbraw/zinc/97/38/43/911973843.db2.gz BMAZMVSOVNOGPP-LBPRGKRZSA-N 2 1 289.807 0.556 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC#C ZINC001328734476 915399347 /nfs/dbraw/zinc/39/93/47/915399347.db2.gz WUPAPQARVNURCG-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001328734476 915399366 /nfs/dbraw/zinc/39/93/66/915399366.db2.gz WUPAPQARVNURCG-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001328734476 915399386 /nfs/dbraw/zinc/39/93/86/915399386.db2.gz WUPAPQARVNURCG-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001328734476 915399423 /nfs/dbraw/zinc/39/94/23/915399423.db2.gz WUPAPQARVNURCG-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001332528996 918255089 /nfs/dbraw/zinc/25/50/89/918255089.db2.gz LAMIGGDGARUJEO-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001332528998 918255139 /nfs/dbraw/zinc/25/51/39/918255139.db2.gz LAMIGGDGARUJEO-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001406249608 919137791 /nfs/dbraw/zinc/13/77/91/919137791.db2.gz ULQFBJYRPOLYNQ-NWDGAFQWSA-N 2 1 289.807 0.290 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC001335443008 920196990 /nfs/dbraw/zinc/19/69/90/920196990.db2.gz FAOFHULUKSSJJN-ZFWWWQNUSA-N 2 1 292.427 0.982 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C1CCN(c2[nH+]ccn2C)CC1 ZINC001336032433 920572830 /nfs/dbraw/zinc/57/28/30/920572830.db2.gz DHNNJRUTKLQTFA-UHFFFAOYSA-N 2 1 289.383 0.118 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC001340804934 922226887 /nfs/dbraw/zinc/22/68/87/922226887.db2.gz RDJFSPDLNDFFAF-ZDUSSCGKSA-N 2 1 251.374 0.977 20 30 CCEDMP C#CC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001340882347 922258596 /nfs/dbraw/zinc/25/85/96/922258596.db2.gz XTKFRZZCIPELFC-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001346453540 924221132 /nfs/dbraw/zinc/22/11/32/924221132.db2.gz LCNWOBGNDVLKNF-LBPRGKRZSA-N 2 1 266.389 0.320 20 30 CCEDMP C=CC[C@@]1(C(=O)N2CCN(C)CC[N@@H+](C)CC2)CCC[NH2+]1 ZINC001358444426 926699106 /nfs/dbraw/zinc/69/91/06/926699106.db2.gz KQXNUMKWDIIIBT-INIZCTEOSA-N 2 1 294.443 0.391 20 30 CCEDMP C=CC[C@@]1(C(=O)N2CCN(C)CC[N@H+](C)CC2)CCC[NH2+]1 ZINC001358444426 926699111 /nfs/dbraw/zinc/69/91/11/926699111.db2.gz KQXNUMKWDIIIBT-INIZCTEOSA-N 2 1 294.443 0.391 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H](CC)[NH+](C)C ZINC001423267798 927777233 /nfs/dbraw/zinc/77/72/33/927777233.db2.gz ULGPBWSPIABARH-QWRGUYRKSA-N 2 1 277.796 0.146 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000600739846 362051836 /nfs/dbraw/zinc/05/18/36/362051836.db2.gz UREZIWSISLUGSH-UONOGXRCSA-N 2 1 281.400 0.478 20 30 CCEDMP N#Cc1cccnc1-n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000600976703 362111369 /nfs/dbraw/zinc/11/13/69/362111369.db2.gz TUHQLXPFDOWMLS-UHFFFAOYSA-N 2 1 297.366 0.500 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602538864 362667765 /nfs/dbraw/zinc/66/77/65/362667765.db2.gz CXDLLQJZSDZFNB-UHFFFAOYSA-N 2 1 287.367 0.207 20 30 CCEDMP CCNC(NCCN1CCC[N@@H+](C)CC1)=[NH+]CC ZINC000066245658 348738537 /nfs/dbraw/zinc/73/85/37/348738537.db2.gz BEINXKUGEFEGHQ-UHFFFAOYSA-N 2 1 255.410 0.199 20 30 CCEDMP C[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693717 351455161 /nfs/dbraw/zinc/45/51/61/351455161.db2.gz VMZDJRFDGUISNI-OLZOCXBDSA-N 2 1 278.400 0.869 20 30 CCEDMP C[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693717 351455163 /nfs/dbraw/zinc/45/51/63/351455163.db2.gz VMZDJRFDGUISNI-OLZOCXBDSA-N 2 1 278.400 0.869 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000570345739 358849453 /nfs/dbraw/zinc/84/94/53/358849453.db2.gz UPWUJWDZRIZUFH-ZIAGYGMSSA-N 2 1 270.336 0.302 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000570345739 358849461 /nfs/dbraw/zinc/84/94/61/358849461.db2.gz UPWUJWDZRIZUFH-ZIAGYGMSSA-N 2 1 270.336 0.302 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000591726613 359648286 /nfs/dbraw/zinc/64/82/86/359648286.db2.gz WDLKNHBZXUYWJP-RBSFLKMASA-N 2 1 280.416 0.409 20 30 CCEDMP C[C@@H](C#N)CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000596549726 360919255 /nfs/dbraw/zinc/91/92/55/360919255.db2.gz JZAFTUCBNURFTG-STQMWFEESA-N 2 1 283.420 0.717 20 30 CCEDMP C[C@@H](C#N)CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596549726 360919257 /nfs/dbraw/zinc/91/92/57/360919257.db2.gz JZAFTUCBNURFTG-STQMWFEESA-N 2 1 283.420 0.717 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000635532076 372593947 /nfs/dbraw/zinc/59/39/47/372593947.db2.gz YXHRIHINPRRSBR-GJZGRUSLSA-N 2 1 293.411 0.616 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000635532070 372594836 /nfs/dbraw/zinc/59/48/36/372594836.db2.gz YXHRIHINPRRSBR-CABCVRRESA-N 2 1 293.411 0.616 20 30 CCEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639760115 375983288 /nfs/dbraw/zinc/98/32/88/375983288.db2.gz BWVOIKVOFBTRJF-KBPBESRZSA-N 2 1 256.390 0.702 20 30 CCEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639760115 375983292 /nfs/dbraw/zinc/98/32/92/375983292.db2.gz BWVOIKVOFBTRJF-KBPBESRZSA-N 2 1 256.390 0.702 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000491405279 390113022 /nfs/dbraw/zinc/11/30/22/390113022.db2.gz HWQZRFDPOXJFMZ-OAHLLOKOSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000491405279 390113023 /nfs/dbraw/zinc/11/30/23/390113023.db2.gz HWQZRFDPOXJFMZ-OAHLLOKOSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000491405279 390113024 /nfs/dbraw/zinc/11/30/24/390113024.db2.gz HWQZRFDPOXJFMZ-OAHLLOKOSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CC1([NH+](C)C)CCCC1 ZINC000491483338 390113899 /nfs/dbraw/zinc/11/38/99/390113899.db2.gz BDJNPLZBEIJSQZ-UHFFFAOYSA-N 2 1 251.374 0.590 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000519641238 390522631 /nfs/dbraw/zinc/52/26/31/390522631.db2.gz RSBHJBYEZMHDND-HNNXBMFYSA-N 2 1 278.400 0.874 20 30 CCEDMP C=CC[C@@]1(C(=O)NCC[NH+]2CCSCC2)CCC[NH2+]1 ZINC000662681393 414740458 /nfs/dbraw/zinc/74/04/58/414740458.db2.gz GMKJQPSBLORQGB-AWEZNQCLSA-N 2 1 283.441 0.850 20 30 CCEDMP C=CC[C@@]1(C(=O)N[C@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000662691402 414741669 /nfs/dbraw/zinc/74/16/69/414741669.db2.gz HYZZGZLGZAQNMW-JSGCOSHPSA-N 2 1 251.374 0.895 20 30 CCEDMP C=CC[C@@]1(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)CCC[NH2+]1 ZINC000662782555 414788411 /nfs/dbraw/zinc/78/84/11/414788411.db2.gz DDHYTOJLDXXCMJ-KGLIPLIRSA-N 2 1 269.364 0.845 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000313013183 260234276 /nfs/dbraw/zinc/23/42/76/260234276.db2.gz OLHBNPPERNSQJZ-HNNXBMFYSA-N 2 1 278.400 0.776 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000313013183 260234278 /nfs/dbraw/zinc/23/42/78/260234278.db2.gz OLHBNPPERNSQJZ-HNNXBMFYSA-N 2 1 278.400 0.776 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000313013183 260234280 /nfs/dbraw/zinc/23/42/80/260234280.db2.gz OLHBNPPERNSQJZ-HNNXBMFYSA-N 2 1 278.400 0.776 20 30 CCEDMP COC[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](COC)C2)C1 ZINC000341890571 263363868 /nfs/dbraw/zinc/36/38/68/263363868.db2.gz ALSZREPJQQMIQO-HZPDHXFCSA-N 2 1 280.412 0.926 20 30 CCEDMP C[C@@]1(O)CCC[N@@H+](CC#CC[NH+]2CCC[C@](C)(O)C2)C1 ZINC000341904084 263364745 /nfs/dbraw/zinc/36/47/45/263364745.db2.gz DCYQEISKFVUSRB-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP C[C@@]1(O)CCC[NH+](CC#CC[N@@H+]2CCC[C@](C)(O)C2)C1 ZINC000341904084 263364746 /nfs/dbraw/zinc/36/47/46/263364746.db2.gz DCYQEISKFVUSRB-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP C[C@@]1(O)CCC[NH+](CC#CC[N@H+]2CCC[C@](C)(O)C2)C1 ZINC000341904084 263364748 /nfs/dbraw/zinc/36/47/48/263364748.db2.gz DCYQEISKFVUSRB-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP CNC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190528173 264393967 /nfs/dbraw/zinc/39/39/67/264393967.db2.gz BPZBXTDDUPWCGF-CQSZACIVSA-N 2 1 276.384 0.812 20 30 CCEDMP CC[N@@H+](CCNC(=[NH2+])N1CCO[C@@H](C)C1)C1CC1 ZINC000262448374 330013733 /nfs/dbraw/zinc/01/37/33/330013733.db2.gz JGGGJEBBFYXUQO-NSHDSACASA-N 2 1 254.378 0.506 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCn2ccnc2C1 ZINC000262471192 330015655 /nfs/dbraw/zinc/01/56/55/330015655.db2.gz OGSRZZJPPRMMTA-CHWSQXEVSA-N 2 1 290.415 0.587 20 30 CCEDMP CC(C)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424138748 330276791 /nfs/dbraw/zinc/27/67/91/330276791.db2.gz USYBJSQWZWHGPF-KGLIPLIRSA-N 2 1 296.415 0.481 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424143035 330286615 /nfs/dbraw/zinc/28/66/15/330286615.db2.gz VUKNOKNGRVHHNZ-UONOGXRCSA-N 2 1 296.415 0.481 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000424155217 330302034 /nfs/dbraw/zinc/30/20/34/330302034.db2.gz MNGHTOGMTXZAHW-CMPLNLGQSA-N 2 1 250.346 0.360 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000424155220 330302042 /nfs/dbraw/zinc/30/20/42/330302042.db2.gz MNGHTOGMTXZAHW-ZYHUDNBSSA-N 2 1 250.346 0.360 20 30 CCEDMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424167838 330309930 /nfs/dbraw/zinc/30/99/30/330309930.db2.gz FBHWJAHXSBBTIG-MJBXVCDLSA-N 2 1 296.415 0.575 20 30 CCEDMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424167838 330309931 /nfs/dbraw/zinc/30/99/31/330309931.db2.gz FBHWJAHXSBBTIG-MJBXVCDLSA-N 2 1 296.415 0.575 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000490655431 332100311 /nfs/dbraw/zinc/10/03/11/332100311.db2.gz AIYJBHZENFSHHP-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)CC1 ZINC000490912864 332128077 /nfs/dbraw/zinc/12/80/77/332128077.db2.gz BCQVVWJKKTXEMG-ZIAGYGMSSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491069782 332145620 /nfs/dbraw/zinc/14/56/20/332145620.db2.gz YASBMNAPZDYCGK-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000491069782 332145621 /nfs/dbraw/zinc/14/56/21/332145621.db2.gz YASBMNAPZDYCGK-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCNC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000491069782 332145622 /nfs/dbraw/zinc/14/56/22/332145622.db2.gz YASBMNAPZDYCGK-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000491069782 332145624 /nfs/dbraw/zinc/14/56/24/332145624.db2.gz YASBMNAPZDYCGK-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000491619845 332245555 /nfs/dbraw/zinc/24/55/55/332245555.db2.gz DXWSDRMHDYPTIM-CQSZACIVSA-N 2 1 280.416 0.535 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000491703729 332297551 /nfs/dbraw/zinc/29/75/51/332297551.db2.gz ZMFYIBMHHFHZLD-OAHLLOKOSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H]1C(C)C ZINC000491703729 332297552 /nfs/dbraw/zinc/29/75/52/332297552.db2.gz ZMFYIBMHHFHZLD-OAHLLOKOSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H]1C(C)C ZINC000491703729 332297554 /nfs/dbraw/zinc/29/75/54/332297554.db2.gz ZMFYIBMHHFHZLD-OAHLLOKOSA-N 2 1 294.443 0.923 20 30 CCEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC000249389933 334333102 /nfs/dbraw/zinc/33/31/02/334333102.db2.gz RSOLMCPRDCKJMS-UONOGXRCSA-N 2 1 296.415 0.353 20 30 CCEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC000249389933 334333103 /nfs/dbraw/zinc/33/31/03/334333103.db2.gz RSOLMCPRDCKJMS-UONOGXRCSA-N 2 1 296.415 0.353 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H](C)COC)CC1 ZINC000581483892 336087160 /nfs/dbraw/zinc/08/71/60/336087160.db2.gz LPWPAOJFEVRNGZ-ZFWWWQNUSA-N 2 1 286.416 0.639 20 30 CCEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=[NH2+])N(C)C1CC1 ZINC000305818868 649880457 /nfs/dbraw/zinc/88/04/57/649880457.db2.gz NQOBBAMWPXBHAP-ZDUSSCGKSA-N 2 1 295.431 0.338 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000787304523 581466769 /nfs/dbraw/zinc/46/67/69/581466769.db2.gz OUWIUQFKGSDEHA-CABCVRRESA-N 2 1 295.427 0.462 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000787304523 581466771 /nfs/dbraw/zinc/46/67/71/581466771.db2.gz OUWIUQFKGSDEHA-CABCVRRESA-N 2 1 295.427 0.462 20 30 CCEDMP C#CCNC(=O)C[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000759767663 581820681 /nfs/dbraw/zinc/82/06/81/581820681.db2.gz PHSHMFGALIEDBG-UHFFFAOYSA-N 2 1 276.384 0.907 20 30 CCEDMP C#CCNC(=O)C[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000759767663 581820685 /nfs/dbraw/zinc/82/06/85/581820685.db2.gz PHSHMFGALIEDBG-UHFFFAOYSA-N 2 1 276.384 0.907 20 30 CCEDMP C#CCOCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852762733 612984127 /nfs/dbraw/zinc/98/41/27/612984127.db2.gz UWSUFAAMJUJNOS-CQSZACIVSA-N 2 1 254.374 0.679 20 30 CCEDMP C#CCOCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852762733 612984129 /nfs/dbraw/zinc/98/41/29/612984129.db2.gz UWSUFAAMJUJNOS-CQSZACIVSA-N 2 1 254.374 0.679 20 30 CCEDMP C#CCC1([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)CCOCC1 ZINC000887122214 612970807 /nfs/dbraw/zinc/97/08/07/612970807.db2.gz ONKOXNOSDVESGK-CQSZACIVSA-N 2 1 284.400 0.088 20 30 CCEDMP C#CCC1([NH2+]C[C@@H](O)C[N@H+](C)CCOC)CCOCC1 ZINC000887122214 612970809 /nfs/dbraw/zinc/97/08/09/612970809.db2.gz ONKOXNOSDVESGK-CQSZACIVSA-N 2 1 284.400 0.088 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944919026 613017252 /nfs/dbraw/zinc/01/72/52/613017252.db2.gz MEDNIRPXSDMPPP-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC#C)[C@@H]2C1 ZINC000978284805 613041455 /nfs/dbraw/zinc/04/14/55/613041455.db2.gz SZXRDFNQRUEGPE-NXOAAHMSSA-N 2 1 299.418 0.401 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC#C)[C@@H]2C1 ZINC000978284805 613041456 /nfs/dbraw/zinc/04/14/56/613041456.db2.gz SZXRDFNQRUEGPE-NXOAAHMSSA-N 2 1 299.418 0.401 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CC#C)[C@@H]2C1 ZINC000978284805 613041457 /nfs/dbraw/zinc/04/14/57/613041457.db2.gz SZXRDFNQRUEGPE-NXOAAHMSSA-N 2 1 299.418 0.401 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3CC#C)[C@@H]2C1 ZINC000978284805 613041458 /nfs/dbraw/zinc/04/14/58/613041458.db2.gz SZXRDFNQRUEGPE-NXOAAHMSSA-N 2 1 299.418 0.401 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000959846658 613043567 /nfs/dbraw/zinc/04/35/67/613043567.db2.gz GHXLWDAYRYMUGQ-XUWVNRHRSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000959846658 613043569 /nfs/dbraw/zinc/04/35/69/613043569.db2.gz GHXLWDAYRYMUGQ-XUWVNRHRSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000959846658 613043571 /nfs/dbraw/zinc/04/35/71/613043571.db2.gz GHXLWDAYRYMUGQ-XUWVNRHRSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960278224 613043782 /nfs/dbraw/zinc/04/37/82/613043782.db2.gz GMOQEYAPIXZYHT-KNCOVGOOSA-N 2 1 298.390 0.830 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960278224 613043783 /nfs/dbraw/zinc/04/37/83/613043783.db2.gz GMOQEYAPIXZYHT-KNCOVGOOSA-N 2 1 298.390 0.830 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000858494043 613075481 /nfs/dbraw/zinc/07/54/81/613075481.db2.gz LSYJEEMEXHVHFF-HNNXBMFYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000820688608 613077920 /nfs/dbraw/zinc/07/79/20/613077920.db2.gz UWUNXELCGAUJLX-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000820688608 613077921 /nfs/dbraw/zinc/07/79/21/613077921.db2.gz UWUNXELCGAUJLX-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000820688608 613077922 /nfs/dbraw/zinc/07/79/22/613077922.db2.gz UWUNXELCGAUJLX-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972484615 613080297 /nfs/dbraw/zinc/08/02/97/613080297.db2.gz FDQGRACAWQRHSM-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000969677034 613117930 /nfs/dbraw/zinc/11/79/30/613117930.db2.gz MABNEAPKZWMQNF-DOMZBBRYSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970047966 613122826 /nfs/dbraw/zinc/12/28/26/613122826.db2.gz RGWYJWZJNWLMFB-ZDUSSCGKSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000928654552 613132929 /nfs/dbraw/zinc/13/29/29/613132929.db2.gz HFAOMTYLKCBTBG-AWEZNQCLSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2CC)CC1 ZINC000924022480 613134273 /nfs/dbraw/zinc/13/42/73/613134273.db2.gz RQWCRSFMWJDKRU-CQSZACIVSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000920404209 613134781 /nfs/dbraw/zinc/13/47/81/613134781.db2.gz LUIMWIQILWSFCK-UKRRQHHQSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](CC)C[C@@H]2C)CC1 ZINC000921406330 613134795 /nfs/dbraw/zinc/13/47/95/613134795.db2.gz HDGYSSOMXYZQGT-DZGCQCFKSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000969144369 613145967 /nfs/dbraw/zinc/14/59/67/613145967.db2.gz KMVXCOIAJLTIQW-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000863564393 613150624 /nfs/dbraw/zinc/15/06/24/613150624.db2.gz WKTPJHOTKYTWHC-CABCVRRESA-N 2 1 266.385 0.461 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000981953233 613152043 /nfs/dbraw/zinc/15/20/43/613152043.db2.gz JYCXDTYHYHDGLI-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000981953233 613152046 /nfs/dbraw/zinc/15/20/46/613152046.db2.gz JYCXDTYHYHDGLI-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000981953233 613152049 /nfs/dbraw/zinc/15/20/49/613152049.db2.gz JYCXDTYHYHDGLI-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000981953233 613152050 /nfs/dbraw/zinc/15/20/50/613152050.db2.gz JYCXDTYHYHDGLI-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP C#C[C@H]1CCC[N@H+](C[C@@H](O)CN(C)CCOC)C1 ZINC000847018951 613159565 /nfs/dbraw/zinc/15/95/65/613159565.db2.gz NNODILHMAWWGRL-KBPBESRZSA-N 2 1 254.374 0.271 20 30 CCEDMP C#C[C@H]1CCCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000847018951 613159566 /nfs/dbraw/zinc/15/95/66/613159566.db2.gz NNODILHMAWWGRL-KBPBESRZSA-N 2 1 254.374 0.271 20 30 CCEDMP C#C[C@H]1CCCN(C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000847018951 613159567 /nfs/dbraw/zinc/15/95/67/613159567.db2.gz NNODILHMAWWGRL-KBPBESRZSA-N 2 1 254.374 0.271 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269974 613162559 /nfs/dbraw/zinc/16/25/59/613162559.db2.gz SLQTXDUQRFOQNH-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269974 613162561 /nfs/dbraw/zinc/16/25/61/613162561.db2.gz SLQTXDUQRFOQNH-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000948269974 613162563 /nfs/dbraw/zinc/16/25/63/613162563.db2.gz SLQTXDUQRFOQNH-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269974 613162565 /nfs/dbraw/zinc/16/25/65/613162565.db2.gz SLQTXDUQRFOQNH-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000923567877 613181664 /nfs/dbraw/zinc/18/16/64/613181664.db2.gz WTESWPPKKOFQKO-UONOGXRCSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000923567877 613181666 /nfs/dbraw/zinc/18/16/66/613181666.db2.gz WTESWPPKKOFQKO-UONOGXRCSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)[C@@H]2CCSC2)C1 ZINC000923567877 613181668 /nfs/dbraw/zinc/18/16/68/613181668.db2.gz WTESWPPKKOFQKO-UONOGXRCSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)[C@@H]2CCSC2)C1 ZINC000923567877 613181671 /nfs/dbraw/zinc/18/16/71/613181671.db2.gz WTESWPPKKOFQKO-UONOGXRCSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCOC)C1 ZINC000969865043 613200478 /nfs/dbraw/zinc/20/04/78/613200478.db2.gz IBNPQOUTEQTMDL-ZFWWWQNUSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCOC)C1 ZINC000969865043 613200480 /nfs/dbraw/zinc/20/04/80/613200480.db2.gz IBNPQOUTEQTMDL-ZFWWWQNUSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975057051 613280764 /nfs/dbraw/zinc/28/07/64/613280764.db2.gz BDCAJGAKYRDSAW-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975057051 613280766 /nfs/dbraw/zinc/28/07/66/613280766.db2.gz BDCAJGAKYRDSAW-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975057051 613280767 /nfs/dbraw/zinc/28/07/67/613280767.db2.gz BDCAJGAKYRDSAW-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975057051 613280770 /nfs/dbraw/zinc/28/07/70/613280770.db2.gz BDCAJGAKYRDSAW-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(C)C[NH+]1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000952444740 613316307 /nfs/dbraw/zinc/31/63/07/613316307.db2.gz COBIZEHSZLQBJZ-UHFFFAOYSA-N 2 1 295.427 0.818 20 30 CCEDMP C#CCNC(=O)CC[NH2+][C@@H](CC)C[NH+]1CCCC1 ZINC000819079585 613327044 /nfs/dbraw/zinc/32/70/44/613327044.db2.gz VXXPYWDVYSDUML-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000970261523 613348203 /nfs/dbraw/zinc/34/82/03/613348203.db2.gz JASBCGJOBDXNJG-CQSZACIVSA-N 2 1 281.400 0.475 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000901139280 613364846 /nfs/dbraw/zinc/36/48/46/613364846.db2.gz QBQPHYYQCXRZQU-OAHLLOKOSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000876843848 613387651 /nfs/dbraw/zinc/38/76/51/613387651.db2.gz YDJITDPLFFRXNB-MNOVXSKESA-N 2 1 297.790 0.363 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000876858657 613389242 /nfs/dbraw/zinc/38/92/42/613389242.db2.gz VSLBQZUILMIEPC-ONGXEEELSA-N 2 1 263.744 0.616 20 30 CCEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969699107 613536047 /nfs/dbraw/zinc/53/60/47/613536047.db2.gz IHRPAHNYSCXESN-GZBFAFLISA-N 2 1 277.412 0.786 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374648 613556704 /nfs/dbraw/zinc/55/67/04/613556704.db2.gz NUPXANQEPBQJDW-CABCVRRESA-N 2 1 295.427 0.313 20 30 CCEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413780 613586787 /nfs/dbraw/zinc/58/67/87/613586787.db2.gz HCKWFAHNALRJOX-DGAVXFQQSA-N 2 1 295.383 0.180 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958215897 613816797 /nfs/dbraw/zinc/81/67/97/613816797.db2.gz YIGNOUXVPAPSGZ-ZIAGYGMSSA-N 2 1 293.411 0.210 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923486121 613851144 /nfs/dbraw/zinc/85/11/44/613851144.db2.gz NLOMPSABIANNFB-GHMZBOCLSA-N 2 1 268.361 0.057 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496714 613851932 /nfs/dbraw/zinc/85/19/32/613851932.db2.gz ZSMWAPODNLPZKL-GRYCIOLGSA-N 2 1 282.388 0.303 20 30 CCEDMP CCO[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C[NH+](C)C ZINC000905575163 615483949 /nfs/dbraw/zinc/48/39/49/615483949.db2.gz HCPUFJDOJLYUMB-QWHCGFSZSA-N 2 1 271.405 0.843 20 30 CCEDMP CN(C)c1[nH+]cc(CNC(=O)C#CC2CC[NH2+]CC2)n1C ZINC000852866841 616036034 /nfs/dbraw/zinc/03/60/34/616036034.db2.gz MFACGOWULCNUGK-UHFFFAOYSA-N 2 1 289.383 0.105 20 30 CCEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])NCC2CCC2)CC1 ZINC000104183195 616185751 /nfs/dbraw/zinc/18/57/51/616185751.db2.gz ZFRCJXYRAXGSQW-UHFFFAOYSA-N 2 1 281.448 0.718 20 30 CCEDMP CN1CCC[N@H+](CCCNC(=[NH2+])NCC2CCC2)CC1 ZINC000104183195 616185752 /nfs/dbraw/zinc/18/57/52/616185752.db2.gz ZFRCJXYRAXGSQW-UHFFFAOYSA-N 2 1 281.448 0.718 20 30 CCEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])NCC2CCC2)CC1 ZINC000104183195 616185753 /nfs/dbraw/zinc/18/57/53/616185753.db2.gz ZFRCJXYRAXGSQW-UHFFFAOYSA-N 2 1 281.448 0.718 20 30 CCEDMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NC3(C#N)CCC3)C[C@@H]2C1 ZINC000931438722 616332482 /nfs/dbraw/zinc/33/24/82/616332482.db2.gz YONKHMWHCHIICA-OLZOCXBDSA-N 2 1 276.384 0.432 20 30 CCEDMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NC3(C#N)CCC3)C[C@@H]2C1 ZINC000931438722 616332486 /nfs/dbraw/zinc/33/24/86/616332486.db2.gz YONKHMWHCHIICA-OLZOCXBDSA-N 2 1 276.384 0.432 20 30 CCEDMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NC3(C#N)CCC3)C[C@@H]2C1 ZINC000931438722 616332492 /nfs/dbraw/zinc/33/24/92/616332492.db2.gz YONKHMWHCHIICA-OLZOCXBDSA-N 2 1 276.384 0.432 20 30 CCEDMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NC3(C#N)CCC3)C[C@@H]2C1 ZINC000931438722 616332498 /nfs/dbraw/zinc/33/24/98/616332498.db2.gz YONKHMWHCHIICA-OLZOCXBDSA-N 2 1 276.384 0.432 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026139700 625341280 /nfs/dbraw/zinc/34/12/80/625341280.db2.gz LBBQZUOJOVUTGP-SUJAAXHWSA-N 2 1 289.423 0.786 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023291817 622985122 /nfs/dbraw/zinc/98/51/22/622985122.db2.gz KYPOYEGKLZGUHR-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023291817 622985134 /nfs/dbraw/zinc/98/51/34/622985134.db2.gz KYPOYEGKLZGUHR-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023291817 622985143 /nfs/dbraw/zinc/98/51/43/622985143.db2.gz KYPOYEGKLZGUHR-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023291817 622985153 /nfs/dbraw/zinc/98/51/53/622985153.db2.gz KYPOYEGKLZGUHR-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024441267 623324949 /nfs/dbraw/zinc/32/49/49/623324949.db2.gz CHMAPWRTLCZVQX-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP C[C@@H]1C[N@H+](CCCNC(=[NH2+])N(C)C2CC2)C[C@H](C)O1 ZINC000305828884 624822344 /nfs/dbraw/zinc/82/23/44/624822344.db2.gz SJGTUBPFNFSDRN-TXEJJXNPSA-N 2 1 268.405 0.895 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N(C)C[C@H]1CCOC1 ZINC000261739562 631563554 /nfs/dbraw/zinc/56/35/54/631563554.db2.gz ZGAWGFFHRPDTEL-CYBMUJFWSA-N 2 1 279.388 0.735 20 30 CCEDMP CC[C@](C)(O)CNC(N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261859603 631659675 /nfs/dbraw/zinc/65/96/75/631659675.db2.gz ZDJSHJBLKZDULX-LNSITVRQSA-N 2 1 282.432 0.795 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000989450806 633274045 /nfs/dbraw/zinc/27/40/45/633274045.db2.gz PYITVUJGAOMAMQ-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000989480942 633316719 /nfs/dbraw/zinc/31/67/19/633316719.db2.gz NVXHYDRGCBIWSN-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000989480942 633316729 /nfs/dbraw/zinc/31/67/29/633316729.db2.gz NVXHYDRGCBIWSN-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000989483162 633317242 /nfs/dbraw/zinc/31/72/42/633317242.db2.gz NICKZDPWYBSPRS-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000989483162 633317244 /nfs/dbraw/zinc/31/72/44/633317244.db2.gz NICKZDPWYBSPRS-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989483162 633317249 /nfs/dbraw/zinc/31/72/49/633317249.db2.gz NICKZDPWYBSPRS-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989483162 633317264 /nfs/dbraw/zinc/31/72/64/633317264.db2.gz NICKZDPWYBSPRS-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001009512137 650146508 /nfs/dbraw/zinc/14/65/08/650146508.db2.gz ASCIZBSIHIULQT-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009512137 650146509 /nfs/dbraw/zinc/14/65/09/650146509.db2.gz ASCIZBSIHIULQT-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009512137 650146511 /nfs/dbraw/zinc/14/65/11/650146511.db2.gz ASCIZBSIHIULQT-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1(C)C ZINC000995913889 638805334 /nfs/dbraw/zinc/80/53/34/638805334.db2.gz BGYJRLGYOLQREZ-GJZGRUSLSA-N 2 1 287.407 0.544 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1(C)C ZINC000995913889 638805336 /nfs/dbraw/zinc/80/53/36/638805336.db2.gz BGYJRLGYOLQREZ-GJZGRUSLSA-N 2 1 287.407 0.544 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995958642 638805938 /nfs/dbraw/zinc/80/59/38/638805938.db2.gz NPTQVLAQBVUKEQ-MGPQQGTHSA-N 2 1 293.411 0.165 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995958642 638805940 /nfs/dbraw/zinc/80/59/40/638805940.db2.gz NPTQVLAQBVUKEQ-MGPQQGTHSA-N 2 1 293.411 0.165 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997334780 638862619 /nfs/dbraw/zinc/86/26/19/638862619.db2.gz HGZXQVFNHQFGCT-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997334780 638862621 /nfs/dbraw/zinc/86/26/21/638862621.db2.gz HGZXQVFNHQFGCT-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998583024 638929026 /nfs/dbraw/zinc/92/90/26/638929026.db2.gz NFODUQCYUKBBAI-JXQTWKCFSA-N 2 1 281.400 0.472 20 30 CCEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998583024 638929022 /nfs/dbraw/zinc/92/90/22/638929022.db2.gz NFODUQCYUKBBAI-JXQTWKCFSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999295939 638972112 /nfs/dbraw/zinc/97/21/12/638972112.db2.gz MLRQITOOQHFQOD-NRXISQOPSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999295939 638972114 /nfs/dbraw/zinc/97/21/14/638972114.db2.gz MLRQITOOQHFQOD-NRXISQOPSA-N 2 1 295.427 0.861 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999498573 638983588 /nfs/dbraw/zinc/98/35/88/638983588.db2.gz WNKIBCGUTXEPLG-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999498573 638983590 /nfs/dbraw/zinc/98/35/90/638983590.db2.gz WNKIBCGUTXEPLG-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001003624072 639580604 /nfs/dbraw/zinc/58/06/04/639580604.db2.gz KXNBJUXHVUVNFA-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001004153073 639696964 /nfs/dbraw/zinc/69/69/64/639696964.db2.gz VTWVFXKIKLDERH-UHFFFAOYSA-N 2 1 274.368 0.795 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015599686 650588843 /nfs/dbraw/zinc/58/88/43/650588843.db2.gz UHULZEBTRWUANH-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015599686 650588845 /nfs/dbraw/zinc/58/88/45/650588845.db2.gz UHULZEBTRWUANH-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015599686 650588846 /nfs/dbraw/zinc/58/88/46/650588846.db2.gz UHULZEBTRWUANH-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015599686 650588848 /nfs/dbraw/zinc/58/88/48/650588848.db2.gz UHULZEBTRWUANH-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015822385 650635712 /nfs/dbraw/zinc/63/57/12/650635712.db2.gz HVHXHDZJMGSMAZ-AWEZNQCLSA-N 2 1 291.399 0.435 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001017417356 650800483 /nfs/dbraw/zinc/80/04/83/650800483.db2.gz BREBARIFJMSVKF-QLFBSQMISA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001017417356 650800487 /nfs/dbraw/zinc/80/04/87/650800487.db2.gz BREBARIFJMSVKF-QLFBSQMISA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001017417356 650800492 /nfs/dbraw/zinc/80/04/92/650800492.db2.gz BREBARIFJMSVKF-QLFBSQMISA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001017417356 650800493 /nfs/dbraw/zinc/80/04/93/650800493.db2.gz BREBARIFJMSVKF-QLFBSQMISA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001017943963 650835874 /nfs/dbraw/zinc/83/58/74/650835874.db2.gz JGHLMKTWOJGAHD-LVQVYYBASA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001017943963 650835877 /nfs/dbraw/zinc/83/58/77/650835877.db2.gz JGHLMKTWOJGAHD-LVQVYYBASA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001017943963 650835881 /nfs/dbraw/zinc/83/58/81/650835881.db2.gz JGHLMKTWOJGAHD-LVQVYYBASA-N 2 1 289.423 0.883 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000852862973 644030165 /nfs/dbraw/zinc/03/01/65/644030165.db2.gz NZJAHFCDEDOADU-ZDUSSCGKSA-N 2 1 261.369 0.342 20 30 CCEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)NC1CC1 ZINC000303409404 649819145 /nfs/dbraw/zinc/81/91/45/649819145.db2.gz VEKJJTLSXVRUEY-CYBMUJFWSA-N 2 1 268.405 0.671 20 30 CCEDMP CC[C@@H](C)NC(=O)CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303892398 649826402 /nfs/dbraw/zinc/82/64/02/649826402.db2.gz REBOARGNQJKSRQ-OLZOCXBDSA-N 2 1 297.447 0.680 20 30 CCEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH+]=C(N(C)C)N(C)C ZINC000303975202 649827617 /nfs/dbraw/zinc/82/76/17/649827617.db2.gz IUPIKSVVRRRFDW-CYBMUJFWSA-N 2 1 297.447 0.408 20 30 CCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCC1 ZINC000303985529 649828046 /nfs/dbraw/zinc/82/80/46/649828046.db2.gz SYCBGRCYGFJNNS-CYBMUJFWSA-N 2 1 268.405 0.802 20 30 CCEDMP CC[C@H](C(=O)NCC[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001266288589 790421082 /nfs/dbraw/zinc/42/10/82/790421082.db2.gz JVVWGXMKWXGHQD-CYBMUJFWSA-N 2 1 269.389 0.024 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001266349494 790563218 /nfs/dbraw/zinc/56/32/18/790563218.db2.gz HSJRKMKZFHSPII-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266349494 790563226 /nfs/dbraw/zinc/56/32/26/790563226.db2.gz HSJRKMKZFHSPII-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266349494 790563235 /nfs/dbraw/zinc/56/32/35/790563235.db2.gz HSJRKMKZFHSPII-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001266349493 790563518 /nfs/dbraw/zinc/56/35/18/790563518.db2.gz HSJRKMKZFHSPII-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266349493 790563520 /nfs/dbraw/zinc/56/35/20/790563520.db2.gz HSJRKMKZFHSPII-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266349493 790563525 /nfs/dbraw/zinc/56/35/25/790563525.db2.gz HSJRKMKZFHSPII-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266396987 790633050 /nfs/dbraw/zinc/63/30/50/790633050.db2.gz QAPUSTMZOOASGZ-UHFFFAOYSA-N 2 1 277.412 0.934 20 30 CCEDMP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266815475 791259532 /nfs/dbraw/zinc/25/95/32/791259532.db2.gz UWWIZEDJCAYJSD-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210492963 790894264 /nfs/dbraw/zinc/89/42/64/790894264.db2.gz GKIWSGHRQWLUHO-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041833613 791106470 /nfs/dbraw/zinc/10/64/70/791106470.db2.gz RDHQFAXYARHOJC-MRXNPFEDSA-N 2 1 286.379 0.749 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041833613 791106478 /nfs/dbraw/zinc/10/64/78/791106478.db2.gz RDHQFAXYARHOJC-MRXNPFEDSA-N 2 1 286.379 0.749 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001266725596 791191034 /nfs/dbraw/zinc/19/10/34/791191034.db2.gz MVOMVGVGOIUUEW-OKILXGFUSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167471277 791221230 /nfs/dbraw/zinc/22/12/30/791221230.db2.gz DHDQGEBANSVVKC-UHFFFAOYSA-N 2 1 262.357 0.736 20 30 CCEDMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001266992443 791427235 /nfs/dbraw/zinc/42/72/35/791427235.db2.gz BLRBNSFKUXGYCK-QWHCGFSZSA-N 2 1 253.390 0.999 20 30 CCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083247880 791617547 /nfs/dbraw/zinc/61/75/47/791617547.db2.gz ICMDKSLEXXWFIS-QLFBSQMISA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083247880 791617549 /nfs/dbraw/zinc/61/75/49/791617549.db2.gz ICMDKSLEXXWFIS-QLFBSQMISA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247880 791617551 /nfs/dbraw/zinc/61/75/51/791617551.db2.gz ICMDKSLEXXWFIS-QLFBSQMISA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247880 791617553 /nfs/dbraw/zinc/61/75/53/791617553.db2.gz ICMDKSLEXXWFIS-QLFBSQMISA-N 2 1 293.411 0.426 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001267205473 791672367 /nfs/dbraw/zinc/67/23/67/791672367.db2.gz LPSSVFRDSJRYLM-UHFFFAOYSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267215996 791685911 /nfs/dbraw/zinc/68/59/11/791685911.db2.gz KBUCNIXRXOVSMP-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038141419 791704218 /nfs/dbraw/zinc/70/42/18/791704218.db2.gz KZNRQNVWLTYIHW-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038141419 791704223 /nfs/dbraw/zinc/70/42/23/791704223.db2.gz KZNRQNVWLTYIHW-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038141419 791704228 /nfs/dbraw/zinc/70/42/28/791704228.db2.gz KZNRQNVWLTYIHW-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038141419 791704239 /nfs/dbraw/zinc/70/42/39/791704239.db2.gz KZNRQNVWLTYIHW-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267242080 793230943 /nfs/dbraw/zinc/23/09/43/793230943.db2.gz VRRMNIMTGJLYRK-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267249691 793242608 /nfs/dbraw/zinc/24/26/08/793242608.db2.gz SOMHOGKOGITOHI-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267249691 793242610 /nfs/dbraw/zinc/24/26/10/793242610.db2.gz SOMHOGKOGITOHI-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235354671 806412301 /nfs/dbraw/zinc/41/23/01/806412301.db2.gz MXLNCRFKRIFZSP-HUUCEWRRSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235354671 806412304 /nfs/dbraw/zinc/41/23/04/806412304.db2.gz MXLNCRFKRIFZSP-HUUCEWRRSA-N 2 1 277.412 0.883 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)NCCCCC[NH+]1CCNCC1 ZINC001122277534 799185462 /nfs/dbraw/zinc/18/54/62/799185462.db2.gz MDHICXBSZLPAQV-AWEZNQCLSA-N 2 1 295.431 0.199 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150587134 800349610 /nfs/dbraw/zinc/34/96/10/800349610.db2.gz FCWOOSZAEQSBBP-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150587134 800349616 /nfs/dbraw/zinc/34/96/16/800349616.db2.gz FCWOOSZAEQSBBP-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150587134 800349622 /nfs/dbraw/zinc/34/96/22/800349622.db2.gz FCWOOSZAEQSBBP-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP N#Cc1cncc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155373270 800961766 /nfs/dbraw/zinc/96/17/66/800961766.db2.gz PNYJHAXHCAZJHV-ZDUSSCGKSA-N 2 1 272.356 0.208 20 30 CCEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155856853 801067535 /nfs/dbraw/zinc/06/75/35/801067535.db2.gz PGWWOHBKYHCVRQ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155856853 801067539 /nfs/dbraw/zinc/06/75/39/801067539.db2.gz PGWWOHBKYHCVRQ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156126058 801114730 /nfs/dbraw/zinc/11/47/30/801114730.db2.gz RJNJLRGEZOBZPT-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156126058 801114735 /nfs/dbraw/zinc/11/47/35/801114735.db2.gz RJNJLRGEZOBZPT-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157887140 801510659 /nfs/dbraw/zinc/51/06/59/801510659.db2.gz RGYBXGUTUWNFFC-CQSZACIVSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@@H](C)F ZINC001160209614 801920854 /nfs/dbraw/zinc/92/08/54/801920854.db2.gz SHLKDBMWTYCYEL-KGLIPLIRSA-N 2 1 283.391 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@@H](C)F ZINC001160209614 801920859 /nfs/dbraw/zinc/92/08/59/801920859.db2.gz SHLKDBMWTYCYEL-KGLIPLIRSA-N 2 1 283.391 0.928 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160267583 801924146 /nfs/dbraw/zinc/92/41/46/801924146.db2.gz OGKPODHVGDKFMB-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160274496 801925845 /nfs/dbraw/zinc/92/58/45/801925845.db2.gz UMRJYOUCQZJPLX-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP N#Cc1cccnc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160508440 801953811 /nfs/dbraw/zinc/95/38/11/801953811.db2.gz GQQYNKJMEGOTNV-CQSZACIVSA-N 2 1 257.341 0.788 20 30 CCEDMP N#C[C@@H]1CCCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160637349 801984485 /nfs/dbraw/zinc/98/44/85/801984485.db2.gz LXQANNVSIIUWIT-LBPRGKRZSA-N 2 1 250.346 0.233 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001162663337 802384406 /nfs/dbraw/zinc/38/44/06/802384406.db2.gz RAMZBJHIUFABAU-UHFFFAOYSA-N 2 1 274.368 0.491 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872278 802432024 /nfs/dbraw/zinc/43/20/24/802432024.db2.gz MQGOPYDOGBAPPN-BBBYJDLNSA-N 2 1 293.411 0.522 20 30 CCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163819865 802618963 /nfs/dbraw/zinc/61/89/63/802618963.db2.gz BDRCUSBOFSGKMQ-CQSZACIVSA-N 2 1 277.412 0.980 20 30 CCEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001203815049 803046436 /nfs/dbraw/zinc/04/64/36/803046436.db2.gz KFONYGZJINDIKS-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203815049 803046439 /nfs/dbraw/zinc/04/64/39/803046439.db2.gz KFONYGZJINDIKS-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001276439937 803063869 /nfs/dbraw/zinc/06/38/69/803063869.db2.gz NAKHNTAJIMFNSY-CQSZACIVSA-N 2 1 295.427 0.721 20 30 CCEDMP N#Cc1ccc2nc(C[N@@H+]3CCC[C@](O)(C[NH3+])CC3)cn2c1 ZINC001205248659 803131749 /nfs/dbraw/zinc/13/17/49/803131749.db2.gz REKNZOCEPCFZAE-MRXNPFEDSA-N 2 1 299.378 0.882 20 30 CCEDMP N#Cc1cccc2c(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)c[nH]c21 ZINC001205953028 803190824 /nfs/dbraw/zinc/19/08/24/803190824.db2.gz HKTMISGJBYCYRS-ZIAGYGMSSA-N 2 1 270.336 0.933 20 30 CCEDMP N#Cc1cccc2c(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)c[nH]c21 ZINC001205953028 803190829 /nfs/dbraw/zinc/19/08/29/803190829.db2.gz HKTMISGJBYCYRS-ZIAGYGMSSA-N 2 1 270.336 0.933 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209643716 803620341 /nfs/dbraw/zinc/62/03/41/803620341.db2.gz VUILSQIYDNVWST-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP N#Cc1ncn(-c2cc[nH+]c(N3CC[NH2+]CC3)c2)c1N ZINC001210263072 803643810 /nfs/dbraw/zinc/64/38/10/803643810.db2.gz YSMSAYMLPVHBQQ-UHFFFAOYSA-N 2 1 269.312 0.131 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213377064 803691973 /nfs/dbraw/zinc/69/19/73/803691973.db2.gz WPYJUIJVAJIRAD-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C[NH2+]CCC[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000402215450 803816415 /nfs/dbraw/zinc/81/64/15/803816415.db2.gz LKLMZRBKEOMVEW-AWEZNQCLSA-N 2 1 277.368 0.839 20 30 CCEDMP C[NH2+]CCC[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000402215450 803816425 /nfs/dbraw/zinc/81/64/25/803816425.db2.gz LKLMZRBKEOMVEW-AWEZNQCLSA-N 2 1 277.368 0.839 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219731943 804414580 /nfs/dbraw/zinc/41/45/80/804414580.db2.gz KZHXRMWBFHTCKR-UPJWGTAASA-N 2 1 287.379 0.014 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219731943 804414582 /nfs/dbraw/zinc/41/45/82/804414582.db2.gz KZHXRMWBFHTCKR-UPJWGTAASA-N 2 1 287.379 0.014 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219811872 804427537 /nfs/dbraw/zinc/42/75/37/804427537.db2.gz ADUIKOMYFMCTAQ-KGLIPLIRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219811872 804427540 /nfs/dbraw/zinc/42/75/40/804427540.db2.gz ADUIKOMYFMCTAQ-KGLIPLIRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219811872 804427543 /nfs/dbraw/zinc/42/75/43/804427543.db2.gz ADUIKOMYFMCTAQ-KGLIPLIRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219811872 804427547 /nfs/dbraw/zinc/42/75/47/804427547.db2.gz ADUIKOMYFMCTAQ-KGLIPLIRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219845788 804432046 /nfs/dbraw/zinc/43/20/46/804432046.db2.gz SLVHGIPFBHGEGU-RDBSUJKOSA-N 2 1 283.416 0.310 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001220868900 804683592 /nfs/dbraw/zinc/68/35/92/804683592.db2.gz YPVNGSCDJMUJSF-KBPBESRZSA-N 3 1 282.432 0.470 20 30 CCEDMP C=CCN1CCC[C@H]1CNC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001220868900 804683597 /nfs/dbraw/zinc/68/35/97/804683597.db2.gz YPVNGSCDJMUJSF-KBPBESRZSA-N 2 1 282.432 0.470 20 30 CCEDMP C=CCC[N@H+](C)CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001272171584 815036759 /nfs/dbraw/zinc/03/67/59/815036759.db2.gz AFYQPJSRCGCQLC-OAHLLOKOSA-N 2 1 297.443 0.921 20 30 CCEDMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC#CC[NH+](C)C ZINC001221437541 804817514 /nfs/dbraw/zinc/81/75/14/804817514.db2.gz WEVGZYHHGAEYCL-GJZGRUSLSA-N 2 1 294.443 0.971 20 30 CCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001277008315 805095095 /nfs/dbraw/zinc/09/50/95/805095095.db2.gz RNLZZHRARUTDFA-HAQNSBGRSA-N 2 1 290.367 0.467 20 30 CCEDMP C#CCCN1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC001246348276 807228958 /nfs/dbraw/zinc/22/89/58/807228958.db2.gz VPWZOCQXCFXQLZ-IXXDHKBRSA-N 2 1 275.396 0.873 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001251847183 807717489 /nfs/dbraw/zinc/71/74/89/807717489.db2.gz AKYAILHZQYLWHO-CQSZACIVSA-N 2 1 254.374 0.271 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+](CCC)CCC[NH+](C)C ZINC001251857596 807725035 /nfs/dbraw/zinc/72/50/35/807725035.db2.gz GLNGGVBDOAIEKB-CQSZACIVSA-N 2 1 256.390 0.661 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038117678 815154874 /nfs/dbraw/zinc/15/48/74/815154874.db2.gz PPSSPRGIPHNFQP-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038117678 815154878 /nfs/dbraw/zinc/15/48/78/815154878.db2.gz PPSSPRGIPHNFQP-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038117678 815154882 /nfs/dbraw/zinc/15/48/82/815154882.db2.gz PPSSPRGIPHNFQP-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001278689450 807991048 /nfs/dbraw/zinc/99/10/48/807991048.db2.gz BJRSQEWICOYGAH-CYBMUJFWSA-N 2 1 265.401 0.786 20 30 CCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278777106 808214366 /nfs/dbraw/zinc/21/43/66/808214366.db2.gz SUPCPPOWSWIFPJ-GOEBONIOSA-N 2 1 295.427 0.598 20 30 CCEDMP N#Cc1ncn(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC001261177556 808920512 /nfs/dbraw/zinc/92/05/12/808920512.db2.gz WRURSSNPTIVBGO-NWDGAFQWSA-N 2 1 260.345 0.366 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001264161114 809635177 /nfs/dbraw/zinc/63/51/77/809635177.db2.gz BQUCWXXXEZDYTJ-AGIUHOORSA-N 2 1 251.374 0.539 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265224591 809728648 /nfs/dbraw/zinc/72/86/48/809728648.db2.gz GMTJDISLJBBLRC-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076568963 815312598 /nfs/dbraw/zinc/31/25/98/815312598.db2.gz FEKWTBLFBMUTAV-BFHYXJOUSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076568963 815312604 /nfs/dbraw/zinc/31/26/04/815312604.db2.gz FEKWTBLFBMUTAV-BFHYXJOUSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076568963 815312607 /nfs/dbraw/zinc/31/26/07/815312607.db2.gz FEKWTBLFBMUTAV-BFHYXJOUSA-N 2 1 263.385 0.657 20 30 CCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265590985 809811193 /nfs/dbraw/zinc/81/11/93/809811193.db2.gz LZACNOWZSUMXKH-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265590985 809811197 /nfs/dbraw/zinc/81/11/97/809811197.db2.gz LZACNOWZSUMXKH-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265590985 809811201 /nfs/dbraw/zinc/81/12/01/809811201.db2.gz LZACNOWZSUMXKH-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001265691780 809826392 /nfs/dbraw/zinc/82/63/92/809826392.db2.gz RNQZRMNLCKYSKX-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[N@H+](CC)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266029910 809921969 /nfs/dbraw/zinc/92/19/69/809921969.db2.gz BFORMVLNQATEQA-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[N@@H+](CC)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266029910 809921973 /nfs/dbraw/zinc/92/19/73/809921973.db2.gz BFORMVLNQATEQA-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[NH+](CC)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266029910 809921979 /nfs/dbraw/zinc/92/19/79/809921979.db2.gz BFORMVLNQATEQA-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[NH+](CC)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266029910 809921983 /nfs/dbraw/zinc/92/19/83/809921983.db2.gz BFORMVLNQATEQA-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001266128752 809942512 /nfs/dbraw/zinc/94/25/12/809942512.db2.gz LRMBIRSVLLHAMN-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001266128752 809942515 /nfs/dbraw/zinc/94/25/15/809942515.db2.gz LRMBIRSVLLHAMN-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001266128752 809942519 /nfs/dbraw/zinc/94/25/19/809942519.db2.gz LRMBIRSVLLHAMN-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001266128752 809942522 /nfs/dbraw/zinc/94/25/22/809942522.db2.gz LRMBIRSVLLHAMN-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001266189390 809958095 /nfs/dbraw/zinc/95/80/95/809958095.db2.gz QSAZUXFIHAFOQL-KGLIPLIRSA-N 2 1 281.400 0.072 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001279114529 809969577 /nfs/dbraw/zinc/96/95/77/809969577.db2.gz SARSUFQNHORKHS-KBPBESRZSA-N 2 1 277.412 0.788 20 30 CCEDMP C[N@H+]1[C@@H]2C[C@@H](OCCC[N+](C)(C)C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224624553 815353132 /nfs/dbraw/zinc/35/31/32/815353132.db2.gz XFOWCSOZKQPHDZ-KLLCGCCRSA-N 2 1 255.382 0.712 20 30 CCEDMP C[N@@H+]1[C@@H]2C[C@@H](OCCC[N+](C)(C)C)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224624553 815353138 /nfs/dbraw/zinc/35/31/38/815353138.db2.gz XFOWCSOZKQPHDZ-KLLCGCCRSA-N 2 1 255.382 0.712 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001267275578 811081423 /nfs/dbraw/zinc/08/14/23/811081423.db2.gz XYGNICMUZGUKBN-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001267283010 811092587 /nfs/dbraw/zinc/09/25/87/811092587.db2.gz ZMECUHWMCRIBIU-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001077236029 815466781 /nfs/dbraw/zinc/46/67/81/815466781.db2.gz CLXAQYHJBVBDAL-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077236029 815466784 /nfs/dbraw/zinc/46/67/84/815466784.db2.gz CLXAQYHJBVBDAL-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001077236029 815466787 /nfs/dbraw/zinc/46/67/87/815466787.db2.gz CLXAQYHJBVBDAL-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077236029 815466792 /nfs/dbraw/zinc/46/67/92/815466792.db2.gz CLXAQYHJBVBDAL-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077236029 815466795 /nfs/dbraw/zinc/46/67/95/815466795.db2.gz CLXAQYHJBVBDAL-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267766239 811763542 /nfs/dbraw/zinc/76/35/42/811763542.db2.gz GGAWZVKYMLWUGQ-CHWSQXEVSA-N 2 1 251.374 0.493 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077298699 815475432 /nfs/dbraw/zinc/47/54/32/815475432.db2.gz DLQZCQCKZHXUMR-ZIAGYGMSSA-N 2 1 293.411 0.352 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077298699 815475436 /nfs/dbraw/zinc/47/54/36/815475436.db2.gz DLQZCQCKZHXUMR-ZIAGYGMSSA-N 2 1 293.411 0.352 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC(C)C ZINC001038366765 811791865 /nfs/dbraw/zinc/79/18/65/811791865.db2.gz JCGPLSHBBUWJKY-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)Cn1c[nH+]cc1C ZINC001267811464 811807289 /nfs/dbraw/zinc/80/72/89/811807289.db2.gz KJHBKJBLDJTHGD-ZDUSSCGKSA-N 2 1 262.357 0.699 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001267997970 811933725 /nfs/dbraw/zinc/93/37/25/811933725.db2.gz HYCIGJMABMCBRT-CHWSQXEVSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001027893500 812126469 /nfs/dbraw/zinc/12/64/69/812126469.db2.gz XYVLOVGWXVLQSR-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027893500 812126475 /nfs/dbraw/zinc/12/64/75/812126475.db2.gz XYVLOVGWXVLQSR-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027893500 812126478 /nfs/dbraw/zinc/12/64/78/812126478.db2.gz XYVLOVGWXVLQSR-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268057846 812158370 /nfs/dbraw/zinc/15/83/70/812158370.db2.gz RWYOMCHAYKEAGN-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268057846 812158373 /nfs/dbraw/zinc/15/83/73/812158373.db2.gz RWYOMCHAYKEAGN-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCOC ZINC001268068963 812183585 /nfs/dbraw/zinc/18/35/85/812183585.db2.gz QMTACYDCVJALEY-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCOC ZINC001268068963 812183587 /nfs/dbraw/zinc/18/35/87/812183587.db2.gz QMTACYDCVJALEY-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001268244217 812411733 /nfs/dbraw/zinc/41/17/33/812411733.db2.gz VPFVKRHFTRMQCU-UHFFFAOYSA-N 2 1 262.357 0.605 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001268244217 812411737 /nfs/dbraw/zinc/41/17/37/812411737.db2.gz VPFVKRHFTRMQCU-UHFFFAOYSA-N 2 1 262.357 0.605 20 30 CCEDMP CC#CC[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001268409017 812551723 /nfs/dbraw/zinc/55/17/23/812551723.db2.gz RPVHRBRQXZMGIL-CQSZACIVSA-N 2 1 281.400 0.216 20 30 CCEDMP CC#CC[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001268758579 813067603 /nfs/dbraw/zinc/06/76/03/813067603.db2.gz XUHQCGHKNRSTFF-LBPRGKRZSA-N 2 1 262.357 0.651 20 30 CCEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001268758579 813067612 /nfs/dbraw/zinc/06/76/12/813067612.db2.gz XUHQCGHKNRSTFF-LBPRGKRZSA-N 2 1 262.357 0.651 20 30 CCEDMP COCC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268811133 813096027 /nfs/dbraw/zinc/09/60/27/813096027.db2.gz MKSKWABUMSGQPX-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)CCC)C1CC1 ZINC001269140999 813237349 /nfs/dbraw/zinc/23/73/49/813237349.db2.gz VNQDDXVHMNQRBG-ZDUSSCGKSA-N 2 1 251.374 0.446 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001269177265 813249932 /nfs/dbraw/zinc/24/99/32/813249932.db2.gz CETMWLXFAPFAGE-CQSZACIVSA-N 2 1 281.400 0.475 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001269177265 813249936 /nfs/dbraw/zinc/24/99/36/813249936.db2.gz CETMWLXFAPFAGE-CQSZACIVSA-N 2 1 281.400 0.475 20 30 CCEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001270303808 813714592 /nfs/dbraw/zinc/71/45/92/813714592.db2.gz JUTNQBDUYXUOBX-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001087577854 814169814 /nfs/dbraw/zinc/16/98/14/814169814.db2.gz NCGUURDVBSZTTE-APIJFGDWSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1CC ZINC001087577854 814169817 /nfs/dbraw/zinc/16/98/17/814169817.db2.gz NCGUURDVBSZTTE-APIJFGDWSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088201874 814446347 /nfs/dbraw/zinc/44/63/47/814446347.db2.gz YZILUDYYBAHVCF-CABCVRRESA-N 2 1 286.379 0.605 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088201874 814446356 /nfs/dbraw/zinc/44/63/56/814446356.db2.gz YZILUDYYBAHVCF-CABCVRRESA-N 2 1 286.379 0.605 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001271953374 814648580 /nfs/dbraw/zinc/64/85/80/814648580.db2.gz CMEQUHAUAWPWLA-OKILXGFUSA-N 2 1 263.385 0.943 20 30 CCEDMP C=CC[NH+]1CCC[C@@](CO)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001271987157 814664857 /nfs/dbraw/zinc/66/48/57/814664857.db2.gz DPKAMWSPABMUAL-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001271987157 814664862 /nfs/dbraw/zinc/66/48/62/814664862.db2.gz DPKAMWSPABMUAL-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001271987157 814664869 /nfs/dbraw/zinc/66/48/69/814664869.db2.gz DPKAMWSPABMUAL-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)CN1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030704934 816238040 /nfs/dbraw/zinc/23/80/40/816238040.db2.gz JHBSGWGKYPKJRC-CXOJTPOUSA-N 2 1 291.395 0.226 20 30 CCEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001272461160 816448101 /nfs/dbraw/zinc/44/81/01/816448101.db2.gz LZNZPADTSSLYSJ-LSDHHAIUSA-N 2 1 295.427 0.197 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031385493 817021414 /nfs/dbraw/zinc/02/14/14/817021414.db2.gz GEDNZMZRBDURLM-GFCCVEGCSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031385493 817021421 /nfs/dbraw/zinc/02/14/21/817021421.db2.gz GEDNZMZRBDURLM-GFCCVEGCSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031579191 817158462 /nfs/dbraw/zinc/15/84/62/817158462.db2.gz DBPBJHQVKVATIB-ZDUSSCGKSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC)C1 ZINC001031742791 817306990 /nfs/dbraw/zinc/30/69/90/817306990.db2.gz RIYGTFHIVXKSLH-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC)C1 ZINC001031742791 817306998 /nfs/dbraw/zinc/30/69/98/817306998.db2.gz RIYGTFHIVXKSLH-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598849 817790463 /nfs/dbraw/zinc/79/04/63/817790463.db2.gz VTEHILAQNMNPSD-KBPBESRZSA-N 2 1 293.411 0.162 20 30 CCEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273019055 818433349 /nfs/dbraw/zinc/43/33/49/818433349.db2.gz RMWSBPLJSWDLMT-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033361136 818741513 /nfs/dbraw/zinc/74/15/13/818741513.db2.gz LZDCAFSZVSJNPR-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033361136 818741518 /nfs/dbraw/zinc/74/15/18/818741518.db2.gz LZDCAFSZVSJNPR-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033361136 818741521 /nfs/dbraw/zinc/74/15/21/818741521.db2.gz LZDCAFSZVSJNPR-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033415909 818764829 /nfs/dbraw/zinc/76/48/29/818764829.db2.gz MJUBZTHPFFADIO-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033415909 818764833 /nfs/dbraw/zinc/76/48/33/818764833.db2.gz MJUBZTHPFFADIO-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033415909 818764841 /nfs/dbraw/zinc/76/48/41/818764841.db2.gz MJUBZTHPFFADIO-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033415909 818764845 /nfs/dbraw/zinc/76/48/45/818764845.db2.gz MJUBZTHPFFADIO-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001044865890 818813251 /nfs/dbraw/zinc/81/32/51/818813251.db2.gz RWELASQCNYTQCA-OCCSQVGLSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001034048249 819043733 /nfs/dbraw/zinc/04/37/33/819043733.db2.gz NPKDPHGRWHGTIP-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001034048249 819043738 /nfs/dbraw/zinc/04/37/38/819043738.db2.gz NPKDPHGRWHGTIP-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034207686 819124815 /nfs/dbraw/zinc/12/48/15/819124815.db2.gz NOWQYNCKQMFXJP-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP CNC(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)=[NH+]C ZINC000702603347 819154260 /nfs/dbraw/zinc/15/42/60/819154260.db2.gz RUURDHGGIKTZMR-OAHLLOKOSA-N 2 1 276.384 0.418 20 30 CCEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526364 819227201 /nfs/dbraw/zinc/22/72/01/819227201.db2.gz XMMWGDNZAMLSFA-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034526364 819227208 /nfs/dbraw/zinc/22/72/08/819227208.db2.gz XMMWGDNZAMLSFA-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526364 819227215 /nfs/dbraw/zinc/22/72/15/819227215.db2.gz XMMWGDNZAMLSFA-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001035372759 819493847 /nfs/dbraw/zinc/49/38/47/819493847.db2.gz QPZNYYWGTRFQOB-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001035372759 819493849 /nfs/dbraw/zinc/49/38/49/819493849.db2.gz QPZNYYWGTRFQOB-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035372759 819493852 /nfs/dbraw/zinc/49/38/52/819493852.db2.gz QPZNYYWGTRFQOB-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035372759 819493858 /nfs/dbraw/zinc/49/38/58/819493858.db2.gz QPZNYYWGTRFQOB-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035851688 819631952 /nfs/dbraw/zinc/63/19/52/819631952.db2.gz IYOKDPMXZJSSMF-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C=C(C)CN1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132696 820905761 /nfs/dbraw/zinc/90/57/61/820905761.db2.gz NRBCTQXSEIKUNI-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132696 820905769 /nfs/dbraw/zinc/90/57/69/820905769.db2.gz NRBCTQXSEIKUNI-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132696 820905777 /nfs/dbraw/zinc/90/57/77/820905777.db2.gz NRBCTQXSEIKUNI-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132696 820905795 /nfs/dbraw/zinc/90/57/95/820905795.db2.gz NRBCTQXSEIKUNI-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406511 821288500 /nfs/dbraw/zinc/28/85/00/821288500.db2.gz QRIFOVNXWUORPF-KFWWJZLASA-N 2 1 275.396 0.493 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406511 821288503 /nfs/dbraw/zinc/28/85/03/821288503.db2.gz QRIFOVNXWUORPF-KFWWJZLASA-N 2 1 275.396 0.493 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001085512726 821759938 /nfs/dbraw/zinc/75/99/38/821759938.db2.gz BJAIXQRONXZVCJ-QWHCGFSZSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001085512726 821759941 /nfs/dbraw/zinc/75/99/41/821759941.db2.gz BJAIXQRONXZVCJ-QWHCGFSZSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001085512726 821759945 /nfs/dbraw/zinc/75/99/45/821759945.db2.gz BJAIXQRONXZVCJ-QWHCGFSZSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001085512726 821759947 /nfs/dbraw/zinc/75/99/47/821759947.db2.gz BJAIXQRONXZVCJ-QWHCGFSZSA-N 2 1 251.374 0.799 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986082 821832756 /nfs/dbraw/zinc/83/27/56/821832756.db2.gz HUFGHTGBSZRANY-STQMWFEESA-N 2 1 269.389 0.066 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598339 821842045 /nfs/dbraw/zinc/84/20/45/821842045.db2.gz REIIKQRKYMLRKE-HOTGVXAUSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799537 821959649 /nfs/dbraw/zinc/95/96/49/821959649.db2.gz SYJZBZWUTJFEQF-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799537 821959658 /nfs/dbraw/zinc/95/96/58/821959658.db2.gz SYJZBZWUTJFEQF-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085982492 822053014 /nfs/dbraw/zinc/05/30/14/822053014.db2.gz LYZUZEDNACCZOJ-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085982492 822053021 /nfs/dbraw/zinc/05/30/21/822053021.db2.gz LYZUZEDNACCZOJ-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085982492 822053025 /nfs/dbraw/zinc/05/30/25/822053025.db2.gz LYZUZEDNACCZOJ-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085982492 822053034 /nfs/dbraw/zinc/05/30/34/822053034.db2.gz LYZUZEDNACCZOJ-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001086109943 822117135 /nfs/dbraw/zinc/11/71/35/822117135.db2.gz MYYFJMHGMQTWKG-ZNMIVQPWSA-N 2 1 273.380 0.202 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001086109943 822117139 /nfs/dbraw/zinc/11/71/39/822117139.db2.gz MYYFJMHGMQTWKG-ZNMIVQPWSA-N 2 1 273.380 0.202 20 30 CCEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108394862 836002968 /nfs/dbraw/zinc/00/29/68/836002968.db2.gz LJYFRPRJCYJFII-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394862 836002980 /nfs/dbraw/zinc/00/29/80/836002980.db2.gz LJYFRPRJCYJFII-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394862 836002990 /nfs/dbraw/zinc/00/29/90/836002990.db2.gz LJYFRPRJCYJFII-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169989583 836641994 /nfs/dbraw/zinc/64/19/94/836641994.db2.gz BVGFMBGSHDPKSD-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169989583 836642002 /nfs/dbraw/zinc/64/20/02/836642002.db2.gz BVGFMBGSHDPKSD-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090490057 837889892 /nfs/dbraw/zinc/88/98/92/837889892.db2.gz QIZYVXMVYPPRPP-ZIAGYGMSSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090490057 837889908 /nfs/dbraw/zinc/88/99/08/837889908.db2.gz QIZYVXMVYPPRPP-ZIAGYGMSSA-N 2 1 293.411 0.045 20 30 CCEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086664592 838039579 /nfs/dbraw/zinc/03/95/79/838039579.db2.gz WCLSWMBHCJSNIU-BFHYXJOUSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086664592 838039592 /nfs/dbraw/zinc/03/95/92/838039592.db2.gz WCLSWMBHCJSNIU-BFHYXJOUSA-N 2 1 281.400 0.378 20 30 CCEDMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]CC#CCOC)C1 ZINC001132738037 838480965 /nfs/dbraw/zinc/48/09/65/838480965.db2.gz UHQDTNFRAJROGE-HNNXBMFYSA-N 2 1 295.427 0.464 20 30 CCEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC#CCOC)C1 ZINC001132738038 838480980 /nfs/dbraw/zinc/48/09/80/838480980.db2.gz UHQDTNFRAJROGE-OAHLLOKOSA-N 2 1 295.427 0.464 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859296 838505541 /nfs/dbraw/zinc/50/55/41/838505541.db2.gz ZAWQXZAQDOIVOZ-LBPRGKRZSA-N 2 1 289.807 0.554 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185136553 844348644 /nfs/dbraw/zinc/34/86/44/844348644.db2.gz HVQYYQCIFITVPP-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185136553 844348656 /nfs/dbraw/zinc/34/86/56/844348656.db2.gz HVQYYQCIFITVPP-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135030017 839142220 /nfs/dbraw/zinc/14/22/20/839142220.db2.gz WISLHVDELQDZPH-RYUDHWBXSA-N 2 1 262.357 0.698 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135103262 839161823 /nfs/dbraw/zinc/16/18/23/839161823.db2.gz ZEBZWAWWTRMHFD-ZIAGYGMSSA-N 2 1 263.385 0.732 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001187276517 844685577 /nfs/dbraw/zinc/68/55/77/844685577.db2.gz MMEHJHCLTFCBMJ-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001091201517 840131067 /nfs/dbraw/zinc/13/10/67/840131067.db2.gz WHXWAHACLHATDR-NRXISQOPSA-N 2 1 295.427 0.766 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333180 840286647 /nfs/dbraw/zinc/28/66/47/840286647.db2.gz NAMFRSZARQHVNZ-NEPJUHHUSA-N 2 1 262.357 0.698 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146594783 840332721 /nfs/dbraw/zinc/33/27/21/840332721.db2.gz UTCVHGXPRKQCBJ-STQMWFEESA-N 2 1 253.390 0.833 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001147835135 840695525 /nfs/dbraw/zinc/69/55/25/840695525.db2.gz CQPZDRZQDPNJIZ-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)CC)C2)C1 ZINC001147835135 840695530 /nfs/dbraw/zinc/69/55/30/840695530.db2.gz CQPZDRZQDPNJIZ-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)CC)C2)C1 ZINC001147835135 840695538 /nfs/dbraw/zinc/69/55/38/840695538.db2.gz CQPZDRZQDPNJIZ-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092504587 841029331 /nfs/dbraw/zinc/02/93/31/841029331.db2.gz SIOFUPSYDNKXMB-MCIONIFRSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092504587 841029339 /nfs/dbraw/zinc/02/93/39/841029339.db2.gz SIOFUPSYDNKXMB-MCIONIFRSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092504587 841029344 /nfs/dbraw/zinc/02/93/44/841029344.db2.gz SIOFUPSYDNKXMB-MCIONIFRSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001094964083 841980456 /nfs/dbraw/zinc/98/04/56/841980456.db2.gz KUZHYDOPTANTGO-ZNMIVQPWSA-N 2 1 286.379 0.794 20 30 CCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150626201 842411924 /nfs/dbraw/zinc/41/19/24/842411924.db2.gz TYRKRJDQNXXINX-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177088690 842504846 /nfs/dbraw/zinc/50/48/46/842504846.db2.gz MRBCMBGANLHHCW-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177088690 842504853 /nfs/dbraw/zinc/50/48/53/842504853.db2.gz MRBCMBGANLHHCW-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182868 843111644 /nfs/dbraw/zinc/11/16/44/843111644.db2.gz RVPRQPJAYHRHHS-KKUMJFAQSA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182868 843111655 /nfs/dbraw/zinc/11/16/55/843111655.db2.gz RVPRQPJAYHRHHS-KKUMJFAQSA-N 2 1 293.411 0.309 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151737787 844996607 /nfs/dbraw/zinc/99/66/07/844996607.db2.gz FJNSZVSGRBIKCY-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151737787 844996616 /nfs/dbraw/zinc/99/66/16/844996616.db2.gz FJNSZVSGRBIKCY-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515923 845154979 /nfs/dbraw/zinc/15/49/79/845154979.db2.gz CXFTUGQXUOFZQQ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515923 845154983 /nfs/dbraw/zinc/15/49/83/845154983.db2.gz CXFTUGQXUOFZQQ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189515923 845154984 /nfs/dbraw/zinc/15/49/84/845154984.db2.gz CXFTUGQXUOFZQQ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189515923 845154988 /nfs/dbraw/zinc/15/49/88/845154988.db2.gz CXFTUGQXUOFZQQ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190901176 845524691 /nfs/dbraw/zinc/52/46/91/845524691.db2.gz VOUTZQQVCGGTCQ-ZIAGYGMSSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169696 845796253 /nfs/dbraw/zinc/79/62/53/845796253.db2.gz COMUBWATZFAATJ-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194038362 846202648 /nfs/dbraw/zinc/20/26/48/846202648.db2.gz KGALJEMXLNJTBE-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196199205 846704547 /nfs/dbraw/zinc/70/45/47/846704547.db2.gz DOLFXYNQHNEUPI-ZIAGYGMSSA-N 2 1 297.443 0.702 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196199205 846704557 /nfs/dbraw/zinc/70/45/57/846704557.db2.gz DOLFXYNQHNEUPI-ZIAGYGMSSA-N 2 1 297.443 0.702 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196199205 846704567 /nfs/dbraw/zinc/70/45/67/846704567.db2.gz DOLFXYNQHNEUPI-ZIAGYGMSSA-N 2 1 297.443 0.702 20 30 CCEDMP COCC#CC[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198275266 847087070 /nfs/dbraw/zinc/08/70/70/847087070.db2.gz ZLTRXYPROVQZRM-UHFFFAOYSA-N 2 1 295.427 0.511 20 30 CCEDMP COCC#CC[N@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198275266 847087074 /nfs/dbraw/zinc/08/70/74/847087074.db2.gz ZLTRXYPROVQZRM-UHFFFAOYSA-N 2 1 295.427 0.511 20 30 CCEDMP COCC#CC[NH+]1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001198275266 847087081 /nfs/dbraw/zinc/08/70/81/847087081.db2.gz ZLTRXYPROVQZRM-UHFFFAOYSA-N 2 1 295.427 0.511 20 30 CCEDMP COCC#CC[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198275266 847087087 /nfs/dbraw/zinc/08/70/87/847087087.db2.gz ZLTRXYPROVQZRM-UHFFFAOYSA-N 2 1 295.427 0.511 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198671062 847151375 /nfs/dbraw/zinc/15/13/75/847151375.db2.gz BOELHZLHYNLXHC-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198671062 847151379 /nfs/dbraw/zinc/15/13/79/847151379.db2.gz BOELHZLHYNLXHC-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199788606 847432821 /nfs/dbraw/zinc/43/28/21/847432821.db2.gz TULVGKWGCRUIMS-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C=C[C@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273882496 847727265 /nfs/dbraw/zinc/72/72/65/847727265.db2.gz ZPAZQUCLHDFHPM-GOEBONIOSA-N 2 1 295.427 0.552 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059931 847851653 /nfs/dbraw/zinc/85/16/53/847851653.db2.gz SWIQWXJCDVTNQR-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114411572 848052090 /nfs/dbraw/zinc/05/20/90/848052090.db2.gz HACZFXLSTHGHGH-NHAGDIPZSA-N 2 1 263.385 0.703 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114411572 848052096 /nfs/dbraw/zinc/05/20/96/848052096.db2.gz HACZFXLSTHGHGH-NHAGDIPZSA-N 2 1 263.385 0.703 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114411572 848052104 /nfs/dbraw/zinc/05/21/04/848052104.db2.gz HACZFXLSTHGHGH-NHAGDIPZSA-N 2 1 263.385 0.703 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001114426475 848056662 /nfs/dbraw/zinc/05/66/62/848056662.db2.gz NHTCXOCCZDBXOB-NYTXWWLZSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114426475 848056672 /nfs/dbraw/zinc/05/66/72/848056672.db2.gz NHTCXOCCZDBXOB-NYTXWWLZSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114426475 848056679 /nfs/dbraw/zinc/05/66/79/848056679.db2.gz NHTCXOCCZDBXOB-NYTXWWLZSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001274398221 848468796 /nfs/dbraw/zinc/46/87/96/848468796.db2.gz GHZBAFMCCADNPJ-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCOC(C)C ZINC001274792193 848570193 /nfs/dbraw/zinc/57/01/93/848570193.db2.gz VICATUGVNDVFEA-CABCVRRESA-N 2 1 295.427 0.603 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCOC(C)C ZINC001274792193 848570197 /nfs/dbraw/zinc/57/01/97/848570197.db2.gz VICATUGVNDVFEA-CABCVRRESA-N 2 1 295.427 0.603 20 30 CCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001098506480 849148629 /nfs/dbraw/zinc/14/86/29/849148629.db2.gz YEXCUZAFQNZHAN-UHFFFAOYSA-N 2 1 297.443 0.800 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750195 849386351 /nfs/dbraw/zinc/38/63/51/849386351.db2.gz CMKRXETWAAKIIY-FOLVSLTJSA-N 2 1 295.427 0.577 20 30 CCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001276360956 849450971 /nfs/dbraw/zinc/45/09/71/849450971.db2.gz NHQYFPPAHJKVCX-ZFWWWQNUSA-N 2 1 293.411 0.167 20 30 CCEDMP COCC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001276360956 849450976 /nfs/dbraw/zinc/45/09/76/849450976.db2.gz NHQYFPPAHJKVCX-ZFWWWQNUSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041296578 850424568 /nfs/dbraw/zinc/42/45/68/850424568.db2.gz JPXXAZDPTKTDMN-BFYDXBDKSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041296578 850424574 /nfs/dbraw/zinc/42/45/74/850424574.db2.gz JPXXAZDPTKTDMN-BFYDXBDKSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041296578 850424575 /nfs/dbraw/zinc/42/45/75/850424575.db2.gz JPXXAZDPTKTDMN-BFYDXBDKSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041402171 850442194 /nfs/dbraw/zinc/44/21/94/850442194.db2.gz HPYMBIUYUJFEDO-GDBMZVCRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041831675 850508636 /nfs/dbraw/zinc/50/86/36/850508636.db2.gz PDWVZCPMPKETKL-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041831675 850508644 /nfs/dbraw/zinc/50/86/44/850508644.db2.gz PDWVZCPMPKETKL-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041831675 850508649 /nfs/dbraw/zinc/50/86/49/850508649.db2.gz PDWVZCPMPKETKL-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042356910 850619970 /nfs/dbraw/zinc/61/99/70/850619970.db2.gz UYHZEWYFNAQVIE-GJZGRUSLSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042356910 850619975 /nfs/dbraw/zinc/61/99/75/850619975.db2.gz UYHZEWYFNAQVIE-GJZGRUSLSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001043642709 850915921 /nfs/dbraw/zinc/91/59/21/850915921.db2.gz ZTTVFSHFQSFCLU-KBPBESRZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001043642709 850915927 /nfs/dbraw/zinc/91/59/27/850915927.db2.gz ZTTVFSHFQSFCLU-KBPBESRZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCCF)C2)CC1 ZINC001044336134 851080628 /nfs/dbraw/zinc/08/06/28/851080628.db2.gz YOTALJRQFOHOOH-UHFFFAOYSA-N 2 1 295.402 0.834 20 30 CCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001045557177 851279213 /nfs/dbraw/zinc/27/92/13/851279213.db2.gz XGMMPSLQZSYZOS-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046329263 851466073 /nfs/dbraw/zinc/46/60/73/851466073.db2.gz NJNDMWDAIWAFNJ-FMKPAKJESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3ccnc3)C[C@H]2C1 ZINC001049087489 852161058 /nfs/dbraw/zinc/16/10/58/852161058.db2.gz RFDJZJRWCQDCMJ-SOUVJXGZSA-N 2 1 286.379 0.858 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001054905550 853034983 /nfs/dbraw/zinc/03/49/83/853034983.db2.gz HDVKPRZXPLVIDP-DGCLKSJQSA-N 2 1 260.341 0.261 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001072983505 854510042 /nfs/dbraw/zinc/51/00/42/854510042.db2.gz YNRDCFGZWWOCDZ-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001072983505 854510046 /nfs/dbraw/zinc/51/00/46/854510046.db2.gz YNRDCFGZWWOCDZ-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001072983505 854510050 /nfs/dbraw/zinc/51/00/50/854510050.db2.gz YNRDCFGZWWOCDZ-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001098393804 854861175 /nfs/dbraw/zinc/86/11/75/854861175.db2.gz DDHQVGRSSXDZHY-TUVASFSCSA-N 2 1 275.396 0.683 20 30 CCEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001098393804 854861182 /nfs/dbraw/zinc/86/11/82/854861182.db2.gz DDHQVGRSSXDZHY-TUVASFSCSA-N 2 1 275.396 0.683 20 30 CCEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098393804 854861196 /nfs/dbraw/zinc/86/11/96/854861196.db2.gz DDHQVGRSSXDZHY-TUVASFSCSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001098758985 854883789 /nfs/dbraw/zinc/88/37/89/854883789.db2.gz AQNITEMAUUEYSC-DZKIICNBSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001098758985 854883791 /nfs/dbraw/zinc/88/37/91/854883791.db2.gz AQNITEMAUUEYSC-DZKIICNBSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001098758985 854883796 /nfs/dbraw/zinc/88/37/96/854883796.db2.gz AQNITEMAUUEYSC-DZKIICNBSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001098758985 854883801 /nfs/dbraw/zinc/88/38/01/854883801.db2.gz AQNITEMAUUEYSC-DZKIICNBSA-N 2 1 275.396 0.685 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099878968 855015955 /nfs/dbraw/zinc/01/59/55/855015955.db2.gz CEBKDRKXSHFHOG-CABCVRRESA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099878968 855015958 /nfs/dbraw/zinc/01/59/58/855015958.db2.gz CEBKDRKXSHFHOG-CABCVRRESA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099878968 855015963 /nfs/dbraw/zinc/01/59/63/855015963.db2.gz CEBKDRKXSHFHOG-CABCVRRESA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973809 855057744 /nfs/dbraw/zinc/05/77/44/855057744.db2.gz JNEUUCNYRSICIN-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001100016995 855073287 /nfs/dbraw/zinc/07/32/87/855073287.db2.gz CMPFDFLKSGKYQE-KBPBESRZSA-N 2 1 292.383 0.470 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001100445993 855169516 /nfs/dbraw/zinc/16/95/16/855169516.db2.gz JMSLOEMXBYKWPV-YMAMQOFZSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758504 855220491 /nfs/dbraw/zinc/22/04/91/855220491.db2.gz ALBJTLOCTKUSFK-UHFFFAOYSA-N 2 1 293.411 0.216 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001394622382 913319648 /nfs/dbraw/zinc/31/96/48/913319648.db2.gz WOEMAJAAGCBQCO-VXGBXAGGSA-N 2 1 289.807 0.290 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001394622382 913319654 /nfs/dbraw/zinc/31/96/54/913319654.db2.gz WOEMAJAAGCBQCO-VXGBXAGGSA-N 2 1 289.807 0.290 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211072976 891579775 /nfs/dbraw/zinc/57/97/75/891579775.db2.gz XWJSVQBZLDUZAV-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001283583237 891908204 /nfs/dbraw/zinc/90/82/04/891908204.db2.gz SNKQVAAAIXFAEH-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001481048864 892114853 /nfs/dbraw/zinc/11/48/53/892114853.db2.gz GCINRNLAYZNWSY-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001481048864 892114862 /nfs/dbraw/zinc/11/48/62/892114862.db2.gz GCINRNLAYZNWSY-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001481500501 892747471 /nfs/dbraw/zinc/74/74/71/892747471.db2.gz KJHJTUPGLVOULQ-HNNXBMFYSA-N 2 1 293.411 0.122 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001481500501 892747479 /nfs/dbraw/zinc/74/74/79/892747479.db2.gz KJHJTUPGLVOULQ-HNNXBMFYSA-N 2 1 293.411 0.122 20 30 CCEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001482066690 893348446 /nfs/dbraw/zinc/34/84/46/893348446.db2.gz FLZAMQDRVORSFU-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001482196373 893504158 /nfs/dbraw/zinc/50/41/58/893504158.db2.gz FTBXWKWYCLQYMR-AWEZNQCLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001482196373 893504181 /nfs/dbraw/zinc/50/41/81/893504181.db2.gz FTBXWKWYCLQYMR-AWEZNQCLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001284558169 893618779 /nfs/dbraw/zinc/61/87/79/893618779.db2.gz JUBSDUXREZCWIT-CQSZACIVSA-N 2 1 265.401 0.740 20 30 CCEDMP C#CC[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001284558169 893618787 /nfs/dbraw/zinc/61/87/87/893618787.db2.gz JUBSDUXREZCWIT-CQSZACIVSA-N 2 1 265.401 0.740 20 30 CCEDMP C#CC[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001284558169 893618795 /nfs/dbraw/zinc/61/87/95/893618795.db2.gz JUBSDUXREZCWIT-CQSZACIVSA-N 2 1 265.401 0.740 20 30 CCEDMP C[NH+](C)CC1(O)CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001363267117 893717379 /nfs/dbraw/zinc/71/73/79/893717379.db2.gz IBOFUTGJSYALAP-UHFFFAOYSA-N 2 1 274.368 0.842 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001484524351 896459388 /nfs/dbraw/zinc/45/93/88/896459388.db2.gz IBSHGEMAHGELAY-GJZGRUSLSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCF)C1 ZINC001484524351 896459395 /nfs/dbraw/zinc/45/93/95/896459395.db2.gz IBSHGEMAHGELAY-GJZGRUSLSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001484998903 896702296 /nfs/dbraw/zinc/70/22/96/896702296.db2.gz XACVPNFNODMJAR-JSGCOSHPSA-N 2 1 288.395 0.872 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001484998902 896703658 /nfs/dbraw/zinc/70/36/58/896703658.db2.gz XACVPNFNODMJAR-GXTWGEPZSA-N 2 1 288.395 0.872 20 30 CCEDMP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001032400596 897449087 /nfs/dbraw/zinc/44/90/87/897449087.db2.gz OGAFAAMYWTUINS-KKUMJFAQSA-N 2 1 275.396 0.778 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCN1CCOCC1 ZINC001032684258 897929205 /nfs/dbraw/zinc/92/92/05/897929205.db2.gz IAVMSYGUCKUKSL-GJZGRUSLSA-N 2 1 293.411 0.570 20 30 CCEDMP C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCN1CCOCC1 ZINC001032684258 897929222 /nfs/dbraw/zinc/92/92/22/897929222.db2.gz IAVMSYGUCKUKSL-GJZGRUSLSA-N 2 1 293.411 0.570 20 30 CCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032730703 898026880 /nfs/dbraw/zinc/02/68/80/898026880.db2.gz NNVSRIZXQOVXEA-IHRRRGAJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001032730703 898026894 /nfs/dbraw/zinc/02/68/94/898026894.db2.gz NNVSRIZXQOVXEA-IHRRRGAJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730703 898026907 /nfs/dbraw/zinc/02/69/07/898026907.db2.gz NNVSRIZXQOVXEA-IHRRRGAJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730703 898026915 /nfs/dbraw/zinc/02/69/15/898026915.db2.gz NNVSRIZXQOVXEA-IHRRRGAJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078174451 898283871 /nfs/dbraw/zinc/28/38/71/898283871.db2.gz LUCPXCIYGUMVNH-BFHYXJOUSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174451 898283888 /nfs/dbraw/zinc/28/38/88/898283888.db2.gz LUCPXCIYGUMVNH-BFHYXJOUSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174451 898283905 /nfs/dbraw/zinc/28/39/05/898283905.db2.gz LUCPXCIYGUMVNH-BFHYXJOUSA-N 2 1 281.400 0.066 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001486126885 898686364 /nfs/dbraw/zinc/68/63/64/898686364.db2.gz DWWJZXDIMSBAOT-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486316548 898776043 /nfs/dbraw/zinc/77/60/43/898776043.db2.gz DCXWTZYJDIAADI-RYUDHWBXSA-N 2 1 289.807 0.100 20 30 CCEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390684 900011546 /nfs/dbraw/zinc/01/15/46/900011546.db2.gz SYRVHAOTZNVGBQ-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189390684 900011558 /nfs/dbraw/zinc/01/15/58/900011558.db2.gz SYRVHAOTZNVGBQ-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189390684 900011568 /nfs/dbraw/zinc/01/15/68/900011568.db2.gz SYRVHAOTZNVGBQ-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP N#CC1(C[C@@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC001261836936 904085866 /nfs/dbraw/zinc/08/58/66/904085866.db2.gz PPIPHMLMAYNTPT-CQSZACIVSA-N 2 1 281.400 0.478 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC001261836935 904086044 /nfs/dbraw/zinc/08/60/44/904086044.db2.gz PPIPHMLMAYNTPT-AWEZNQCLSA-N 2 1 281.400 0.478 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC001280632173 904131002 /nfs/dbraw/zinc/13/10/02/904131002.db2.gz WGIAHRULPWFRJC-KKUMJFAQSA-N 2 1 295.427 0.720 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001282493159 904491677 /nfs/dbraw/zinc/49/16/77/904491677.db2.gz AUIUEDWISMSQLZ-GJZGRUSLSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001316628980 904961178 /nfs/dbraw/zinc/96/11/78/904961178.db2.gz BCFBHCBNDMSJRK-KKUMJFAQSA-N 2 1 295.402 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001316628980 904961191 /nfs/dbraw/zinc/96/11/91/904961191.db2.gz BCFBHCBNDMSJRK-KKUMJFAQSA-N 2 1 295.402 0.928 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCC(C)C ZINC001283766108 905000444 /nfs/dbraw/zinc/00/04/44/905000444.db2.gz ZTAFYCLUTBXIJG-CABCVRRESA-N 2 1 295.427 0.197 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCC(C)C ZINC001283766108 905000462 /nfs/dbraw/zinc/00/04/62/905000462.db2.gz ZTAFYCLUTBXIJG-CABCVRRESA-N 2 1 295.427 0.197 20 30 CCEDMP C=C(C)CC[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001283826689 905040743 /nfs/dbraw/zinc/04/07/43/905040743.db2.gz CTCSWRBSUOGSOV-ZDUSSCGKSA-N 2 1 280.372 0.224 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001327926825 914869450 /nfs/dbraw/zinc/86/94/50/914869450.db2.gz UIIUAGVRSAMLRZ-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH2+]CCOCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001284876246 905452135 /nfs/dbraw/zinc/45/21/35/905452135.db2.gz QXGOBGOPYNQFNZ-AWEZNQCLSA-N 2 1 281.400 0.026 20 30 CCEDMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCC#N)CC[C@H]21 ZINC001335790073 907071594 /nfs/dbraw/zinc/07/15/94/907071594.db2.gz ZXRFVCSDTRLXRT-JHJVBQTASA-N 2 1 264.373 0.560 20 30 CCEDMP C=CCC[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001491642055 907477247 /nfs/dbraw/zinc/47/72/47/907477247.db2.gz XUQMKNCJIDZGAT-OLZOCXBDSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001317449162 909219249 /nfs/dbraw/zinc/21/92/49/909219249.db2.gz JYTYRYUOOJEVLH-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001317449162 909219258 /nfs/dbraw/zinc/21/92/58/909219258.db2.gz JYTYRYUOOJEVLH-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001317449162 909219267 /nfs/dbraw/zinc/21/92/67/909219267.db2.gz JYTYRYUOOJEVLH-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001317449162 909219278 /nfs/dbraw/zinc/21/92/78/909219278.db2.gz JYTYRYUOOJEVLH-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317459554 909239925 /nfs/dbraw/zinc/23/99/25/909239925.db2.gz LKDAZLKBBPLMGV-CYBMUJFWSA-N 2 1 253.390 0.644 20 30 CCEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001317620758 909411846 /nfs/dbraw/zinc/41/18/46/909411846.db2.gz VXSAAZJDZNPECA-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318387404 909733699 /nfs/dbraw/zinc/73/36/99/909733699.db2.gz SFMXBQYYFZXSSM-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318387404 909733708 /nfs/dbraw/zinc/73/37/08/909733708.db2.gz SFMXBQYYFZXSSM-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001318387404 909733713 /nfs/dbraw/zinc/73/37/13/909733713.db2.gz SFMXBQYYFZXSSM-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001318387404 909733723 /nfs/dbraw/zinc/73/37/23/909733723.db2.gz SFMXBQYYFZXSSM-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001338610860 921525842 /nfs/dbraw/zinc/52/58/42/921525842.db2.gz ZQMJMJASUXYBAP-FRRDWIJNSA-N 2 1 264.373 0.134 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001323014917 912072232 /nfs/dbraw/zinc/07/22/32/912072232.db2.gz LLUHUILEQFRLNQ-CQSZACIVSA-N 2 1 263.385 0.588 20 30 CCEDMP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001329051789 915627027 /nfs/dbraw/zinc/62/70/27/915627027.db2.gz CQXGAWWFMTUGNZ-STQMWFEESA-N 2 1 265.401 0.977 20 30 CCEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001329398247 915876404 /nfs/dbraw/zinc/87/64/04/915876404.db2.gz SKGSHLZCKFAMOW-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001329398247 915876416 /nfs/dbraw/zinc/87/64/16/915876416.db2.gz SKGSHLZCKFAMOW-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001329398247 915876434 /nfs/dbraw/zinc/87/64/34/915876434.db2.gz SKGSHLZCKFAMOW-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001330085574 916405588 /nfs/dbraw/zinc/40/55/88/916405588.db2.gz MFABGOJLKIBMCW-ZDUSSCGKSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001330686996 916792868 /nfs/dbraw/zinc/79/28/68/916792868.db2.gz TVAUXOLJEATLTB-MGPQQGTHSA-N 2 1 263.385 0.446 20 30 CCEDMP C=CCO[C@H]1CC[N@H+](C[C@H](O)CN(C)CCOC)C1 ZINC001332839301 918472426 /nfs/dbraw/zinc/47/24/26/918472426.db2.gz BMYIHWNSQQTNAT-KGLIPLIRSA-N 2 1 272.389 0.202 20 30 CCEDMP C=CCO[C@H]1CCN(C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC001332839301 918472436 /nfs/dbraw/zinc/47/24/36/918472436.db2.gz BMYIHWNSQQTNAT-KGLIPLIRSA-N 2 1 272.389 0.202 20 30 CCEDMP COCC#CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001334522919 919636968 /nfs/dbraw/zinc/63/69/68/919636968.db2.gz JRBUWARJKXJYHB-ZDUSSCGKSA-N 2 1 269.389 0.024 20 30 CCEDMP COCC#CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001334522919 919636979 /nfs/dbraw/zinc/63/69/79/919636979.db2.gz JRBUWARJKXJYHB-ZDUSSCGKSA-N 2 1 269.389 0.024 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001336878379 921079724 /nfs/dbraw/zinc/07/97/24/921079724.db2.gz ZEJWWJLMQPCXEF-KGLIPLIRSA-N 2 1 280.416 0.568 20 30 CCEDMP C#CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC001340107351 921960884 /nfs/dbraw/zinc/96/08/84/921960884.db2.gz XYRMMHAVXRXGGM-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC001340192809 922003224 /nfs/dbraw/zinc/00/32/24/922003224.db2.gz ZKDVLJKGUABIOT-CYBMUJFWSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@@H]1CCCC[N@H+]1CCCC ZINC001343407636 923303216 /nfs/dbraw/zinc/30/32/16/923303216.db2.gz HPXOBKJPMADVEK-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC001343407636 923303231 /nfs/dbraw/zinc/30/32/31/923303231.db2.gz HPXOBKJPMADVEK-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP C=CCOCCCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001344707585 923670226 /nfs/dbraw/zinc/67/02/26/923670226.db2.gz FWVUTVODFMILKI-UHFFFAOYSA-N 2 1 269.389 0.509 20 30 CCEDMP C=C[C@](C)(O)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507055 365662491 /nfs/dbraw/zinc/66/24/91/365662491.db2.gz GOPOHMZVCGTZBU-ZFWWWQNUSA-N 2 1 285.432 0.702 20 30 CCEDMP C=C[C@](C)(O)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507055 365662501 /nfs/dbraw/zinc/66/25/01/365662501.db2.gz GOPOHMZVCGTZBU-ZFWWWQNUSA-N 2 1 285.432 0.702 20 30 CCEDMP COc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)ccc1C#N ZINC000234922044 352178253 /nfs/dbraw/zinc/17/82/53/352178253.db2.gz KJEUYOPVTBGPBR-UHFFFAOYSA-N 2 1 288.395 0.904 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)Cn1ccnc1 ZINC000296168252 353934787 /nfs/dbraw/zinc/93/47/87/353934787.db2.gz BGFNGIUUWIGSOQ-ZDUSSCGKSA-N 2 1 277.372 0.526 20 30 CCEDMP N#CCCC[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000611072263 363654946 /nfs/dbraw/zinc/65/49/46/363654946.db2.gz NBWXHRACLGQJIT-ZDUSSCGKSA-N 2 1 264.373 0.704 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000591726610 359648547 /nfs/dbraw/zinc/64/85/47/359648547.db2.gz WDLKNHBZXUYWJP-QLFBSQMISA-N 2 1 280.416 0.409 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000591770772 359657370 /nfs/dbraw/zinc/65/73/70/359657370.db2.gz YNFAMDYPBOVDHI-LSDHHAIUSA-N 2 1 282.432 0.514 20 30 CCEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592153756 359771700 /nfs/dbraw/zinc/77/17/00/359771700.db2.gz OIBNPZKFKJTANJ-MRXNPFEDSA-N 2 1 294.443 0.753 20 30 CCEDMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]([NH3+])CCCCC#N)n1C ZINC000594437665 360306015 /nfs/dbraw/zinc/30/60/15/360306015.db2.gz KJVVMRSVLJMLTD-LBPRGKRZSA-N 2 1 292.387 0.514 20 30 CCEDMP Cc1cc(NCC[N@@H+](C)CCC[NH+](C)C)c(C#N)cn1 ZINC000596425667 360889701 /nfs/dbraw/zinc/88/97/01/360889701.db2.gz UGJABEIJHWGIOG-UHFFFAOYSA-N 2 1 275.400 0.979 20 30 CCEDMP Cc1cc(NCC[N@H+](C)CCC[NH+](C)C)c(C#N)cn1 ZINC000596425667 360889706 /nfs/dbraw/zinc/88/97/06/360889706.db2.gz UGJABEIJHWGIOG-UHFFFAOYSA-N 2 1 275.400 0.979 20 30 CCEDMP C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000574462753 335021708 /nfs/dbraw/zinc/02/17/08/335021708.db2.gz LZAFQTIYZQEULV-LBPRGKRZSA-N 2 1 264.373 0.432 20 30 CCEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639760118 375982567 /nfs/dbraw/zinc/98/25/67/375982567.db2.gz BWVOIKVOFBTRJF-ZIAGYGMSSA-N 2 1 256.390 0.702 20 30 CCEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639760118 375982573 /nfs/dbraw/zinc/98/25/73/375982573.db2.gz BWVOIKVOFBTRJF-ZIAGYGMSSA-N 2 1 256.390 0.702 20 30 CCEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639760117 375983674 /nfs/dbraw/zinc/98/36/74/375983674.db2.gz BWVOIKVOFBTRJF-UONOGXRCSA-N 2 1 256.390 0.702 20 30 CCEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639760117 375983678 /nfs/dbraw/zinc/98/36/78/375983678.db2.gz BWVOIKVOFBTRJF-UONOGXRCSA-N 2 1 256.390 0.702 20 30 CCEDMP C#CC[N@@H+](C)CCCNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000292911431 388968338 /nfs/dbraw/zinc/96/83/38/388968338.db2.gz XNIDHJVLFZOCSQ-UHFFFAOYSA-N 2 1 285.355 0.612 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCOC)CC1 ZINC000171127330 389471774 /nfs/dbraw/zinc/47/17/74/389471774.db2.gz NIQZKBQPIAHZCY-UHFFFAOYSA-N 2 1 281.400 0.026 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351853577 389699516 /nfs/dbraw/zinc/69/95/16/389699516.db2.gz PCLIIDRFDKRJLR-GARJFASQSA-N 2 1 268.361 0.056 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351853577 389699520 /nfs/dbraw/zinc/69/95/20/389699520.db2.gz PCLIIDRFDKRJLR-GARJFASQSA-N 2 1 268.361 0.056 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)NCC(F)(F)C[NH3+])CC1 ZINC000417529596 389826761 /nfs/dbraw/zinc/82/67/61/389826761.db2.gz QAVNLFAQMZAOMP-UHFFFAOYSA-N 2 1 276.331 0.530 20 30 CCEDMP C[C@H](CNC[C@H](O)CN(C)CCC#N)[N@H+](C)C1CC1 ZINC000567378318 390696184 /nfs/dbraw/zinc/69/61/84/390696184.db2.gz YCUDTVUGWAGABH-OCCSQVGLSA-N 2 1 268.405 0.265 20 30 CCEDMP C[C@H](CNC[C@H](O)CN(C)CCC#N)[N@@H+](C)C1CC1 ZINC000567378318 390696186 /nfs/dbraw/zinc/69/61/86/390696186.db2.gz YCUDTVUGWAGABH-OCCSQVGLSA-N 2 1 268.405 0.265 20 30 CCEDMP C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CCC[NH2+]1 ZINC000662683107 414740617 /nfs/dbraw/zinc/74/06/17/414740617.db2.gz VTGOFRXUAYXNOO-JSGCOSHPSA-N 2 1 251.374 0.753 20 30 CCEDMP C[C@@H]1[C@H](CO)CC[N@H+]1CC#CC[NH+]1CC[C@H](CO)[C@@H]1C ZINC000342115659 263390177 /nfs/dbraw/zinc/39/01/77/263390177.db2.gz ASNXJOASJRZXRG-SYMSYNOKSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1[C@H](CO)CC[N@@H+]1CC#CC[NH+]1CC[C@H](CO)[C@@H]1C ZINC000342115659 263390179 /nfs/dbraw/zinc/39/01/79/263390179.db2.gz ASNXJOASJRZXRG-SYMSYNOKSA-N 2 1 280.412 0.395 20 30 CCEDMP CC1(C)C[NH+](CC#CC[N@H+]2C[C@@H](O)C(C)(C)C2)C[C@H]1O ZINC000342181644 263394359 /nfs/dbraw/zinc/39/43/59/263394359.db2.gz ZWYZIDPGDPPLAJ-ZIAGYGMSSA-N 2 1 280.412 0.395 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)CC1(CO)CC1)CC1(CO)CC1 ZINC000342181632 263394437 /nfs/dbraw/zinc/39/44/37/263394437.db2.gz ZUCJNXDTCDKHLR-UHFFFAOYSA-N 2 1 280.412 0.398 20 30 CCEDMP C[C@@H](C#N)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000530804141 326892026 /nfs/dbraw/zinc/89/20/26/326892026.db2.gz VKBFFGYSAQXKAN-NSHDSACASA-N 2 1 273.340 0.932 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](O)C1(C)C ZINC000262469449 330015314 /nfs/dbraw/zinc/01/53/14/330015314.db2.gz ZKPJDRBHIXCHRG-WOPDTQHZSA-N 2 1 268.405 0.534 20 30 CCEDMP C[C@@H]1CN(C(=[NH2+])NCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000262501535 330018036 /nfs/dbraw/zinc/01/80/36/330018036.db2.gz YPFBIHGHKQWUCN-QWHCGFSZSA-N 2 1 268.405 0.896 20 30 CCEDMP C[NH+]=C(NCc1ccnc(C)n1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262803117 330032745 /nfs/dbraw/zinc/03/27/45/330032745.db2.gz POEKOYGALSXCHV-ZDUSSCGKSA-N 2 1 288.399 0.687 20 30 CCEDMP C[NH+]=C(NCc1ccnc(C)n1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262803117 330032746 /nfs/dbraw/zinc/03/27/46/330032746.db2.gz POEKOYGALSXCHV-ZDUSSCGKSA-N 2 1 288.399 0.687 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000424137256 330274685 /nfs/dbraw/zinc/27/46/85/330274685.db2.gz RVUBIFJRXCBDBJ-LBPRGKRZSA-N 2 1 250.346 0.314 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424143032 330286609 /nfs/dbraw/zinc/28/66/09/330286609.db2.gz VUKNOKNGRVHHNZ-KGLIPLIRSA-N 2 1 296.415 0.481 20 30 CCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424160787 330306302 /nfs/dbraw/zinc/30/63/02/330306302.db2.gz UVBCZCOTDKKQSO-CHWSQXEVSA-N 2 1 282.388 0.235 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC1CC[NH+](CC)CC1 ZINC000491326309 332190329 /nfs/dbraw/zinc/19/03/29/332190329.db2.gz LVONCDXGHFIONP-UHFFFAOYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000491675499 332281171 /nfs/dbraw/zinc/28/11/71/332281171.db2.gz ZGFQCWMKEGFYTD-UHFFFAOYSA-N 2 1 268.405 0.568 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000491714315 332305031 /nfs/dbraw/zinc/30/50/31/332305031.db2.gz MHSDMXQZRSCAAK-CQSZACIVSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])NCCCOCC ZINC000491728519 332311106 /nfs/dbraw/zinc/31/11/06/332311106.db2.gz DKDXFBGRHPBHMM-UHFFFAOYSA-N 2 1 254.378 0.482 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000491767653 332335316 /nfs/dbraw/zinc/33/53/16/332335316.db2.gz JAHGCEPIYUAGJC-GFCCVEGCSA-N 2 1 252.362 0.234 20 30 CCEDMP C=C(C)[C@@H](CO)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000679424902 545409034 /nfs/dbraw/zinc/40/90/34/545409034.db2.gz VCEINBQMGCPKHS-CQSZACIVSA-N 2 1 284.400 0.083 20 30 CCEDMP C=C(C)[C@@H](CO)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000679319139 545406818 /nfs/dbraw/zinc/40/68/18/545406818.db2.gz ROHKMUVXUZICRF-CQSZACIVSA-N 2 1 255.406 0.493 20 30 CCEDMP C[C@H]1CC(=NNC(=S)NCCC[NH+](C)C)CC[N@H+]1C ZINC000741465050 581754587 /nfs/dbraw/zinc/75/45/87/581754587.db2.gz YBLFKAYAMBSEKR-NSHDSACASA-N 2 1 285.461 0.872 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000733367499 581903292 /nfs/dbraw/zinc/90/32/92/581903292.db2.gz CORMRBJKJZMWKD-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000733367499 581903293 /nfs/dbraw/zinc/90/32/93/581903293.db2.gz CORMRBJKJZMWKD-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCn1ccnc1 ZINC000768324442 582105615 /nfs/dbraw/zinc/10/56/15/582105615.db2.gz QZOLCKUMVQVEPN-AWEZNQCLSA-N 2 1 274.368 0.829 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCn1ccnc1 ZINC000768324442 582105616 /nfs/dbraw/zinc/10/56/16/582105616.db2.gz QZOLCKUMVQVEPN-AWEZNQCLSA-N 2 1 274.368 0.829 20 30 CCEDMP C#CC[C@@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000895490815 613029927 /nfs/dbraw/zinc/02/99/27/613029927.db2.gz SXXOYKLOFCAUDG-LSDHHAIUSA-N 2 1 266.385 0.604 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841911130 613076067 /nfs/dbraw/zinc/07/60/67/613076067.db2.gz YSMBCNXTSOBLNU-CYBMUJFWSA-N 2 1 266.389 0.383 20 30 CCEDMP C#CCCN(CCOC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000852749443 612989336 /nfs/dbraw/zinc/98/93/36/612989336.db2.gz YGTOSVGQXWFUOS-CQSZACIVSA-N 2 1 256.390 0.659 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000874264086 613009128 /nfs/dbraw/zinc/00/91/28/613009128.db2.gz QGBRXBIGGPDJAH-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CCCN1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000874263867 613009452 /nfs/dbraw/zinc/00/94/52/613009452.db2.gz NTTVZHNYQUVDRM-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000874263867 613009453 /nfs/dbraw/zinc/00/94/53/613009453.db2.gz NTTVZHNYQUVDRM-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000874263867 613009454 /nfs/dbraw/zinc/00/94/54/613009454.db2.gz NTTVZHNYQUVDRM-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000962768980 613043577 /nfs/dbraw/zinc/04/35/77/613043577.db2.gz YEZQLKKVQKOWJT-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC000962768980 613043579 /nfs/dbraw/zinc/04/35/79/613043579.db2.gz YEZQLKKVQKOWJT-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC000962768980 613043581 /nfs/dbraw/zinc/04/35/81/613043581.db2.gz YEZQLKKVQKOWJT-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000959999573 613044350 /nfs/dbraw/zinc/04/43/50/613044350.db2.gz DOSYQZCYRKHYSS-AALSBFMBSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000959999573 613044351 /nfs/dbraw/zinc/04/43/51/613044351.db2.gz DOSYQZCYRKHYSS-AALSBFMBSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000959999573 613044353 /nfs/dbraw/zinc/04/43/53/613044353.db2.gz DOSYQZCYRKHYSS-AALSBFMBSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CCN(C(=O)N[C@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000914315296 613068171 /nfs/dbraw/zinc/06/81/71/613068171.db2.gz PKVSCZPYCMVPSQ-AWEZNQCLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCC[NH+](CC#C)C1 ZINC000884377569 613077028 /nfs/dbraw/zinc/07/70/28/613077028.db2.gz OCYDGWSXISANGS-HNNXBMFYSA-N 2 1 290.411 0.338 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[NH+](CC#C)C1 ZINC000884377569 613077030 /nfs/dbraw/zinc/07/70/30/613077030.db2.gz OCYDGWSXISANGS-HNNXBMFYSA-N 2 1 290.411 0.338 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@H+](CC#C)C1 ZINC000884377569 613077031 /nfs/dbraw/zinc/07/70/31/613077031.db2.gz OCYDGWSXISANGS-HNNXBMFYSA-N 2 1 290.411 0.338 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@@H+](CC#C)C1 ZINC000884377569 613077033 /nfs/dbraw/zinc/07/70/33/613077033.db2.gz OCYDGWSXISANGS-HNNXBMFYSA-N 2 1 290.411 0.338 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](OC)C1CCOCC1 ZINC000894863763 613079254 /nfs/dbraw/zinc/07/92/54/613079254.db2.gz RHTOFQIUDJDEQY-HNNXBMFYSA-N 2 1 268.401 0.973 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](OC)C1CCOCC1 ZINC000894863763 613079256 /nfs/dbraw/zinc/07/92/56/613079256.db2.gz RHTOFQIUDJDEQY-HNNXBMFYSA-N 2 1 268.401 0.973 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000972334772 613080897 /nfs/dbraw/zinc/08/08/97/613080897.db2.gz JUSSEKZGIALAKM-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000972334772 613080899 /nfs/dbraw/zinc/08/08/99/613080899.db2.gz JUSSEKZGIALAKM-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000972334772 613080901 /nfs/dbraw/zinc/08/09/01/613080901.db2.gz JUSSEKZGIALAKM-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969703377 613116814 /nfs/dbraw/zinc/11/68/14/613116814.db2.gz GYJNIFRVWYZIGU-YRGRVCCFSA-N 2 1 263.385 0.396 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969703377 613116815 /nfs/dbraw/zinc/11/68/15/613116815.db2.gz GYJNIFRVWYZIGU-YRGRVCCFSA-N 2 1 263.385 0.396 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000920404206 613135028 /nfs/dbraw/zinc/13/50/28/613135028.db2.gz LUIMWIQILWSFCK-DZGCQCFKSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983027165 613151673 /nfs/dbraw/zinc/15/16/73/613151673.db2.gz PILIRKMKQOCTQM-UHFFFAOYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983027165 613151674 /nfs/dbraw/zinc/15/16/74/613151674.db2.gz PILIRKMKQOCTQM-UHFFFAOYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(CC)[C@H]2CC[N@H+](C)C2)C1 ZINC000890364382 613167189 /nfs/dbraw/zinc/16/71/89/613167189.db2.gz ZFOYHDBWFMLGFQ-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(CC)[C@H]2CC[N@@H+](C)C2)C1 ZINC000890364382 613167190 /nfs/dbraw/zinc/16/71/90/613167190.db2.gz ZFOYHDBWFMLGFQ-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CC)[C@H]2CC[NH+](C)C2)C1 ZINC000890364382 613167191 /nfs/dbraw/zinc/16/71/91/613167191.db2.gz ZFOYHDBWFMLGFQ-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC)[C@H]2CC[NH+](C)C2)C1 ZINC000890364382 613167192 /nfs/dbraw/zinc/16/71/92/613167192.db2.gz ZFOYHDBWFMLGFQ-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817677041 613194309 /nfs/dbraw/zinc/19/43/09/613194309.db2.gz NXJLYGCZYYOOTP-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000817677041 613194310 /nfs/dbraw/zinc/19/43/10/613194310.db2.gz NXJLYGCZYYOOTP-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000817677041 613194311 /nfs/dbraw/zinc/19/43/11/613194311.db2.gz NXJLYGCZYYOOTP-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000817677041 613194313 /nfs/dbraw/zinc/19/43/13/613194313.db2.gz NXJLYGCZYYOOTP-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C[NH+]=C(NCCC[N@@H+](C)C(C)C)NCCN1CCOCC1 ZINC000848987704 613219596 /nfs/dbraw/zinc/21/95/96/613219596.db2.gz SOLQZYUDVAMYPY-UHFFFAOYSA-N 2 1 299.463 0.214 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941167015 613223591 /nfs/dbraw/zinc/22/35/91/613223591.db2.gz OSOWBMRQFFTGLV-CQSZACIVSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648665 613263582 /nfs/dbraw/zinc/26/35/82/613263582.db2.gz GNHKRGKVMPGCQX-KGLIPLIRSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982798754 613293347 /nfs/dbraw/zinc/29/33/47/613293347.db2.gz NRMLIOFFKRIXNI-OIISXLGYSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982798754 613293348 /nfs/dbraw/zinc/29/33/48/613293348.db2.gz NRMLIOFFKRIXNI-OIISXLGYSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982798754 613293349 /nfs/dbraw/zinc/29/33/49/613293349.db2.gz NRMLIOFFKRIXNI-OIISXLGYSA-N 2 1 289.423 0.742 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905098771 613304733 /nfs/dbraw/zinc/30/47/33/613304733.db2.gz WWCHBTZGXICLEL-JKSUJKDBSA-N 2 1 298.427 0.519 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978161249 613307721 /nfs/dbraw/zinc/30/77/21/613307721.db2.gz SZYDMMCYPKHDCQ-JONQDZQNSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978161249 613307722 /nfs/dbraw/zinc/30/77/22/613307722.db2.gz SZYDMMCYPKHDCQ-JONQDZQNSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978161249 613307724 /nfs/dbraw/zinc/30/77/24/613307724.db2.gz SZYDMMCYPKHDCQ-JONQDZQNSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC000979080604 613308759 /nfs/dbraw/zinc/30/87/59/613308759.db2.gz SDWYRVRHUQHCCC-LVQVYYBASA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978145184 613309062 /nfs/dbraw/zinc/30/90/62/613309062.db2.gz OYCYEZZABPPYPV-YHUYYLMFSA-N 2 1 287.407 0.255 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000961344893 613314813 /nfs/dbraw/zinc/31/48/13/613314813.db2.gz WENBVINMSXQISG-FXUDXRNXSA-N 2 1 287.407 0.540 20 30 CCEDMP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000950510589 613318304 /nfs/dbraw/zinc/31/83/04/613318304.db2.gz WFSAPEDUNBOJMW-UONOGXRCSA-N 2 1 265.401 0.904 20 30 CCEDMP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000950510589 613318305 /nfs/dbraw/zinc/31/83/05/613318305.db2.gz WFSAPEDUNBOJMW-UONOGXRCSA-N 2 1 265.401 0.904 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958592557 613339621 /nfs/dbraw/zinc/33/96/21/613339621.db2.gz RRHPPSNJCSBWFU-ZIAGYGMSSA-N 2 1 293.411 0.067 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000900373978 613363682 /nfs/dbraw/zinc/36/36/82/613363682.db2.gz KTGDRJOJBYXOPA-UHFFFAOYSA-N 2 1 283.416 0.675 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000900373032 613365698 /nfs/dbraw/zinc/36/56/98/613365698.db2.gz YNYDGJUEAOUHFZ-LBPRGKRZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000972992475 613554954 /nfs/dbraw/zinc/55/49/54/613554954.db2.gz RSTIQSQUUXUBFW-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972992475 613554958 /nfs/dbraw/zinc/55/49/58/613554958.db2.gz RSTIQSQUUXUBFW-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972992475 613554960 /nfs/dbraw/zinc/55/49/60/613554960.db2.gz RSTIQSQUUXUBFW-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992475 613554965 /nfs/dbraw/zinc/55/49/65/613554965.db2.gz RSTIQSQUUXUBFW-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992475 613554969 /nfs/dbraw/zinc/55/49/69/613554969.db2.gz RSTIQSQUUXUBFW-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923366791 613586791 /nfs/dbraw/zinc/58/67/91/613586791.db2.gz ORFGJPORFBJSFF-ZIAGYGMSSA-N 2 1 253.390 0.293 20 30 CCEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000923282758 613590974 /nfs/dbraw/zinc/59/09/74/613590974.db2.gz XQCNHHSXZJIVKQ-OLZOCXBDSA-N 2 1 269.389 0.100 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972629831 613611800 /nfs/dbraw/zinc/61/18/00/613611800.db2.gz YLVYIUUWCVJITQ-CQSZACIVSA-N 2 1 295.427 0.816 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978152986 613628770 /nfs/dbraw/zinc/62/87/70/613628770.db2.gz HBISZRYOJCIJAE-QCODTGAPSA-N 2 1 289.423 0.644 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978152986 613628772 /nfs/dbraw/zinc/62/87/72/613628772.db2.gz HBISZRYOJCIJAE-QCODTGAPSA-N 2 1 289.423 0.644 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978152986 613628775 /nfs/dbraw/zinc/62/87/75/613628775.db2.gz HBISZRYOJCIJAE-QCODTGAPSA-N 2 1 289.423 0.644 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980397930 613633901 /nfs/dbraw/zinc/63/39/01/613633901.db2.gz SQSRQHIBQBTRBS-STQMWFEESA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980397930 613633902 /nfs/dbraw/zinc/63/39/02/613633902.db2.gz SQSRQHIBQBTRBS-STQMWFEESA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980397930 613633904 /nfs/dbraw/zinc/63/39/04/613633904.db2.gz SQSRQHIBQBTRBS-STQMWFEESA-N 2 1 251.374 0.657 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958414623 613635022 /nfs/dbraw/zinc/63/50/22/613635022.db2.gz HTSXVUYIDXOSAG-RFQIPJPRSA-N 2 1 261.369 0.150 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000958414623 613635024 /nfs/dbraw/zinc/63/50/24/613635024.db2.gz HTSXVUYIDXOSAG-RFQIPJPRSA-N 2 1 261.369 0.150 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC000958414623 613635026 /nfs/dbraw/zinc/63/50/26/613635026.db2.gz HTSXVUYIDXOSAG-RFQIPJPRSA-N 2 1 261.369 0.150 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCCC2)CC1 ZINC000905099244 613675797 /nfs/dbraw/zinc/67/57/97/613675797.db2.gz ZVFLLPDYFFLCQP-AWEZNQCLSA-N 2 1 268.401 0.892 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+](C)C2CCC([NH3+])CC2)C1=O ZINC000843355569 613738141 /nfs/dbraw/zinc/73/81/41/613738141.db2.gz VXIVFSCIHMKZRX-WXRRBKDZSA-N 2 1 251.374 0.975 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962295856 613837039 /nfs/dbraw/zinc/83/70/39/613837039.db2.gz HNDUBYYNIQLVEA-ITGUQSILSA-N 2 1 261.369 0.315 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939748314 613869076 /nfs/dbraw/zinc/86/90/76/613869076.db2.gz OERMBSBMGAXXFX-DGCLKSJQSA-N 2 1 262.357 0.814 20 30 CCEDMP CCCCNC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000104174545 614962203 /nfs/dbraw/zinc/96/22/03/614962203.db2.gz ZDAGMIXRMQTOSW-ZDUSSCGKSA-N 2 1 269.437 0.574 20 30 CCEDMP CC[NH+]1CCN(CCCCNC2=[NH+]C[C@H](C)N2)CC1 ZINC000848990067 615157044 /nfs/dbraw/zinc/15/70/44/615157044.db2.gz WWEUDDZJRSTSFV-ZDUSSCGKSA-N 2 1 267.421 0.341 20 30 CCEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])N[C@H](C)COC)CC1 ZINC000104174740 615158854 /nfs/dbraw/zinc/15/88/54/615158854.db2.gz LNQYLPSHVWFKBL-UONOGXRCSA-N 2 1 299.463 0.199 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000913522509 615859682 /nfs/dbraw/zinc/85/96/82/615859682.db2.gz MQSDYFUOPNZQTQ-OAHLLOKOSA-N 2 1 283.391 0.880 20 30 CCEDMP CN(CC[N@@H+](C)C1CC1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884325596 616083479 /nfs/dbraw/zinc/08/34/79/616083479.db2.gz VQSYTKDVTREIRI-UYJPIKCFSA-N 2 1 290.411 0.678 20 30 CCEDMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801961 616125472 /nfs/dbraw/zinc/12/54/72/616125472.db2.gz KXBPIWCDUHXWRQ-CABCVRRESA-N 2 1 286.379 0.389 20 30 CCEDMP C[N@H+]1CCC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884197668 616189356 /nfs/dbraw/zinc/18/93/56/616189356.db2.gz ARRHKVMYFAQMEZ-SBEAFCBVSA-N 2 1 276.384 0.336 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001022716399 622693772 /nfs/dbraw/zinc/69/37/72/622693772.db2.gz WTSUMMCSJGBUGQ-RWMBFGLXSA-N 2 1 251.374 0.751 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCOC1 ZINC000245926874 622955869 /nfs/dbraw/zinc/95/58/69/622955869.db2.gz WWJRYXQKGBVNTI-CHWSQXEVSA-N 2 1 268.405 0.802 20 30 CCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001023446433 623034493 /nfs/dbraw/zinc/03/44/93/623034493.db2.gz PMESNJGRPBFVPH-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446433 623034498 /nfs/dbraw/zinc/03/44/98/623034498.db2.gz PMESNJGRPBFVPH-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446433 623034507 /nfs/dbraw/zinc/03/45/07/623034507.db2.gz PMESNJGRPBFVPH-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023569727 623068685 /nfs/dbraw/zinc/06/86/85/623068685.db2.gz QPSVYXYOLAWBSE-CQSZACIVSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023744876 623124804 /nfs/dbraw/zinc/12/48/04/623124804.db2.gz WICKPWHFMHJIQI-KBPBESRZSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023744876 623124805 /nfs/dbraw/zinc/12/48/05/623124805.db2.gz WICKPWHFMHJIQI-KBPBESRZSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023744876 623124807 /nfs/dbraw/zinc/12/48/07/623124807.db2.gz WICKPWHFMHJIQI-KBPBESRZSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001024801292 623446687 /nfs/dbraw/zinc/44/66/87/623446687.db2.gz MFNCPALKQMANPP-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024801292 623446693 /nfs/dbraw/zinc/44/66/93/623446693.db2.gz MFNCPALKQMANPP-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC)C1 ZINC001022221732 624894366 /nfs/dbraw/zinc/89/43/66/624894366.db2.gz MRBSRWVIQSDBRL-MJBXVCDLSA-N 2 1 263.385 0.731 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC)C1 ZINC001022221732 624894370 /nfs/dbraw/zinc/89/43/70/624894370.db2.gz MRBSRWVIQSDBRL-MJBXVCDLSA-N 2 1 263.385 0.731 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCOC1 ZINC000261968233 624930346 /nfs/dbraw/zinc/93/03/46/624930346.db2.gz CFNYOHVCMNHHEL-VXGBXAGGSA-N 2 1 254.378 0.412 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001027576661 630768709 /nfs/dbraw/zinc/76/87/09/630768709.db2.gz TWJFNLNOWBLYAR-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001027576661 630768714 /nfs/dbraw/zinc/76/87/14/630768714.db2.gz TWJFNLNOWBLYAR-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001027576661 630768716 /nfs/dbraw/zinc/76/87/16/630768716.db2.gz TWJFNLNOWBLYAR-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001027690742 630854723 /nfs/dbraw/zinc/85/47/23/630854723.db2.gz ILBBGWRIPHXXRO-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001027690742 630854727 /nfs/dbraw/zinc/85/47/27/630854727.db2.gz ILBBGWRIPHXXRO-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001027690742 630854730 /nfs/dbraw/zinc/85/47/30/630854730.db2.gz ILBBGWRIPHXXRO-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001027690742 630854734 /nfs/dbraw/zinc/85/47/34/630854734.db2.gz ILBBGWRIPHXXRO-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001027690745 630854926 /nfs/dbraw/zinc/85/49/26/630854926.db2.gz ILBBGWRIPHXXRO-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001027690745 630854930 /nfs/dbraw/zinc/85/49/30/630854930.db2.gz ILBBGWRIPHXXRO-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001027690745 630854935 /nfs/dbraw/zinc/85/49/35/630854935.db2.gz ILBBGWRIPHXXRO-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001027690745 630854940 /nfs/dbraw/zinc/85/49/40/630854940.db2.gz ILBBGWRIPHXXRO-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001027794736 630924583 /nfs/dbraw/zinc/92/45/83/630924583.db2.gz INCXYOMLVKCLER-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027794736 630924590 /nfs/dbraw/zinc/92/45/90/630924590.db2.gz INCXYOMLVKCLER-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027794736 630924595 /nfs/dbraw/zinc/92/45/95/630924595.db2.gz INCXYOMLVKCLER-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP Cc1[nH+]ccn1CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261684142 631439388 /nfs/dbraw/zinc/43/93/88/631439388.db2.gz AGGDQECQENLBCE-NSHDSACASA-N 2 1 251.334 0.275 20 30 CCEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N(C)Cc1cccn1C ZINC000261944279 631717622 /nfs/dbraw/zinc/71/76/22/631717622.db2.gz FHRVRQBJHBBAJY-CYBMUJFWSA-N 2 1 277.416 0.984 20 30 CCEDMP C[NH+]=C(NC[C@H](C)N(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261962264 631735884 /nfs/dbraw/zinc/73/58/84/631735884.db2.gz KNFNDCBUEAOGJD-MBNYWOFBSA-N 3 1 281.448 0.584 20 30 CCEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261962264 631735888 /nfs/dbraw/zinc/73/58/88/631735888.db2.gz KNFNDCBUEAOGJD-MBNYWOFBSA-N 3 1 281.448 0.584 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001007006974 650060839 /nfs/dbraw/zinc/06/08/39/650060839.db2.gz CRLQKHGSEVFYSY-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001007006974 650060841 /nfs/dbraw/zinc/06/08/41/650060841.db2.gz CRLQKHGSEVFYSY-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001007006974 650060842 /nfs/dbraw/zinc/06/08/42/650060842.db2.gz CRLQKHGSEVFYSY-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001007006974 650060844 /nfs/dbraw/zinc/06/08/44/650060844.db2.gz CRLQKHGSEVFYSY-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989666493 633341719 /nfs/dbraw/zinc/34/17/19/633341719.db2.gz DQSKZKKDEGQLPH-UHFFFAOYSA-N 2 1 251.374 0.803 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)Cn2ccnc2C)CC1 ZINC000989673233 633343875 /nfs/dbraw/zinc/34/38/75/633343875.db2.gz KFBHGCBJPKHXTG-UHFFFAOYSA-N 2 1 274.368 0.749 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000989673233 633343882 /nfs/dbraw/zinc/34/38/82/633343882.db2.gz KFBHGCBJPKHXTG-UHFFFAOYSA-N 2 1 274.368 0.749 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001009203477 650139906 /nfs/dbraw/zinc/13/99/06/650139906.db2.gz RKHYSTITVUEAMW-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014416314 650449798 /nfs/dbraw/zinc/44/97/98/650449798.db2.gz ZVHXQXNYDWVEML-KGLIPLIRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014416314 650449802 /nfs/dbraw/zinc/44/98/02/650449802.db2.gz ZVHXQXNYDWVEML-KGLIPLIRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014416314 650449803 /nfs/dbraw/zinc/44/98/03/650449803.db2.gz ZVHXQXNYDWVEML-KGLIPLIRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014416314 650449804 /nfs/dbraw/zinc/44/98/04/650449804.db2.gz ZVHXQXNYDWVEML-KGLIPLIRSA-N 2 1 263.385 0.683 20 30 CCEDMP C[NH+]=C(NCC[NH+]1CCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083102383 638791767 /nfs/dbraw/zinc/79/17/67/638791767.db2.gz ZHWZSUOIFCWYIV-ZDUSSCGKSA-N 3 1 279.432 0.484 20 30 CCEDMP C[NH+]=C(NCC[NH+]1CCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083102383 638791771 /nfs/dbraw/zinc/79/17/71/638791771.db2.gz ZHWZSUOIFCWYIV-ZDUSSCGKSA-N 3 1 279.432 0.484 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC)C(C)(C)C1 ZINC000995924538 638804533 /nfs/dbraw/zinc/80/45/33/638804533.db2.gz PVGLMEQAGCGDBK-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC)C(C)(C)C1 ZINC000995924538 638804537 /nfs/dbraw/zinc/80/45/37/638804537.db2.gz PVGLMEQAGCGDBK-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000998987422 638953440 /nfs/dbraw/zinc/95/34/40/638953440.db2.gz OBTCBRNYYUGCNQ-BLYZHGLHSA-N 2 1 281.400 0.471 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000998987422 638953442 /nfs/dbraw/zinc/95/34/42/638953442.db2.gz OBTCBRNYYUGCNQ-BLYZHGLHSA-N 2 1 281.400 0.471 20 30 CCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001001278969 639274122 /nfs/dbraw/zinc/27/41/22/639274122.db2.gz OJWABDRFNZRDIF-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003630917 639579965 /nfs/dbraw/zinc/57/99/65/639579965.db2.gz QIKQRXLVRYCZGE-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000834490373 642582029 /nfs/dbraw/zinc/58/20/29/642582029.db2.gz UTARMCWSUNVDDL-OAGGEKHMSA-N 2 1 298.390 0.879 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000848413004 643634877 /nfs/dbraw/zinc/63/48/77/643634877.db2.gz HUFYGYAHDQSFID-MCIONIFRSA-N 2 1 294.399 0.377 20 30 CCEDMP C=CC[C@@H](CO)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000849016186 643700700 /nfs/dbraw/zinc/70/07/00/643700700.db2.gz RNAMFSRBDCWLGO-OLZOCXBDSA-N 2 1 268.405 0.769 20 30 CCEDMP N#CC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC1 ZINC000849043256 643707947 /nfs/dbraw/zinc/70/79/47/643707947.db2.gz KLBKWXPATQNVNV-UHFFFAOYSA-N 2 1 279.388 0.517 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000852859699 644027806 /nfs/dbraw/zinc/02/78/06/644027806.db2.gz XXNXNRGWPAHNOQ-CABCVRRESA-N 2 1 275.396 0.732 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001019156146 650942020 /nfs/dbraw/zinc/94/20/20/650942020.db2.gz RTXLFWZUBIZRMS-ZDUSSCGKSA-N 2 1 286.379 0.586 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001020288700 651056262 /nfs/dbraw/zinc/05/62/62/651056262.db2.gz HLIXXNIZMDQJIW-AJNGGQMLSA-N 2 1 275.396 0.873 20 30 CCEDMP C[C@H]1CC[N@@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884227472 647672265 /nfs/dbraw/zinc/67/22/65/647672265.db2.gz QHQXRXIJJZVXAQ-PGOFDVKTSA-N 2 1 290.411 0.584 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000245639956 649646994 /nfs/dbraw/zinc/64/69/94/649646994.db2.gz SAXPUPBSGVWYDG-DZGCQCFKSA-N 2 1 280.416 0.626 20 30 CCEDMP CCCNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303889977 649826486 /nfs/dbraw/zinc/82/64/86/649826486.db2.gz PTURYPKEGQOWHA-GFCCVEGCSA-N 2 1 255.410 0.184 20 30 CCEDMP C=CCNC(=[NH2+])NCCCCN1CC[NH+](CC)CC1 ZINC000303252154 649813403 /nfs/dbraw/zinc/81/34/03/649813403.db2.gz BBTKJWHQGBNNDT-UHFFFAOYSA-N 2 1 267.421 0.494 20 30 CCEDMP C[C@@H]1CCCN(C(=[NH2+])NCCN2CCC[N@@H+](C)CC2)C1 ZINC000303878817 649826304 /nfs/dbraw/zinc/82/63/04/649826304.db2.gz JIXIVZCZAXHZHW-CQSZACIVSA-N 2 1 281.448 0.671 20 30 CCEDMP C[C@@H](CNC(=[NH2+])N1CCSCC1)CN1CC[NH+](C)CC1 ZINC000303893706 649826679 /nfs/dbraw/zinc/82/66/79/649826679.db2.gz SCLZVRILUFKXPR-ZDUSSCGKSA-N 2 1 299.488 0.233 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)C(=O)OC ZINC000303976753 649827525 /nfs/dbraw/zinc/82/75/25/649827525.db2.gz KNVSCUWENXBLDV-QWRGUYRKSA-N 2 1 270.377 0.184 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000304738614 649837571 /nfs/dbraw/zinc/83/75/71/649837571.db2.gz AUZOMYQTXITCAZ-LLVKDONJSA-N 2 1 256.394 0.800 20 30 CCEDMP CC#CC[N@H+](CC)CCNC(=O)Cn1c[nH+]cc1C ZINC001266403614 790644815 /nfs/dbraw/zinc/64/48/15/790644815.db2.gz ZIBIWPMJRDEKKD-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)Cn1c[nH+]cc1C ZINC001266403614 790644821 /nfs/dbraw/zinc/64/48/21/790644821.db2.gz ZIBIWPMJRDEKKD-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001167225370 790709260 /nfs/dbraw/zinc/70/92/60/790709260.db2.gz SSBVAHJHBJDYRH-CQSZACIVSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)Cn2cncc2C)C1 ZINC001266523784 790867566 /nfs/dbraw/zinc/86/75/66/790867566.db2.gz VHFYQMVYVBVNGR-CQSZACIVSA-N 2 1 274.368 0.653 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001266523784 790867569 /nfs/dbraw/zinc/86/75/69/790867569.db2.gz VHFYQMVYVBVNGR-CQSZACIVSA-N 2 1 274.368 0.653 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001266523784 790867579 /nfs/dbraw/zinc/86/75/79/790867579.db2.gz VHFYQMVYVBVNGR-CQSZACIVSA-N 2 1 274.368 0.653 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001266540345 790902380 /nfs/dbraw/zinc/90/23/80/790902380.db2.gz VBYKCXBLCJKYGO-GFCCVEGCSA-N 2 1 260.341 0.414 20 30 CCEDMP C#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266564826 790936119 /nfs/dbraw/zinc/93/61/19/790936119.db2.gz CFOPZAHMCOHRLX-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266564826 790936125 /nfs/dbraw/zinc/93/61/25/790936125.db2.gz CFOPZAHMCOHRLX-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266564826 790936139 /nfs/dbraw/zinc/93/61/39/790936139.db2.gz CFOPZAHMCOHRLX-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267012166 791443798 /nfs/dbraw/zinc/44/37/98/791443798.db2.gz ZVRRCLUACKNFQO-AWEZNQCLSA-N 2 1 295.427 0.864 20 30 CCEDMP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267129375 791574149 /nfs/dbraw/zinc/57/41/49/791574149.db2.gz OEMIFIZCOPVAGX-RBSFLKMASA-N 2 1 295.427 0.461 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCC)CC1 ZINC001267232745 791714019 /nfs/dbraw/zinc/71/40/19/791714019.db2.gz LQPKPMBSKLIIKQ-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C=CC[N@@H+](CC)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001267253894 793249879 /nfs/dbraw/zinc/24/98/79/793249879.db2.gz UXYPJHVRSHMUSZ-UHFFFAOYSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCN(CCN1CC[NH2+]C[C@@]12CC[NH2+]C2)C(=O)OCC ZINC001234981254 806325217 /nfs/dbraw/zinc/32/52/17/806325217.db2.gz MKCAZTHBTRFVFQ-HNNXBMFYSA-N 2 1 296.415 0.268 20 30 CCEDMP COc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(C#N)c1 ZINC001234983170 806328839 /nfs/dbraw/zinc/32/88/39/806328839.db2.gz UBXONBBREKNVHX-MRXNPFEDSA-N 2 1 286.379 0.704 20 30 CCEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001277937813 806408117 /nfs/dbraw/zinc/40/81/17/806408117.db2.gz JAJBVPRDIPNEGB-STQMWFEESA-N 2 1 253.390 0.951 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CC)C2)C1 ZINC001122022860 799124953 /nfs/dbraw/zinc/12/49/53/799124953.db2.gz LUNCRRWKGUZDJA-UHFFFAOYSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001278165163 806737219 /nfs/dbraw/zinc/73/72/19/806737219.db2.gz UIVHQAIPBFCWOO-HUUCEWRRSA-N 2 1 295.427 0.339 20 30 CCEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001278227328 806780149 /nfs/dbraw/zinc/78/01/49/806780149.db2.gz YPOZBFACMRLPMD-GJZGRUSLSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001278227328 806780156 /nfs/dbraw/zinc/78/01/56/806780156.db2.gz YPOZBFACMRLPMD-GJZGRUSLSA-N 2 1 295.427 0.768 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001202954090 799825458 /nfs/dbraw/zinc/82/54/58/799825458.db2.gz MBNWCLZOEAIHLD-UHFFFAOYSA-N 2 1 293.411 0.313 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149981560 800309629 /nfs/dbraw/zinc/30/96/29/800309629.db2.gz ASFKFOPXZNEFJW-CQSZACIVSA-N 2 1 292.383 0.585 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149981560 800309636 /nfs/dbraw/zinc/30/96/36/800309636.db2.gz ASFKFOPXZNEFJW-CQSZACIVSA-N 2 1 292.383 0.585 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001159868826 801884040 /nfs/dbraw/zinc/88/40/40/801884040.db2.gz MNWBURXZSXZLFS-OAHLLOKOSA-N 2 1 293.411 0.359 20 30 CCEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857914 802034049 /nfs/dbraw/zinc/03/40/49/802034049.db2.gz RKPCSRDGOOIUIZ-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857914 802034051 /nfs/dbraw/zinc/03/40/51/802034051.db2.gz RKPCSRDGOOIUIZ-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001278326667 806965005 /nfs/dbraw/zinc/96/50/05/806965005.db2.gz SNXOGTQDZHHCFZ-CABCVRRESA-N 2 1 295.427 0.555 20 30 CCEDMP CCNC(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)=[NH+]CC ZINC000395587551 811711986 /nfs/dbraw/zinc/71/19/86/811711986.db2.gz ZADAKFAXKYGDLL-VXGBXAGGSA-N 2 1 254.378 0.425 20 30 CCEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204875670 803107671 /nfs/dbraw/zinc/10/76/71/803107671.db2.gz AEFSVOSFHOCWIE-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204875670 803107676 /nfs/dbraw/zinc/10/76/76/803107676.db2.gz AEFSVOSFHOCWIE-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCN(CC[N@H+]1CCCC[C@](O)(C[NH3+])C1)C(=O)OCC ZINC001205664093 803153772 /nfs/dbraw/zinc/15/37/72/803153772.db2.gz LKWDWBSAZIFOGR-HNNXBMFYSA-N 2 1 299.415 0.807 20 30 CCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206927625 803309792 /nfs/dbraw/zinc/30/97/92/803309792.db2.gz HWNVXAWKZDIGOE-CQSZACIVSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001206930004 803311219 /nfs/dbraw/zinc/31/12/19/803311219.db2.gz NTTNQJZFMQMRBK-UHFFFAOYSA-N 2 1 274.368 0.653 20 30 CCEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207697490 803439213 /nfs/dbraw/zinc/43/92/13/803439213.db2.gz BBEIHIAFCVWJDR-RBSFLKMASA-N 2 1 297.443 0.966 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001210529656 803652803 /nfs/dbraw/zinc/65/28/03/803652803.db2.gz ZAAZKXLKGPVUGC-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210529656 803652807 /nfs/dbraw/zinc/65/28/07/803652807.db2.gz ZAAZKXLKGPVUGC-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210529656 803652812 /nfs/dbraw/zinc/65/28/12/803652812.db2.gz ZAAZKXLKGPVUGC-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210782344 803659467 /nfs/dbraw/zinc/65/94/67/803659467.db2.gz LWWWAXHSHWOFDU-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001272085127 814955705 /nfs/dbraw/zinc/95/57/05/814955705.db2.gz HVDFKBJIPKDLGK-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001272085127 814955707 /nfs/dbraw/zinc/95/57/07/814955707.db2.gz HVDFKBJIPKDLGK-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001272085127 814955712 /nfs/dbraw/zinc/95/57/12/814955712.db2.gz HVDFKBJIPKDLGK-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000402125704 803814130 /nfs/dbraw/zinc/81/41/30/803814130.db2.gz CNSNTVKDEZZRHD-TZMCWYRMSA-N 2 1 275.352 0.579 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001276728030 803825187 /nfs/dbraw/zinc/82/51/87/803825187.db2.gz RVKOPFJXBFRCFI-PHZGNYQRSA-N 2 1 289.423 0.646 20 30 CCEDMP N=C(c1ccccc1N)N(O)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218968983 804169775 /nfs/dbraw/zinc/16/97/75/804169775.db2.gz WPFGHXYEIDGAEZ-LBPRGKRZSA-N 2 1 291.355 0.139 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220941444 804704254 /nfs/dbraw/zinc/70/42/54/804704254.db2.gz SGBROKQTWVBNGP-HUBLWGQQSA-N 2 1 287.367 0.430 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001246058915 807135790 /nfs/dbraw/zinc/13/57/90/807135790.db2.gz HRODHPGNIVIJEO-MJBXVCDLSA-N 2 1 254.374 0.624 20 30 CCEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246834181 807400500 /nfs/dbraw/zinc/40/05/00/807400500.db2.gz NFWYTSKLWHYTOV-FQUUOJAGSA-N 2 1 260.385 0.847 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278787386 808248912 /nfs/dbraw/zinc/24/89/12/808248912.db2.gz QZMALIQJXDKOSZ-GOEBONIOSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001076254919 815267805 /nfs/dbraw/zinc/26/78/05/815267805.db2.gz ORRULOXMNXGVMG-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001264410234 809652773 /nfs/dbraw/zinc/65/27/73/809652773.db2.gz LDYNYQVPGDEWCW-MCIONIFRSA-N 2 1 263.385 0.446 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001264438952 809657041 /nfs/dbraw/zinc/65/70/41/809657041.db2.gz GOSQDHFTKLLYIP-JOCQHMNTSA-N 2 1 260.341 0.309 20 30 CCEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264454597 809658026 /nfs/dbraw/zinc/65/80/26/809658026.db2.gz FGLCVBYSBQRIDF-RRFJBIMHSA-N 2 1 277.412 0.978 20 30 CCEDMP CC[N@H+](CC#CCOC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265146035 809715327 /nfs/dbraw/zinc/71/53/27/809715327.db2.gz KFKZVZWQQOVSGA-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001265146035 809715329 /nfs/dbraw/zinc/71/53/29/809715329.db2.gz KFKZVZWQQOVSGA-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP CC[NH+](CC#CCOC)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001265146035 809715333 /nfs/dbraw/zinc/71/53/33/809715333.db2.gz KFKZVZWQQOVSGA-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP CC#CC[N@@H+](CCCNC(=O)CC[NH+](C)C)C1CC1 ZINC001265174963 809720333 /nfs/dbraw/zinc/72/03/33/809720333.db2.gz PITYVCARGQXXLJ-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265307675 809752987 /nfs/dbraw/zinc/75/29/87/809752987.db2.gz DISMVLFTOMUHHS-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265307675 809752990 /nfs/dbraw/zinc/75/29/90/809752990.db2.gz DISMVLFTOMUHHS-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP CC#CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001265377905 809767642 /nfs/dbraw/zinc/76/76/42/809767642.db2.gz DVATVRVBEDIUMC-HIFRSBDPSA-N 2 1 277.412 0.836 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265914816 809893139 /nfs/dbraw/zinc/89/31/39/809893139.db2.gz XOLQETTXUYIYEJ-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001279114531 809970478 /nfs/dbraw/zinc/97/04/78/809970478.db2.gz SARSUFQNHORKHS-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001279847351 809998719 /nfs/dbraw/zinc/99/87/19/809998719.db2.gz NXWTXSIKRLONNM-OAHLLOKOSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001267281979 811090215 /nfs/dbraw/zinc/09/02/15/811090215.db2.gz NNVGZMGATZLDLW-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+](CCC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001267312283 811136001 /nfs/dbraw/zinc/13/60/01/811136001.db2.gz VOVHHCDUVGMGKH-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[N@@H+](CCC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001267312283 811136007 /nfs/dbraw/zinc/13/60/07/811136007.db2.gz VOVHHCDUVGMGKH-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[NH+](CCC)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267312283 811136010 /nfs/dbraw/zinc/13/60/10/811136010.db2.gz VOVHHCDUVGMGKH-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[NH+](CCC)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267312283 811136014 /nfs/dbraw/zinc/13/60/14/811136014.db2.gz VOVHHCDUVGMGKH-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)[C@@H](O)C1 ZINC001083573247 815482110 /nfs/dbraw/zinc/48/21/10/815482110.db2.gz CLXAQYHJBVBDAL-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573247 815482112 /nfs/dbraw/zinc/48/21/12/815482112.db2.gz CLXAQYHJBVBDAL-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573247 815482114 /nfs/dbraw/zinc/48/21/14/815482114.db2.gz CLXAQYHJBVBDAL-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573247 815482116 /nfs/dbraw/zinc/48/21/16/815482116.db2.gz CLXAQYHJBVBDAL-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C#CCN1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001008530628 811904661 /nfs/dbraw/zinc/90/46/61/811904661.db2.gz BGWLAQRFBDUJPC-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001008530628 811904663 /nfs/dbraw/zinc/90/46/63/811904663.db2.gz BGWLAQRFBDUJPC-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008530628 811904667 /nfs/dbraw/zinc/90/46/67/811904667.db2.gz BGWLAQRFBDUJPC-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008530628 811904670 /nfs/dbraw/zinc/90/46/70/811904670.db2.gz BGWLAQRFBDUJPC-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCN(C)CCN(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001268239267 812405765 /nfs/dbraw/zinc/40/57/65/812405765.db2.gz AIMOATRMZRPQDW-ZDUSSCGKSA-N 2 1 274.368 0.469 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001268321704 812485137 /nfs/dbraw/zinc/48/51/37/812485137.db2.gz UZJUVYABJOVCQD-KGLIPLIRSA-N 2 1 283.416 0.361 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC#C)C1 ZINC001028601158 812955928 /nfs/dbraw/zinc/95/59/28/812955928.db2.gz KGRHFEOZJFVXNP-CABCVRRESA-N 2 1 273.380 0.155 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC#C)C1 ZINC001028601158 812955934 /nfs/dbraw/zinc/95/59/34/812955934.db2.gz KGRHFEOZJFVXNP-CABCVRRESA-N 2 1 273.380 0.155 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001028601158 812955938 /nfs/dbraw/zinc/95/59/38/812955938.db2.gz KGRHFEOZJFVXNP-CABCVRRESA-N 2 1 273.380 0.155 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001028601158 812955945 /nfs/dbraw/zinc/95/59/45/812955945.db2.gz KGRHFEOZJFVXNP-CABCVRRESA-N 2 1 273.380 0.155 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H](F)CC ZINC001268648701 812974752 /nfs/dbraw/zinc/97/47/52/812974752.db2.gz SREIETRWLVSQNZ-RDBSUJKOSA-N 2 1 283.391 0.926 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H](F)CC ZINC001268648701 812974758 /nfs/dbraw/zinc/97/47/58/812974758.db2.gz SREIETRWLVSQNZ-RDBSUJKOSA-N 2 1 283.391 0.926 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629257 813006909 /nfs/dbraw/zinc/00/69/09/813006909.db2.gz HYXQPQREMDMZPY-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629257 813006913 /nfs/dbraw/zinc/00/69/13/813006913.db2.gz HYXQPQREMDMZPY-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629257 813006922 /nfs/dbraw/zinc/00/69/22/813006922.db2.gz HYXQPQREMDMZPY-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629257 813006932 /nfs/dbraw/zinc/00/69/32/813006932.db2.gz HYXQPQREMDMZPY-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028995793 813734064 /nfs/dbraw/zinc/73/40/64/813734064.db2.gz URSXQCQQJKXZTG-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028995793 813734069 /nfs/dbraw/zinc/73/40/69/813734069.db2.gz URSXQCQQJKXZTG-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028995793 813734073 /nfs/dbraw/zinc/73/40/73/813734073.db2.gz URSXQCQQJKXZTG-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028995793 813734077 /nfs/dbraw/zinc/73/40/77/813734077.db2.gz URSXQCQQJKXZTG-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001270625629 813849475 /nfs/dbraw/zinc/84/94/75/813849475.db2.gz ZJHKGJQWMDNYNG-AWEZNQCLSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001087529467 814072086 /nfs/dbraw/zinc/07/20/86/814072086.db2.gz HYPFQALTKRRPLP-ZNMIVQPWSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001087529467 814072093 /nfs/dbraw/zinc/07/20/93/814072093.db2.gz HYPFQALTKRRPLP-ZNMIVQPWSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1CC ZINC001087529467 814072095 /nfs/dbraw/zinc/07/20/95/814072095.db2.gz HYPFQALTKRRPLP-ZNMIVQPWSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1CC ZINC001087529467 814072101 /nfs/dbraw/zinc/07/21/01/814072101.db2.gz HYPFQALTKRRPLP-ZNMIVQPWSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087828327 814227074 /nfs/dbraw/zinc/22/70/74/814227074.db2.gz IEMSCFNUUKBZFL-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087828327 814227079 /nfs/dbraw/zinc/22/70/79/814227079.db2.gz IEMSCFNUUKBZFL-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087828327 814227082 /nfs/dbraw/zinc/22/70/82/814227082.db2.gz IEMSCFNUUKBZFL-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[NH+]1CCOC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001280422086 814569593 /nfs/dbraw/zinc/56/95/93/814569593.db2.gz VGSZSGHPXHBUCG-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCOC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001280422086 814569600 /nfs/dbraw/zinc/56/96/00/814569600.db2.gz VGSZSGHPXHBUCG-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001280422086 814569607 /nfs/dbraw/zinc/56/96/07/814569607.db2.gz VGSZSGHPXHBUCG-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001280422086 814569615 /nfs/dbraw/zinc/56/96/15/814569615.db2.gz VGSZSGHPXHBUCG-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001088286710 814574830 /nfs/dbraw/zinc/57/48/30/814574830.db2.gz HLOAXWZXNWEGML-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001088286710 814574835 /nfs/dbraw/zinc/57/48/35/814574835.db2.gz HLOAXWZXNWEGML-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001272049739 814882342 /nfs/dbraw/zinc/88/23/42/814882342.db2.gz SVSRKQDPXGCLNU-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001272049739 814882353 /nfs/dbraw/zinc/88/23/53/814882353.db2.gz SVSRKQDPXGCLNU-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272049739 814882360 /nfs/dbraw/zinc/88/23/60/814882360.db2.gz SVSRKQDPXGCLNU-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001272049739 814882366 /nfs/dbraw/zinc/88/23/66/814882366.db2.gz SVSRKQDPXGCLNU-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001168385480 815703967 /nfs/dbraw/zinc/70/39/67/815703967.db2.gz OZRSMAJWAXDJOW-UHFFFAOYSA-N 2 1 295.427 0.608 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCc2ncc[nH]2)[C@H](OC)C1 ZINC001212199301 816636039 /nfs/dbraw/zinc/63/60/39/816636039.db2.gz UENMKKSYRSBGOB-CHWSQXEVSA-N 2 1 292.383 0.734 20 30 CCEDMP C=C(C)CN1C[C@@H](NC(=O)CCc2ncc[nH]2)[C@H](OC)C1 ZINC001212199301 816636043 /nfs/dbraw/zinc/63/60/43/816636043.db2.gz UENMKKSYRSBGOB-CHWSQXEVSA-N 2 1 292.383 0.734 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)COC)C1 ZINC001031742400 817307328 /nfs/dbraw/zinc/30/73/28/817307328.db2.gz DKYBUUGXYCXZDA-ZFWWWQNUSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)COC)C1 ZINC001031742400 817307334 /nfs/dbraw/zinc/30/73/34/817307334.db2.gz DKYBUUGXYCXZDA-ZFWWWQNUSA-N 2 1 293.411 0.167 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001032197742 817695140 /nfs/dbraw/zinc/69/51/40/817695140.db2.gz UQUUZCKZANGGGZ-CQSZACIVSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001032197742 817695143 /nfs/dbraw/zinc/69/51/43/817695143.db2.gz UQUUZCKZANGGGZ-CQSZACIVSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001032205620 817701401 /nfs/dbraw/zinc/70/14/01/817701401.db2.gz CYQVQNAIASJVEL-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594866 818843260 /nfs/dbraw/zinc/84/32/60/818843260.db2.gz RTUJVJBQGUSCTQ-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033666813 818873770 /nfs/dbraw/zinc/87/37/70/818873770.db2.gz ZTDNYDNJGLKCKD-CYBMUJFWSA-N 2 1 251.374 0.801 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033666825 818874959 /nfs/dbraw/zinc/87/49/59/818874959.db2.gz AQMIABDNJNBAHY-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033666825 818874964 /nfs/dbraw/zinc/87/49/64/818874964.db2.gz AQMIABDNJNBAHY-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001033670373 818878975 /nfs/dbraw/zinc/87/89/75/818878975.db2.gz AUXIOHBRWIKYMQ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001033670373 818878978 /nfs/dbraw/zinc/87/89/78/818878978.db2.gz AUXIOHBRWIKYMQ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033670373 818878980 /nfs/dbraw/zinc/87/89/80/818878980.db2.gz AUXIOHBRWIKYMQ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033670373 818878983 /nfs/dbraw/zinc/87/89/83/818878983.db2.gz AUXIOHBRWIKYMQ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001033672881 818879158 /nfs/dbraw/zinc/87/91/58/818879158.db2.gz SUVZTFOURYNCJW-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001033672881 818879161 /nfs/dbraw/zinc/87/91/61/818879161.db2.gz SUVZTFOURYNCJW-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033672881 818879164 /nfs/dbraw/zinc/87/91/64/818879164.db2.gz SUVZTFOURYNCJW-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033672881 818879167 /nfs/dbraw/zinc/87/91/67/818879167.db2.gz SUVZTFOURYNCJW-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001033681113 818884861 /nfs/dbraw/zinc/88/48/61/818884861.db2.gz RUQSTHRNIJSEHD-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001033681113 818884864 /nfs/dbraw/zinc/88/48/64/818884864.db2.gz RUQSTHRNIJSEHD-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001033681113 818884871 /nfs/dbraw/zinc/88/48/71/818884871.db2.gz RUQSTHRNIJSEHD-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033681113 818884881 /nfs/dbraw/zinc/88/48/81/818884881.db2.gz RUQSTHRNIJSEHD-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080940058 820658381 /nfs/dbraw/zinc/65/83/81/820658381.db2.gz VTKGLJVMTZGNQF-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080940058 820658387 /nfs/dbraw/zinc/65/83/87/820658387.db2.gz VTKGLJVMTZGNQF-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080940058 820658394 /nfs/dbraw/zinc/65/83/94/820658394.db2.gz VTKGLJVMTZGNQF-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001080977181 820661547 /nfs/dbraw/zinc/66/15/47/820661547.db2.gz ZQBXTGGUKWALCF-KFWWJZLASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001080977181 820661551 /nfs/dbraw/zinc/66/15/51/820661551.db2.gz ZQBXTGGUKWALCF-KFWWJZLASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080977181 820661556 /nfs/dbraw/zinc/66/15/56/820661556.db2.gz ZQBXTGGUKWALCF-KFWWJZLASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080977181 820661565 /nfs/dbraw/zinc/66/15/65/820661565.db2.gz ZQBXTGGUKWALCF-KFWWJZLASA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699472 820826380 /nfs/dbraw/zinc/82/63/80/820826380.db2.gz XYKUJUJUKHTEAW-GBJTYRQASA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699472 820826391 /nfs/dbraw/zinc/82/63/91/820826391.db2.gz XYKUJUJUKHTEAW-GBJTYRQASA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699472 820826402 /nfs/dbraw/zinc/82/64/02/820826402.db2.gz XYKUJUJUKHTEAW-GBJTYRQASA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699472 820826415 /nfs/dbraw/zinc/82/64/15/820826415.db2.gz XYKUJUJUKHTEAW-GBJTYRQASA-N 2 1 295.427 0.718 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406534 821287726 /nfs/dbraw/zinc/28/77/26/821287726.db2.gz RLUVWCBQDOFWGU-BZUAXINKSA-N 2 1 289.423 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084775393 821387567 /nfs/dbraw/zinc/38/75/67/821387567.db2.gz FBEMEGLQDJVNNB-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084775393 821387578 /nfs/dbraw/zinc/38/75/78/821387578.db2.gz FBEMEGLQDJVNNB-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084775393 821387589 /nfs/dbraw/zinc/38/75/89/821387589.db2.gz FBEMEGLQDJVNNB-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001231214660 821510513 /nfs/dbraw/zinc/51/05/13/821510513.db2.gz BSRRDQKDGITQRB-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001231214660 821510520 /nfs/dbraw/zinc/51/05/20/821510520.db2.gz BSRRDQKDGITQRB-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001231214660 821510524 /nfs/dbraw/zinc/51/05/24/821510524.db2.gz BSRRDQKDGITQRB-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001231214660 821510529 /nfs/dbraw/zinc/51/05/29/821510529.db2.gz BSRRDQKDGITQRB-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085602619 821844275 /nfs/dbraw/zinc/84/42/75/821844275.db2.gz GQCCQVIKIMFEDL-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001085602619 821844283 /nfs/dbraw/zinc/84/42/83/821844283.db2.gz GQCCQVIKIMFEDL-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001085602619 821844290 /nfs/dbraw/zinc/84/42/90/821844290.db2.gz GQCCQVIKIMFEDL-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001085602619 821844300 /nfs/dbraw/zinc/84/43/00/821844300.db2.gz GQCCQVIKIMFEDL-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968242 822042422 /nfs/dbraw/zinc/04/24/22/822042422.db2.gz FOQLTSADTOYWHI-QWHCGFSZSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968242 822042434 /nfs/dbraw/zinc/04/24/34/822042434.db2.gz FOQLTSADTOYWHI-QWHCGFSZSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085968242 822042439 /nfs/dbraw/zinc/04/24/39/822042439.db2.gz FOQLTSADTOYWHI-QWHCGFSZSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085968242 822042448 /nfs/dbraw/zinc/04/24/48/822042448.db2.gz FOQLTSADTOYWHI-QWHCGFSZSA-N 2 1 251.374 0.657 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086177168 822143999 /nfs/dbraw/zinc/14/39/99/822143999.db2.gz JICKKQWVTRCXKD-QLFBSQMISA-N 2 1 293.411 0.213 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001086197757 822151260 /nfs/dbraw/zinc/15/12/60/822151260.db2.gz ZMGQXNLJQYDZTP-YIYPIFLZSA-N 2 1 263.385 0.302 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001086390309 822235001 /nfs/dbraw/zinc/23/50/01/822235001.db2.gz MYYFJMHGMQTWKG-KKUMJFAQSA-N 2 1 273.380 0.202 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001086390309 822235003 /nfs/dbraw/zinc/23/50/03/822235003.db2.gz MYYFJMHGMQTWKG-KKUMJFAQSA-N 2 1 273.380 0.202 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086412211 822243338 /nfs/dbraw/zinc/24/33/38/822243338.db2.gz PMGJUABAAVVZTL-HAQNSBGRSA-N 2 1 290.367 0.467 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100082690 822252750 /nfs/dbraw/zinc/25/27/50/822252750.db2.gz GYSGSTJMCOKPMQ-HUUCEWRRSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082690 822252756 /nfs/dbraw/zinc/25/27/56/822252756.db2.gz GYSGSTJMCOKPMQ-HUUCEWRRSA-N 2 1 295.427 0.293 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110686 822308796 /nfs/dbraw/zinc/30/87/96/822308796.db2.gz ZORIITGPWZIELW-LSDHHAIUSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@@H](C)F ZINC001129770826 837558850 /nfs/dbraw/zinc/55/88/50/837558850.db2.gz LMSRYKJPDQVMNG-OLZOCXBDSA-N 2 1 269.364 0.538 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@@H](C)F ZINC001129770826 837558858 /nfs/dbraw/zinc/55/88/58/837558858.db2.gz LMSRYKJPDQVMNG-OLZOCXBDSA-N 2 1 269.364 0.538 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182463 837717471 /nfs/dbraw/zinc/71/74/71/837717471.db2.gz JAOQFDHRYSLGSB-MGPQQGTHSA-N 2 1 283.416 0.766 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182463 837717473 /nfs/dbraw/zinc/71/74/73/837717473.db2.gz JAOQFDHRYSLGSB-MGPQQGTHSA-N 2 1 283.416 0.766 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130189087 837718909 /nfs/dbraw/zinc/71/89/09/837718909.db2.gz NCWUQHIPQXPLNG-ZIAGYGMSSA-N 2 1 263.385 0.732 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183648073 844054133 /nfs/dbraw/zinc/05/41/33/844054133.db2.gz ODYMSNUUBQZURK-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CCN1CCO[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001108420917 836046704 /nfs/dbraw/zinc/04/67/04/836046704.db2.gz CGBUWXHHZLCHSS-MRXNPFEDSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184311033 844199647 /nfs/dbraw/zinc/19/96/47/844199647.db2.gz XKCSKWHPSKGZQV-CYBMUJFWSA-N 2 1 260.341 0.405 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132272798 838352552 /nfs/dbraw/zinc/35/25/52/838352552.db2.gz BSPPTTVAFXBVTP-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C=C[C@@H](O)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001253582329 849555777 /nfs/dbraw/zinc/55/57/77/849555777.db2.gz NWZSQYFMRKBSRZ-GFCCVEGCSA-N 2 1 258.362 0.350 20 30 CCEDMP C=C[C@@H](O)C[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001253582329 849555780 /nfs/dbraw/zinc/55/57/80/849555780.db2.gz NWZSQYFMRKBSRZ-GFCCVEGCSA-N 2 1 258.362 0.350 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102863 839162581 /nfs/dbraw/zinc/16/25/81/839162581.db2.gz PMILORVGOXYNRL-CABCVRRESA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001185724228 844453937 /nfs/dbraw/zinc/45/39/37/844453937.db2.gz VHNAJGRXGGNCLH-CYBMUJFWSA-N 2 1 265.401 0.788 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090538415 839625839 /nfs/dbraw/zinc/62/58/39/839625839.db2.gz QUMHVFPUGWLYNP-LSDHHAIUSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCCOC1 ZINC001246308360 839780027 /nfs/dbraw/zinc/78/00/27/839780027.db2.gz QBBLDLGNJQIGBY-OLZOCXBDSA-N 2 1 270.373 0.982 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001091201376 840131596 /nfs/dbraw/zinc/13/15/96/840131596.db2.gz PLKDDYXSFYFEQN-LQULJDIASA-N 2 1 277.412 0.834 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605399 840843152 /nfs/dbraw/zinc/84/31/52/840843152.db2.gz QYASXHUYUNBOTN-UHFFFAOYSA-N 2 1 281.400 0.285 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899700 840958447 /nfs/dbraw/zinc/95/84/47/840958447.db2.gz XBSGJYPCMNNMDZ-ZIAGYGMSSA-N 2 1 295.427 0.291 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899700 840958451 /nfs/dbraw/zinc/95/84/51/840958451.db2.gz XBSGJYPCMNNMDZ-ZIAGYGMSSA-N 2 1 295.427 0.291 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899700 840958458 /nfs/dbraw/zinc/95/84/58/840958458.db2.gz XBSGJYPCMNNMDZ-ZIAGYGMSSA-N 2 1 295.427 0.291 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725765 841067754 /nfs/dbraw/zinc/06/77/54/841067754.db2.gz ZRIUUCGWESYGDE-KBUPBQIOSA-N 2 1 295.427 0.576 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725765 841067766 /nfs/dbraw/zinc/06/77/66/841067766.db2.gz ZRIUUCGWESYGDE-KBUPBQIOSA-N 2 1 295.427 0.576 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725765 841067777 /nfs/dbraw/zinc/06/77/77/841067777.db2.gz ZRIUUCGWESYGDE-KBUPBQIOSA-N 2 1 295.427 0.576 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725765 841067789 /nfs/dbraw/zinc/06/77/89/841067789.db2.gz ZRIUUCGWESYGDE-KBUPBQIOSA-N 2 1 295.427 0.576 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773666 841192442 /nfs/dbraw/zinc/19/24/42/841192442.db2.gz QOSMWIPHIWBMTG-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773666 841192445 /nfs/dbraw/zinc/19/24/45/841192445.db2.gz QOSMWIPHIWBMTG-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001095057755 842018193 /nfs/dbraw/zinc/01/81/93/842018193.db2.gz UDUXCTYJAXDHFF-KKUMJFAQSA-N 2 1 286.379 0.794 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176636265 842394533 /nfs/dbraw/zinc/39/45/33/842394533.db2.gz NDMAMGYGOWZCTC-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176636265 842394538 /nfs/dbraw/zinc/39/45/38/842394538.db2.gz NDMAMGYGOWZCTC-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180138296 843104671 /nfs/dbraw/zinc/10/46/71/843104671.db2.gz AMVUYCXFEFGORY-IHRRRGAJSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180138926 843105670 /nfs/dbraw/zinc/10/56/70/843105670.db2.gz RMGYNLFLUYBRHH-ZNMIVQPWSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CCCC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273542774 844734775 /nfs/dbraw/zinc/73/47/75/844734775.db2.gz ZPIZGZZQFJSTOU-MRXNPFEDSA-N 2 1 293.411 0.265 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187824967 844776887 /nfs/dbraw/zinc/77/68/87/844776887.db2.gz DQKYOJANSUEPCP-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189400930 845131845 /nfs/dbraw/zinc/13/18/45/845131845.db2.gz QONNSNJGQRZZCM-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189400930 845131849 /nfs/dbraw/zinc/13/18/49/845131849.db2.gz QONNSNJGQRZZCM-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189400930 845131855 /nfs/dbraw/zinc/13/18/55/845131855.db2.gz QONNSNJGQRZZCM-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCF)C1 ZINC001190724232 845477362 /nfs/dbraw/zinc/47/73/62/845477362.db2.gz LBSVOWPDGPMHPJ-GJZGRUSLSA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCF)C1 ZINC001190724232 845477363 /nfs/dbraw/zinc/47/73/63/845477363.db2.gz LBSVOWPDGPMHPJ-GJZGRUSLSA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCF)C1 ZINC001190724232 845477366 /nfs/dbraw/zinc/47/73/66/845477366.db2.gz LBSVOWPDGPMHPJ-GJZGRUSLSA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCF)C1 ZINC001190724232 845477370 /nfs/dbraw/zinc/47/73/70/845477370.db2.gz LBSVOWPDGPMHPJ-GJZGRUSLSA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCF)C1 ZINC001190724232 845477374 /nfs/dbraw/zinc/47/73/74/845477374.db2.gz LBSVOWPDGPMHPJ-GJZGRUSLSA-N 2 1 295.402 0.976 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2CC#C)C1 ZINC001190722947 845477549 /nfs/dbraw/zinc/47/75/49/845477549.db2.gz HAKUGIHEVAFVMW-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001190722947 845477557 /nfs/dbraw/zinc/47/75/57/845477557.db2.gz HAKUGIHEVAFVMW-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001190722947 845477562 /nfs/dbraw/zinc/47/75/62/845477562.db2.gz HAKUGIHEVAFVMW-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001190722947 845477567 /nfs/dbraw/zinc/47/75/67/845477567.db2.gz HAKUGIHEVAFVMW-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001190722947 845477571 /nfs/dbraw/zinc/47/75/71/845477571.db2.gz HAKUGIHEVAFVMW-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192141498 845797655 /nfs/dbraw/zinc/79/76/55/845797655.db2.gz CKHRONPBCODYBY-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193447153 846075489 /nfs/dbraw/zinc/07/54/89/846075489.db2.gz KZHXRMWBFHTCKR-JHJVBQTASA-N 2 1 287.379 0.014 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193447153 846075496 /nfs/dbraw/zinc/07/54/96/846075496.db2.gz KZHXRMWBFHTCKR-JHJVBQTASA-N 2 1 287.379 0.014 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194284536 846266970 /nfs/dbraw/zinc/26/69/70/846266970.db2.gz HZUJNGALDYMICQ-CYBMUJFWSA-N 2 1 251.374 0.493 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284536 846266985 /nfs/dbraw/zinc/26/69/85/846266985.db2.gz HZUJNGALDYMICQ-CYBMUJFWSA-N 2 1 251.374 0.493 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284536 846266993 /nfs/dbraw/zinc/26/69/93/846266993.db2.gz HZUJNGALDYMICQ-CYBMUJFWSA-N 2 1 251.374 0.493 20 30 CCEDMP COCC#CCN1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001198097769 847042345 /nfs/dbraw/zinc/04/23/45/847042345.db2.gz HDLHMHNXBBPOJS-HNNXBMFYSA-N 2 1 293.411 0.122 20 30 CCEDMP COCC#CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097769 847042347 /nfs/dbraw/zinc/04/23/47/847042347.db2.gz HDLHMHNXBBPOJS-HNNXBMFYSA-N 2 1 293.411 0.122 20 30 CCEDMP COCC#CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097769 847042353 /nfs/dbraw/zinc/04/23/53/847042353.db2.gz HDLHMHNXBBPOJS-HNNXBMFYSA-N 2 1 293.411 0.122 20 30 CCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001198097769 847042356 /nfs/dbraw/zinc/04/23/56/847042356.db2.gz HDLHMHNXBBPOJS-HNNXBMFYSA-N 2 1 293.411 0.122 20 30 CCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001198097769 847042363 /nfs/dbraw/zinc/04/23/63/847042363.db2.gz HDLHMHNXBBPOJS-HNNXBMFYSA-N 2 1 293.411 0.122 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200122091 847553754 /nfs/dbraw/zinc/55/37/54/847553754.db2.gz BFLWFEMVNQBUSY-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056814 847851483 /nfs/dbraw/zinc/85/14/83/847851483.db2.gz BWEOZOIFBQMAPK-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C[NH+](C)CCN1CCC2(CC[NH+](CCC#N)CC2)C1=O ZINC001274031197 848312486 /nfs/dbraw/zinc/31/24/86/848312486.db2.gz JVSQPKVZQZIZBH-UHFFFAOYSA-N 2 1 278.400 0.776 20 30 CCEDMP C=CC[NH2+]CC1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001275299401 848687919 /nfs/dbraw/zinc/68/79/19/848687919.db2.gz TUGRARXEHZGZDK-UHFFFAOYSA-N 2 1 281.400 0.379 20 30 CCEDMP C#CC[NH2+]C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001275381645 848705295 /nfs/dbraw/zinc/70/52/95/848705295.db2.gz DMLUINRUXZSLFZ-LBPRGKRZSA-N 2 1 283.335 0.608 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001275405939 848711538 /nfs/dbraw/zinc/71/15/38/848711538.db2.gz ILBJSAOSZGDCLS-QWHCGFSZSA-N 2 1 253.390 0.999 20 30 CCEDMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001276003803 848888014 /nfs/dbraw/zinc/88/80/14/848888014.db2.gz UGGVYFAPHRTOFP-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]([NH3+])CCCC#N ZINC000720886987 849559106 /nfs/dbraw/zinc/55/91/06/849559106.db2.gz HTXNFQXPRRYZII-YNEHKIRRSA-N 2 1 264.373 0.703 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038663177 849973145 /nfs/dbraw/zinc/97/31/45/849973145.db2.gz MPDJWNFRVGBCIT-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046322903 851464741 /nfs/dbraw/zinc/46/47/41/851464741.db2.gz DMEDUUYXJBOUKF-NVXWUHKLSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001047429301 851762214 /nfs/dbraw/zinc/76/22/14/851762214.db2.gz SJIMEXKKXUUHJH-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047429301 851762221 /nfs/dbraw/zinc/76/22/21/851762221.db2.gz SJIMEXKKXUUHJH-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047429301 851762224 /nfs/dbraw/zinc/76/22/24/851762224.db2.gz SJIMEXKKXUUHJH-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001047429301 851762231 /nfs/dbraw/zinc/76/22/31/851762231.db2.gz SJIMEXKKXUUHJH-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001047429301 851762233 /nfs/dbraw/zinc/76/22/33/851762233.db2.gz SJIMEXKKXUUHJH-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048721287 852034309 /nfs/dbraw/zinc/03/43/09/852034309.db2.gz ZRMSRVMXHLDAMK-MJBXVCDLSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048721287 852034305 /nfs/dbraw/zinc/03/43/05/852034305.db2.gz ZRMSRVMXHLDAMK-MJBXVCDLSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048721287 852034312 /nfs/dbraw/zinc/03/43/12/852034312.db2.gz ZRMSRVMXHLDAMK-MJBXVCDLSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001048897069 852101962 /nfs/dbraw/zinc/10/19/62/852101962.db2.gz PQHYYPPYTACCOA-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048897069 852101968 /nfs/dbraw/zinc/10/19/68/852101968.db2.gz PQHYYPPYTACCOA-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048897069 852101971 /nfs/dbraw/zinc/10/19/71/852101971.db2.gz PQHYYPPYTACCOA-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049024787 852140050 /nfs/dbraw/zinc/14/00/50/852140050.db2.gz BSUNADLTZQMOPU-GASCZTMLSA-N 2 1 275.396 0.352 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059759 852153976 /nfs/dbraw/zinc/15/39/76/852153976.db2.gz FWQDFHWGICPXQV-XQLPTFJDSA-N 2 1 277.412 0.760 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059759 852153980 /nfs/dbraw/zinc/15/39/80/852153980.db2.gz FWQDFHWGICPXQV-XQLPTFJDSA-N 2 1 277.412 0.760 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059759 852153984 /nfs/dbraw/zinc/15/39/84/852153984.db2.gz FWQDFHWGICPXQV-XQLPTFJDSA-N 2 1 277.412 0.760 20 30 CCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001096543278 852302489 /nfs/dbraw/zinc/30/24/89/852302489.db2.gz NLFYSDRKCSUXFG-MQYQWHSLSA-N 2 1 263.385 0.846 20 30 CCEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001096543278 852302495 /nfs/dbraw/zinc/30/24/95/852302495.db2.gz NLFYSDRKCSUXFG-MQYQWHSLSA-N 2 1 263.385 0.846 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001096543278 852302500 /nfs/dbraw/zinc/30/25/00/852302500.db2.gz NLFYSDRKCSUXFG-MQYQWHSLSA-N 2 1 263.385 0.846 20 30 CCEDMP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001097100387 852500491 /nfs/dbraw/zinc/50/04/91/852500491.db2.gz NQMOKYIMSSTLKC-RYPNDVFKSA-N 2 1 275.396 0.681 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001097100387 852500495 /nfs/dbraw/zinc/50/04/95/852500495.db2.gz NQMOKYIMSSTLKC-RYPNDVFKSA-N 2 1 275.396 0.681 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001097100387 852500501 /nfs/dbraw/zinc/50/05/01/852500501.db2.gz NQMOKYIMSSTLKC-RYPNDVFKSA-N 2 1 275.396 0.681 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001097100387 852500504 /nfs/dbraw/zinc/50/05/04/852500504.db2.gz NQMOKYIMSSTLKC-RYPNDVFKSA-N 2 1 275.396 0.681 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001097100387 852500508 /nfs/dbraw/zinc/50/05/08/852500508.db2.gz NQMOKYIMSSTLKC-RYPNDVFKSA-N 2 1 275.396 0.681 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)CC[NH2+]C(C)(C)C ZINC000392769438 854094876 /nfs/dbraw/zinc/09/48/76/854094876.db2.gz QPKBUZPJERYSMV-UHFFFAOYSA-N 2 1 253.390 0.836 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072814459 854470920 /nfs/dbraw/zinc/47/09/20/854470920.db2.gz FQWSJTHIWBSPAF-OAHLLOKOSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001072940360 854497890 /nfs/dbraw/zinc/49/78/90/854497890.db2.gz XGAZQTNVFAIBCM-UHFFFAOYSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC)CCCO1 ZINC001073640134 854623330 /nfs/dbraw/zinc/62/33/30/854623330.db2.gz WXMFEWSFVBUZTQ-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC)CCCO1 ZINC001073640134 854623336 /nfs/dbraw/zinc/62/33/36/854623336.db2.gz WXMFEWSFVBUZTQ-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC)CCCO1 ZINC001073640134 854623341 /nfs/dbraw/zinc/62/33/41/854623341.db2.gz WXMFEWSFVBUZTQ-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC)CCCO1 ZINC001073640134 854623346 /nfs/dbraw/zinc/62/33/46/854623346.db2.gz WXMFEWSFVBUZTQ-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073891314 854659595 /nfs/dbraw/zinc/65/95/95/854659595.db2.gz OHQZRXKUGXEMIK-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073891314 854659597 /nfs/dbraw/zinc/65/95/97/854659597.db2.gz OHQZRXKUGXEMIK-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073891314 854659601 /nfs/dbraw/zinc/65/96/01/854659601.db2.gz OHQZRXKUGXEMIK-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100066097 855090740 /nfs/dbraw/zinc/09/07/40/855090740.db2.gz CAIYWLFMIUFCEY-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100066097 855090745 /nfs/dbraw/zinc/09/07/45/855090745.db2.gz CAIYWLFMIUFCEY-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100066097 855090750 /nfs/dbraw/zinc/09/07/50/855090750.db2.gz CAIYWLFMIUFCEY-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100212176 855120697 /nfs/dbraw/zinc/12/06/97/855120697.db2.gz RUXJTBLWTCQATP-JXQTWKCFSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100212176 855120700 /nfs/dbraw/zinc/12/07/00/855120700.db2.gz RUXJTBLWTCQATP-JXQTWKCFSA-N 2 1 281.400 0.378 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342559 855284022 /nfs/dbraw/zinc/28/40/22/855284022.db2.gz AAMGHNNJOCNIRF-ZBFHGGJFSA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511430 855442469 /nfs/dbraw/zinc/44/24/69/855442469.db2.gz XAYBDZRQLSBQOX-ZIAGYGMSSA-N 2 1 283.416 0.435 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818895 855472741 /nfs/dbraw/zinc/47/27/41/855472741.db2.gz LPKYBIAOUTYEFJ-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818895 855472743 /nfs/dbraw/zinc/47/27/43/855472743.db2.gz LPKYBIAOUTYEFJ-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818895 855472747 /nfs/dbraw/zinc/47/27/47/855472747.db2.gz LPKYBIAOUTYEFJ-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102818895 855472748 /nfs/dbraw/zinc/47/27/48/855472748.db2.gz LPKYBIAOUTYEFJ-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241042 855653878 /nfs/dbraw/zinc/65/38/78/855653878.db2.gz ATYPXNPLRHVGON-FOLVSLTJSA-N 2 1 293.411 0.331 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)CCN1CCOCC1 ZINC001323320974 912263976 /nfs/dbraw/zinc/26/39/76/912263976.db2.gz YETBWYHDNGCCML-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001323320974 912263992 /nfs/dbraw/zinc/26/39/92/912263992.db2.gz YETBWYHDNGCCML-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001323320974 912264008 /nfs/dbraw/zinc/26/40/08/912264008.db2.gz YETBWYHDNGCCML-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001325866334 913618772 /nfs/dbraw/zinc/61/87/72/913618772.db2.gz VPNICYIFQCFSDU-ZBFHGGJFSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001325866334 913618780 /nfs/dbraw/zinc/61/87/80/913618780.db2.gz VPNICYIFQCFSDU-ZBFHGGJFSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001325866334 913618790 /nfs/dbraw/zinc/61/87/90/913618790.db2.gz VPNICYIFQCFSDU-ZBFHGGJFSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001481107397 892172084 /nfs/dbraw/zinc/17/20/84/892172084.db2.gz ANMMHLPRACHWKQ-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481648089 892964170 /nfs/dbraw/zinc/96/41/70/892964170.db2.gz MCTMKIXMKSAUAU-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001481798753 893163087 /nfs/dbraw/zinc/16/30/87/893163087.db2.gz UJJDQYAWGJWYRU-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001481798753 893163096 /nfs/dbraw/zinc/16/30/96/893163096.db2.gz UJJDQYAWGJWYRU-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001481913417 893257116 /nfs/dbraw/zinc/25/71/16/893257116.db2.gz ZNTNEUPPRBSOFT-CQSZACIVSA-N 2 1 295.427 0.912 20 30 CCEDMP C=CC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001481913417 893257134 /nfs/dbraw/zinc/25/71/34/893257134.db2.gz ZNTNEUPPRBSOFT-CQSZACIVSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCOC ZINC001482109399 893397821 /nfs/dbraw/zinc/39/78/21/893397821.db2.gz CQUNGPFBGNZIHI-KGLIPLIRSA-N 2 1 281.400 0.072 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCOC ZINC001482109399 893397836 /nfs/dbraw/zinc/39/78/36/893397836.db2.gz CQUNGPFBGNZIHI-KGLIPLIRSA-N 2 1 281.400 0.072 20 30 CCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482623164 894426342 /nfs/dbraw/zinc/42/63/42/894426342.db2.gz VJHJQKVGYGRVQO-UHFFFAOYSA-N 2 1 295.427 0.368 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483217312 895124578 /nfs/dbraw/zinc/12/45/78/895124578.db2.gz PZGOYUDEWIKJCT-STQMWFEESA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483217312 895124590 /nfs/dbraw/zinc/12/45/90/895124590.db2.gz PZGOYUDEWIKJCT-STQMWFEESA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001483275069 895403906 /nfs/dbraw/zinc/40/39/06/895403906.db2.gz UJMJRZLETDTWAS-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001483410355 895547281 /nfs/dbraw/zinc/54/72/81/895547281.db2.gz VHVAWTSIEMLTJM-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483410355 895547296 /nfs/dbraw/zinc/54/72/96/895547296.db2.gz VHVAWTSIEMLTJM-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483410355 895547303 /nfs/dbraw/zinc/54/73/03/895547303.db2.gz VHVAWTSIEMLTJM-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001483572159 895655719 /nfs/dbraw/zinc/65/57/19/895655719.db2.gz VHJCMORZTHXBMC-UONOGXRCSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC=C)CC1 ZINC001483742373 895974528 /nfs/dbraw/zinc/97/45/28/895974528.db2.gz JHBWCXCLAZRHOV-AWEZNQCLSA-N 2 1 275.396 0.899 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC=C)CC1 ZINC001483742373 895974535 /nfs/dbraw/zinc/97/45/35/895974535.db2.gz JHBWCXCLAZRHOV-AWEZNQCLSA-N 2 1 275.396 0.899 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001483773036 896040024 /nfs/dbraw/zinc/04/00/24/896040024.db2.gz JGMHEMXWUJXOJZ-UHFFFAOYSA-N 2 1 274.368 0.878 20 30 CCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001484246265 896276163 /nfs/dbraw/zinc/27/61/63/896276163.db2.gz HTNKYSHEQNXUOL-DZGCQCFKSA-N 2 1 281.400 0.067 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001484619266 896501793 /nfs/dbraw/zinc/50/17/93/896501793.db2.gz JQTIEGJYBGBOGK-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001484765528 896594112 /nfs/dbraw/zinc/59/41/12/896594112.db2.gz IOBHHFNPDRMHRY-CYBMUJFWSA-N 2 1 253.390 0.740 20 30 CCEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484927904 896667746 /nfs/dbraw/zinc/66/77/46/896667746.db2.gz ZBEXARRZVODRGC-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001485157687 896827366 /nfs/dbraw/zinc/82/73/66/896827366.db2.gz MWUDELZLCBZOJA-STQMWFEESA-N 2 1 265.401 0.977 20 30 CCEDMP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001485157683 896827856 /nfs/dbraw/zinc/82/78/56/896827856.db2.gz MWUDELZLCBZOJA-CHWSQXEVSA-N 2 1 265.401 0.977 20 30 CCEDMP C=CC[NH+](C)CCOCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485773023 897241561 /nfs/dbraw/zinc/24/15/61/897241561.db2.gz OVZKPITTYWKLQE-ZIAGYGMSSA-N 2 1 283.416 0.577 20 30 CCEDMP C=CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485773023 897241573 /nfs/dbraw/zinc/24/15/73/897241573.db2.gz OVZKPITTYWKLQE-ZIAGYGMSSA-N 2 1 283.416 0.577 20 30 CCEDMP C=CC[N@H+](C)CCOCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485773023 897241591 /nfs/dbraw/zinc/24/15/91/897241591.db2.gz OVZKPITTYWKLQE-ZIAGYGMSSA-N 2 1 283.416 0.577 20 30 CCEDMP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C1CCC1 ZINC001032447792 897573239 /nfs/dbraw/zinc/57/32/39/897573239.db2.gz ZRYDEJKEUCDMMD-KBPBESRZSA-N 2 1 263.385 0.942 20 30 CCEDMP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C1CCC1 ZINC001032447465 897574858 /nfs/dbraw/zinc/57/48/58/897574858.db2.gz LYAWHPRYBLVTEU-KBPBESRZSA-N 2 1 261.369 0.389 20 30 CCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001032626123 897845712 /nfs/dbraw/zinc/84/57/12/897845712.db2.gz YYYWMRVNSWHYIG-IHRRRGAJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001032626123 897845719 /nfs/dbraw/zinc/84/57/19/897845719.db2.gz YYYWMRVNSWHYIG-IHRRRGAJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001032626123 897845726 /nfs/dbraw/zinc/84/57/26/897845726.db2.gz YYYWMRVNSWHYIG-IHRRRGAJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001032626123 897845733 /nfs/dbraw/zinc/84/57/33/897845733.db2.gz YYYWMRVNSWHYIG-IHRRRGAJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486312381 898789484 /nfs/dbraw/zinc/78/94/84/898789484.db2.gz YLMPGXGYLULJLV-GJZGRUSLSA-N 2 1 297.443 0.703 20 30 CCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001486520930 898918932 /nfs/dbraw/zinc/91/89/32/898918932.db2.gz KITWWSOAUBHMJH-UHFFFAOYSA-N 2 1 275.396 0.854 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001488954695 900420031 /nfs/dbraw/zinc/42/00/31/900420031.db2.gz KXGKQDWHJFLMBE-SOUVJXGZSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001490569914 900667961 /nfs/dbraw/zinc/66/79/61/900667961.db2.gz LRYUQDBSLSWFAQ-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001490569913 900669116 /nfs/dbraw/zinc/66/91/16/900669116.db2.gz LRYUQDBSLSWFAQ-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001490857336 902176889 /nfs/dbraw/zinc/17/68/89/902176889.db2.gz HDUCHGXTJWIKJY-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491118351 903381729 /nfs/dbraw/zinc/38/17/29/903381729.db2.gz OVMMETCUNFJWRK-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316612415 904311553 /nfs/dbraw/zinc/31/15/53/904311553.db2.gz HCEGDXSPQBOOOV-QLFBSQMISA-N 2 1 293.411 0.215 20 30 CCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001284515210 905349949 /nfs/dbraw/zinc/34/99/49/905349949.db2.gz BFRLEHQLSHLDHY-GJZGRUSLSA-N 2 1 295.427 0.103 20 30 CCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001284515210 905349963 /nfs/dbraw/zinc/34/99/63/905349963.db2.gz BFRLEHQLSHLDHY-GJZGRUSLSA-N 2 1 295.427 0.103 20 30 CCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001284515210 905349977 /nfs/dbraw/zinc/34/99/77/905349977.db2.gz BFRLEHQLSHLDHY-GJZGRUSLSA-N 2 1 295.427 0.103 20 30 CCEDMP C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001491602282 907439363 /nfs/dbraw/zinc/43/93/63/907439363.db2.gz OJUFOISNZCJHPT-ZIAGYGMSSA-N 2 1 265.401 0.977 20 30 CCEDMP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001317359747 908180218 /nfs/dbraw/zinc/18/02/18/908180218.db2.gz OVLFANNTJBJQRU-HUUCEWRRSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317478831 908481589 /nfs/dbraw/zinc/48/15/89/908481589.db2.gz YQJIHLDGMDRLSM-CQSZACIVSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)CCC[NH+]1CCCC1 ZINC001316869372 908659640 /nfs/dbraw/zinc/65/96/40/908659640.db2.gz HDQGYRQMWGLILM-UHFFFAOYSA-N 2 1 265.401 0.934 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317138748 909011351 /nfs/dbraw/zinc/01/13/51/909011351.db2.gz VWTRTQIOPKBQPR-HNNXBMFYSA-N 2 1 277.412 0.934 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318387401 909734371 /nfs/dbraw/zinc/73/43/71/909734371.db2.gz SFMXBQYYFZXSSM-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318387401 909734386 /nfs/dbraw/zinc/73/43/86/909734386.db2.gz SFMXBQYYFZXSSM-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001318387401 909734400 /nfs/dbraw/zinc/73/44/00/909734400.db2.gz SFMXBQYYFZXSSM-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001318387401 909734414 /nfs/dbraw/zinc/73/44/14/909734414.db2.gz SFMXBQYYFZXSSM-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]C(C)C ZINC001318538517 909805534 /nfs/dbraw/zinc/80/55/34/909805534.db2.gz USIYMXIOHULTFD-KGLIPLIRSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]C(C)C ZINC001318538517 909805550 /nfs/dbraw/zinc/80/55/50/909805550.db2.gz USIYMXIOHULTFD-KGLIPLIRSA-N 2 1 265.401 0.977 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001319207181 910036953 /nfs/dbraw/zinc/03/69/53/910036953.db2.gz HGBABXJQWJBLPG-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001319329569 910100125 /nfs/dbraw/zinc/10/01/25/910100125.db2.gz CDHSVOLDUZRCOK-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001319329569 910100146 /nfs/dbraw/zinc/10/01/46/910100146.db2.gz CDHSVOLDUZRCOK-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001319329569 910100160 /nfs/dbraw/zinc/10/01/60/910100160.db2.gz CDHSVOLDUZRCOK-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001319329569 910100174 /nfs/dbraw/zinc/10/01/74/910100174.db2.gz CDHSVOLDUZRCOK-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001320262714 910565030 /nfs/dbraw/zinc/56/50/30/910565030.db2.gz YLHXUWRUFKIZBD-OAHLLOKOSA-N 2 1 295.427 0.341 20 30 CCEDMP CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001320770149 910856819 /nfs/dbraw/zinc/85/68/19/910856819.db2.gz WCLNLXWHRMQVJY-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001321875074 911546494 /nfs/dbraw/zinc/54/64/94/911546494.db2.gz DAWGMFNXOLLQFK-ZDUSSCGKSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001492878340 914978785 /nfs/dbraw/zinc/97/87/85/914978785.db2.gz INBHKBUHBDWAAG-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001492878340 914978790 /nfs/dbraw/zinc/97/87/90/914978790.db2.gz INBHKBUHBDWAAG-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001492878340 914978796 /nfs/dbraw/zinc/97/87/96/914978796.db2.gz INBHKBUHBDWAAG-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001329408756 915890033 /nfs/dbraw/zinc/89/00/33/915890033.db2.gz JPZZIHGDRNELON-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001329408756 915890043 /nfs/dbraw/zinc/89/00/43/915890043.db2.gz JPZZIHGDRNELON-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001329408756 915890060 /nfs/dbraw/zinc/89/00/60/915890060.db2.gz JPZZIHGDRNELON-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001329408756 915890074 /nfs/dbraw/zinc/89/00/74/915890074.db2.gz JPZZIHGDRNELON-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001329475917 915949103 /nfs/dbraw/zinc/94/91/03/915949103.db2.gz XIVPAOUXVIOOIL-LBPRGKRZSA-N 2 1 292.383 0.810 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001329475917 915949117 /nfs/dbraw/zinc/94/91/17/915949117.db2.gz XIVPAOUXVIOOIL-LBPRGKRZSA-N 2 1 292.383 0.810 20 30 CCEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001329516615 915981496 /nfs/dbraw/zinc/98/14/96/915981496.db2.gz REFIQSWNPKUVFZ-LBPRGKRZSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001330423481 916625272 /nfs/dbraw/zinc/62/52/72/916625272.db2.gz HCOWVLFAIDOETF-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001331560403 917417187 /nfs/dbraw/zinc/41/71/87/917417187.db2.gz KQVBFPWKARRNDK-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CCONC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336111853 920613183 /nfs/dbraw/zinc/61/31/83/920613183.db2.gz YOHLMUFUBFZNLW-OKILXGFUSA-N 2 1 294.399 0.714 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC001446977311 930533050 /nfs/dbraw/zinc/53/30/50/930533050.db2.gz XSSQUJZHOJKTNQ-ZDUSSCGKSA-N 2 1 297.399 0.200 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC001446977311 930533053 /nfs/dbraw/zinc/53/30/53/930533053.db2.gz XSSQUJZHOJKTNQ-ZDUSSCGKSA-N 2 1 297.399 0.200 20 30 CCEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592153754 359771899 /nfs/dbraw/zinc/77/18/99/359771899.db2.gz OIBNPZKFKJTANJ-INIZCTEOSA-N 2 1 294.443 0.753 20 30 CCEDMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594438562 360306958 /nfs/dbraw/zinc/30/69/58/360306958.db2.gz OJZYLBMTEXWXPK-STQMWFEESA-N 2 1 282.388 0.235 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000594439663 360309028 /nfs/dbraw/zinc/30/90/28/360309028.db2.gz YKADELNMPGKJQY-AAEUAGOBSA-N 2 1 264.373 0.751 20 30 CCEDMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594444584 360311115 /nfs/dbraw/zinc/31/11/15/360311115.db2.gz UZFJSFPXEXHUIE-AAEUAGOBSA-N 2 1 270.352 0.558 20 30 CCEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594448865 360315378 /nfs/dbraw/zinc/31/53/78/360315378.db2.gz XIZOXWSSMONMQT-MQYQWHSLSA-N 2 1 296.415 0.621 20 30 CCEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594448865 360315381 /nfs/dbraw/zinc/31/53/81/360315381.db2.gz XIZOXWSSMONMQT-MQYQWHSLSA-N 2 1 296.415 0.621 20 30 CCEDMP C#CC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000066568355 388945463 /nfs/dbraw/zinc/94/54/63/388945463.db2.gz LMQCFGJTKBTNML-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000329801954 389203277 /nfs/dbraw/zinc/20/32/77/389203277.db2.gz JZLXUHATRLLHLM-XBFCOCLRSA-N 2 1 296.415 0.303 20 30 CCEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@H]1CCC[N@H+]1C ZINC000262805865 389295960 /nfs/dbraw/zinc/29/59/60/389295960.db2.gz NLZGXLUPWVVIPB-CYBMUJFWSA-N 2 1 292.431 0.796 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccs1 ZINC000264142459 389309170 /nfs/dbraw/zinc/30/91/70/389309170.db2.gz XAUNBUBXCSTEPZ-UHFFFAOYSA-N 2 1 282.413 0.875 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420401313 389997245 /nfs/dbraw/zinc/99/72/45/389997245.db2.gz JCIRFGNWDIJZQN-SDDRHHMPSA-N 2 1 282.388 0.303 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420401313 389997246 /nfs/dbraw/zinc/99/72/46/389997246.db2.gz JCIRFGNWDIJZQN-SDDRHHMPSA-N 2 1 282.388 0.303 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000491454574 390113612 /nfs/dbraw/zinc/11/36/12/390113612.db2.gz ZUYWPLKCHJXHBL-OAGGEKHMSA-N 2 1 297.443 0.001 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000491454574 390113613 /nfs/dbraw/zinc/11/36/13/390113613.db2.gz ZUYWPLKCHJXHBL-OAGGEKHMSA-N 2 1 297.443 0.001 20 30 CCEDMP C#C[C@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)C(C)(C)C ZINC000491716093 390116264 /nfs/dbraw/zinc/11/62/64/390116264.db2.gz RMTJMLZFXRBBGH-ZDUSSCGKSA-N 2 1 280.416 0.871 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=S)NCC1CC[NH+](C)CC1 ZINC000491737989 390116393 /nfs/dbraw/zinc/11/63/93/390116393.db2.gz OOQPVIHWPYMDAN-UHFFFAOYSA-N 2 1 296.484 0.747 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)C1=O ZINC000647934772 390222004 /nfs/dbraw/zinc/22/20/04/390222004.db2.gz PSTYYEQUOZLDKS-AVGNSLFASA-N 2 1 251.374 0.833 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)C1=O ZINC000647934772 390222006 /nfs/dbraw/zinc/22/20/06/390222006.db2.gz PSTYYEQUOZLDKS-AVGNSLFASA-N 2 1 251.374 0.833 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346910 412032910 /nfs/dbraw/zinc/03/29/10/412032910.db2.gz LGPPFDPTKBADHJ-BYNSBNAKSA-N 2 1 295.427 0.895 20 30 CCEDMP C=CC[C@]1(C(=O)NCC[NH+]2CCSCC2)CCC[NH2+]1 ZINC000662681394 414740259 /nfs/dbraw/zinc/74/02/59/414740259.db2.gz GMKJQPSBLORQGB-CQSZACIVSA-N 2 1 283.441 0.850 20 30 CCEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)[NH+](C)C)c1C#N ZINC000602776745 420493191 /nfs/dbraw/zinc/49/31/91/420493191.db2.gz SHUGYSCJQWXJGV-SECBINFHSA-N 2 1 278.360 0.322 20 30 CCEDMP C[NH+]=C(NCCn1ccnc1)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000158313677 261163523 /nfs/dbraw/zinc/16/35/23/261163523.db2.gz MXWNRXNLKFTSPS-KGLIPLIRSA-N 2 1 292.431 0.777 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252882509 264319480 /nfs/dbraw/zinc/31/94/80/264319480.db2.gz ZNEPSNUOLSUNRR-CYDGBPFRSA-N 2 1 251.374 0.736 20 30 CCEDMP CC(C)[N@@H+](C)C[C@@H](C)NC[C@@H](O)CN(C)CCC#N ZINC000575251823 335088734 /nfs/dbraw/zinc/08/87/34/335088734.db2.gz GUHUACNXRWYOST-ZIAGYGMSSA-N 2 1 270.421 0.511 20 30 CCEDMP CC(C)N(C)C[C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000575251823 335088735 /nfs/dbraw/zinc/08/87/35/335088735.db2.gz GUHUACNXRWYOST-ZIAGYGMSSA-N 2 1 270.421 0.511 20 30 CCEDMP C[C@]1(CO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@]1(C)CO ZINC000560162190 327287798 /nfs/dbraw/zinc/28/77/98/327287798.db2.gz NOSDWTPMFCVMNG-HZPDHXFCSA-N 2 1 280.412 0.683 20 30 CCEDMP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262302369 330005201 /nfs/dbraw/zinc/00/52/01/330005201.db2.gz OAKHVSXGWSNPHV-GFCCVEGCSA-N 2 1 295.431 0.255 20 30 CCEDMP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262302369 330005202 /nfs/dbraw/zinc/00/52/02/330005202.db2.gz OAKHVSXGWSNPHV-GFCCVEGCSA-N 2 1 295.431 0.255 20 30 CCEDMP C[NH+](C)[C@@]1(CNC(=[NH2+])N2CCOCC2)CCSC1 ZINC000262479502 330016595 /nfs/dbraw/zinc/01/65/95/330016595.db2.gz RCUGPOIUKSPWKI-GFCCVEGCSA-N 2 1 272.418 0.071 20 30 CCEDMP C[NH+](C)[C@]1(CNC(=[NH2+])N2CCOCC2)CCSC1 ZINC000262479505 330016689 /nfs/dbraw/zinc/01/66/89/330016689.db2.gz RCUGPOIUKSPWKI-LBPRGKRZSA-N 2 1 272.418 0.071 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@@H]1O ZINC000262503265 330018362 /nfs/dbraw/zinc/01/83/62/330018362.db2.gz ATGZVFYNLOMVKM-UPJWGTAASA-N 2 1 268.405 0.536 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262675210 330026051 /nfs/dbraw/zinc/02/60/51/330026051.db2.gz SXCRUQOASVEILJ-RYUDHWBXSA-N 2 1 254.378 0.281 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262675209 330026114 /nfs/dbraw/zinc/02/61/14/330026114.db2.gz SXCRUQOASVEILJ-NWDGAFQWSA-N 2 1 254.378 0.281 20 30 CCEDMP C[C@H]1CN(C(=[NH2+])NCCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000262798706 330032321 /nfs/dbraw/zinc/03/23/21/330032321.db2.gz QIKQCCCZTHUGBZ-ZDUSSCGKSA-N 2 1 297.447 0.048 20 30 CCEDMP C[NH+]=C(NCc1ccnc(C)n1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262803114 330032698 /nfs/dbraw/zinc/03/26/98/330032698.db2.gz POEKOYGALSXCHV-CYBMUJFWSA-N 2 1 288.399 0.687 20 30 CCEDMP C[NH+]=C(NCc1ccnc(C)n1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262803114 330032700 /nfs/dbraw/zinc/03/27/00/330032700.db2.gz POEKOYGALSXCHV-CYBMUJFWSA-N 2 1 288.399 0.687 20 30 CCEDMP C[NH+]=C(NC[C@H]1CCC[N@@H+]1CCOC)N1CCCC1 ZINC000263275303 330051420 /nfs/dbraw/zinc/05/14/20/330051420.db2.gz YDMSVFZMCCRUDC-CYBMUJFWSA-N 2 1 268.405 0.768 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000424137254 330274739 /nfs/dbraw/zinc/27/47/39/330274739.db2.gz RVUBIFJRXCBDBJ-GFCCVEGCSA-N 2 1 250.346 0.314 20 30 CCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424141606 330283315 /nfs/dbraw/zinc/28/33/15/330283315.db2.gz GQWDAMQXAHYJGJ-RTXFEEFZSA-N 2 1 264.373 0.606 20 30 CCEDMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1C[C@H](C)O ZINC000424149225 330295743 /nfs/dbraw/zinc/29/57/43/330295743.db2.gz VYJRFEBHPIIWSV-BFHYXJOUSA-N 2 1 296.415 0.311 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000490679655 332103172 /nfs/dbraw/zinc/10/31/72/332103172.db2.gz UDPQZMRUYGMLDB-DZGCQCFKSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000491644788 332263114 /nfs/dbraw/zinc/26/31/14/332263114.db2.gz LPUPBROGKNIFAU-CYBMUJFWSA-N 2 1 283.441 0.495 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000491644788 332263116 /nfs/dbraw/zinc/26/31/16/332263116.db2.gz LPUPBROGKNIFAU-CYBMUJFWSA-N 2 1 283.441 0.495 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000491698181 332293404 /nfs/dbraw/zinc/29/34/04/332293404.db2.gz LVRRYAUWIDCZDQ-UONOGXRCSA-N 2 1 278.400 0.192 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000491777895 332343017 /nfs/dbraw/zinc/34/30/17/332343017.db2.gz GQJULSOKGNINIP-UHFFFAOYSA-N 2 1 294.443 0.925 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000491780645 332344932 /nfs/dbraw/zinc/34/49/32/332344932.db2.gz FDVVWYRKFPFAAP-KBPBESRZSA-N 2 1 280.416 0.758 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](C)C(C)C ZINC000730282138 581690751 /nfs/dbraw/zinc/69/07/51/581690751.db2.gz GSLAJAMHEYSIJH-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C(C)C ZINC000730282138 581690753 /nfs/dbraw/zinc/69/07/53/581690753.db2.gz GSLAJAMHEYSIJH-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C(C)C ZINC000730282138 581690754 /nfs/dbraw/zinc/69/07/54/581690754.db2.gz GSLAJAMHEYSIJH-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C(C)C ZINC000730282138 581690755 /nfs/dbraw/zinc/69/07/55/581690755.db2.gz GSLAJAMHEYSIJH-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C(C)C ZINC000730282138 581690756 /nfs/dbraw/zinc/69/07/56/581690756.db2.gz GSLAJAMHEYSIJH-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000730285243 581692301 /nfs/dbraw/zinc/69/23/01/581692301.db2.gz JUASONKREZDJIO-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000730285243 581692303 /nfs/dbraw/zinc/69/23/03/581692303.db2.gz JUASONKREZDJIO-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCOc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762567901 581728983 /nfs/dbraw/zinc/72/89/83/581728983.db2.gz HLZMLENAYRYFGU-MRXNPFEDSA-N 2 1 274.364 0.855 20 30 CCEDMP C#CCOc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000762567901 581728988 /nfs/dbraw/zinc/72/89/88/581728988.db2.gz HLZMLENAYRYFGU-MRXNPFEDSA-N 2 1 274.364 0.855 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000731223286 581759061 /nfs/dbraw/zinc/75/90/61/581759061.db2.gz DKIVOMXGQFSXEP-HIFRSBDPSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000731223286 581759063 /nfs/dbraw/zinc/75/90/63/581759063.db2.gz DKIVOMXGQFSXEP-HIFRSBDPSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000731223286 581759065 /nfs/dbraw/zinc/75/90/65/581759065.db2.gz DKIVOMXGQFSXEP-HIFRSBDPSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000731223286 581759066 /nfs/dbraw/zinc/75/90/66/581759066.db2.gz DKIVOMXGQFSXEP-HIFRSBDPSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000742238142 581775473 /nfs/dbraw/zinc/77/54/73/581775473.db2.gz VJUALMBXAYJOAK-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000969962375 612962640 /nfs/dbraw/zinc/96/26/40/612962640.db2.gz LUYGJNFJXIDIAM-ZIAGYGMSSA-N 2 1 286.379 0.578 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000981439684 613005124 /nfs/dbraw/zinc/00/51/24/613005124.db2.gz HPCPFTSMEIQUIM-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000981439684 613005125 /nfs/dbraw/zinc/00/51/25/613005125.db2.gz HPCPFTSMEIQUIM-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981439684 613005126 /nfs/dbraw/zinc/00/51/26/613005126.db2.gz HPCPFTSMEIQUIM-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981439684 613005127 /nfs/dbraw/zinc/00/51/27/613005127.db2.gz HPCPFTSMEIQUIM-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979066623 613041833 /nfs/dbraw/zinc/04/18/33/613041833.db2.gz AMCRSURSNLUNEA-ZQDZILKHSA-N 2 1 275.396 0.255 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979066623 613041835 /nfs/dbraw/zinc/04/18/35/613041835.db2.gz AMCRSURSNLUNEA-ZQDZILKHSA-N 2 1 275.396 0.255 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979066623 613041837 /nfs/dbraw/zinc/04/18/37/613041837.db2.gz AMCRSURSNLUNEA-ZQDZILKHSA-N 2 1 275.396 0.255 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC#C ZINC000960344053 613043679 /nfs/dbraw/zinc/04/36/79/613043679.db2.gz FOERLRSAJKRERF-XUWVNRHRSA-N 2 1 285.391 0.154 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC#C ZINC000960344053 613043680 /nfs/dbraw/zinc/04/36/80/613043680.db2.gz FOERLRSAJKRERF-XUWVNRHRSA-N 2 1 285.391 0.154 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000960344053 613043682 /nfs/dbraw/zinc/04/36/82/613043682.db2.gz FOERLRSAJKRERF-XUWVNRHRSA-N 2 1 285.391 0.154 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000960344053 613043684 /nfs/dbraw/zinc/04/36/84/613043684.db2.gz FOERLRSAJKRERF-XUWVNRHRSA-N 2 1 285.391 0.154 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841910398 613076478 /nfs/dbraw/zinc/07/64/78/613076478.db2.gz POFWPYKBUYQXRX-CYBMUJFWSA-N 2 1 266.389 0.383 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000857237331 613078393 /nfs/dbraw/zinc/07/83/93/613078393.db2.gz SQZQMIQIUBUKLI-ZDUSSCGKSA-N 2 1 251.374 0.832 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000857237331 613078395 /nfs/dbraw/zinc/07/83/95/613078395.db2.gz SQZQMIQIUBUKLI-ZDUSSCGKSA-N 2 1 251.374 0.832 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903178879 613079362 /nfs/dbraw/zinc/07/93/62/613079362.db2.gz ZRBVMJAHGLIDSI-KBPBESRZSA-N 2 1 252.358 0.479 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903178879 613079364 /nfs/dbraw/zinc/07/93/64/613079364.db2.gz ZRBVMJAHGLIDSI-KBPBESRZSA-N 2 1 252.358 0.479 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000971682206 613093112 /nfs/dbraw/zinc/09/31/12/613093112.db2.gz MBNBLLQOZZCUBE-UONOGXRCSA-N 2 1 286.379 0.926 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000971682206 613093113 /nfs/dbraw/zinc/09/31/13/613093113.db2.gz MBNBLLQOZZCUBE-UONOGXRCSA-N 2 1 286.379 0.926 20 30 CCEDMP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000969799350 613117609 /nfs/dbraw/zinc/11/76/09/613117609.db2.gz WBJUVJYXXBADAN-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969799350 613117611 /nfs/dbraw/zinc/11/76/11/613117611.db2.gz WBJUVJYXXBADAN-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000969799350 613117612 /nfs/dbraw/zinc/11/76/12/613117612.db2.gz WBJUVJYXXBADAN-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970360420 613122564 /nfs/dbraw/zinc/12/25/64/613122564.db2.gz FBKYVICNJSHRHA-LBPRGKRZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000827330689 613129507 /nfs/dbraw/zinc/12/95/07/613129507.db2.gz QSESBLHQZVKTEX-CVEARBPZSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000918894277 613134696 /nfs/dbraw/zinc/13/46/96/613134696.db2.gz VGGDVZDAFGWYOF-CQSZACIVSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000969144366 613148183 /nfs/dbraw/zinc/14/81/83/613148183.db2.gz KMVXCOIAJLTIQW-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144366 613148184 /nfs/dbraw/zinc/14/81/84/613148184.db2.gz KMVXCOIAJLTIQW-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144366 613148185 /nfs/dbraw/zinc/14/81/85/613148185.db2.gz KMVXCOIAJLTIQW-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000923551787 613165763 /nfs/dbraw/zinc/16/57/63/613165763.db2.gz RRFNZWYZZFCGMB-CYBMUJFWSA-N 2 1 261.369 0.296 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000923551787 613165764 /nfs/dbraw/zinc/16/57/64/613165764.db2.gz RRFNZWYZZFCGMB-CYBMUJFWSA-N 2 1 261.369 0.296 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000923557027 613182465 /nfs/dbraw/zinc/18/24/65/613182465.db2.gz JOXRXDQUXKJMQP-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000923557027 613182466 /nfs/dbraw/zinc/18/24/66/613182466.db2.gz JOXRXDQUXKJMQP-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000923557027 613182467 /nfs/dbraw/zinc/18/24/67/613182467.db2.gz JOXRXDQUXKJMQP-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000923557027 613182468 /nfs/dbraw/zinc/18/24/68/613182468.db2.gz JOXRXDQUXKJMQP-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000896491166 613183614 /nfs/dbraw/zinc/18/36/14/613183614.db2.gz ZZKLJKOBJQESMG-QLFBSQMISA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)C1 ZINC000896491166 613183616 /nfs/dbraw/zinc/18/36/16/613183616.db2.gz ZZKLJKOBJQESMG-QLFBSQMISA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)C1 ZINC000896491166 613183619 /nfs/dbraw/zinc/18/36/19/613183619.db2.gz ZZKLJKOBJQESMG-QLFBSQMISA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)C1 ZINC000896491166 613183620 /nfs/dbraw/zinc/18/36/20/613183620.db2.gz ZZKLJKOBJQESMG-QLFBSQMISA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000884195370 613184959 /nfs/dbraw/zinc/18/49/59/613184959.db2.gz KXRXNFCRQWJCBB-HNNXBMFYSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000884195370 613184960 /nfs/dbraw/zinc/18/49/60/613184960.db2.gz KXRXNFCRQWJCBB-HNNXBMFYSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=S)NCCC[NH+](C)C)C1 ZINC000905570263 613192139 /nfs/dbraw/zinc/19/21/39/613192139.db2.gz GPCDPAMPHAZVNR-ZDUSSCGKSA-N 2 1 282.457 0.500 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=S)NCCC[NH+](C)C)C1 ZINC000905570263 613192140 /nfs/dbraw/zinc/19/21/40/613192140.db2.gz GPCDPAMPHAZVNR-ZDUSSCGKSA-N 2 1 282.457 0.500 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000824087837 613201159 /nfs/dbraw/zinc/20/11/59/613201159.db2.gz WDRYJOFWKXORFY-BFHYXJOUSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000824087837 613201162 /nfs/dbraw/zinc/20/11/62/613201162.db2.gz WDRYJOFWKXORFY-BFHYXJOUSA-N 2 1 277.412 0.929 20 30 CCEDMP C[NH+]=C(NC[C@H](C)C[NH+]1CCOCC1)NC1CC1 ZINC000849005881 613220250 /nfs/dbraw/zinc/22/02/50/613220250.db2.gz ZIHVNWLBYPRCGI-NSHDSACASA-N 2 1 254.378 0.282 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974602999 613298640 /nfs/dbraw/zinc/29/86/40/613298640.db2.gz AQKQRVGWONEGKC-MCIONIFRSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000974602999 613298642 /nfs/dbraw/zinc/29/86/42/613298642.db2.gz AQKQRVGWONEGKC-MCIONIFRSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000974602999 613298644 /nfs/dbraw/zinc/29/86/44/613298644.db2.gz AQKQRVGWONEGKC-MCIONIFRSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977584788 613298695 /nfs/dbraw/zinc/29/86/95/613298695.db2.gz FVCYQWMJATUFIE-OLZOCXBDSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977584788 613298696 /nfs/dbraw/zinc/29/86/96/613298696.db2.gz FVCYQWMJATUFIE-OLZOCXBDSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977584788 613298698 /nfs/dbraw/zinc/29/86/98/613298698.db2.gz FVCYQWMJATUFIE-OLZOCXBDSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978682633 613307823 /nfs/dbraw/zinc/30/78/23/613307823.db2.gz WVVWQPJZWAUXLL-QKDCVEJESA-N 2 1 275.396 0.255 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000962762409 613315435 /nfs/dbraw/zinc/31/54/35/613315435.db2.gz LRZQWZPIQUOGBR-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC000962762409 613315436 /nfs/dbraw/zinc/31/54/36/613315436.db2.gz LRZQWZPIQUOGBR-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC000962762409 613315438 /nfs/dbraw/zinc/31/54/38/613315438.db2.gz LRZQWZPIQUOGBR-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000962556458 613344828 /nfs/dbraw/zinc/34/48/28/613344828.db2.gz RAMBAOXOHFSHOA-MQYQWHSLSA-N 2 1 263.385 0.561 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962556458 613344829 /nfs/dbraw/zinc/34/48/29/613344829.db2.gz RAMBAOXOHFSHOA-MQYQWHSLSA-N 2 1 263.385 0.561 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962556458 613344830 /nfs/dbraw/zinc/34/48/30/613344830.db2.gz RAMBAOXOHFSHOA-MQYQWHSLSA-N 2 1 263.385 0.561 20 30 CCEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930136990 613362434 /nfs/dbraw/zinc/36/24/34/613362434.db2.gz QIWIHXCFVRQBGC-XHSDSOJGSA-N 2 1 281.444 0.881 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908199572 613364291 /nfs/dbraw/zinc/36/42/91/613364291.db2.gz GPGOQGAMPAXOIH-KBPBESRZSA-N 2 1 281.400 0.162 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000885891046 613364888 /nfs/dbraw/zinc/36/48/88/613364888.db2.gz OMNGAAVBLHOKBM-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000841457093 613366328 /nfs/dbraw/zinc/36/63/28/613366328.db2.gz NSAKFFFUKNLSKC-CHWSQXEVSA-N 2 1 269.389 0.018 20 30 CCEDMP C=CC[C@@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000883438837 613399997 /nfs/dbraw/zinc/39/99/97/613399997.db2.gz DJNJHFPZPLYIJC-LPWJVIDDSA-N 2 1 265.357 0.818 20 30 CCEDMP C=CC[C@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000883438836 613413711 /nfs/dbraw/zinc/41/37/11/613413711.db2.gz DJNJHFPZPLYIJC-LOWDOPEQSA-N 2 1 265.357 0.818 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709581 613467310 /nfs/dbraw/zinc/46/73/10/613467310.db2.gz KYKNRGHTXYPVGX-UPJWGTAASA-N 2 1 265.357 0.820 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000980413178 613633266 /nfs/dbraw/zinc/63/32/66/613633266.db2.gz ROQZOQUPOKLFDW-CABCVRRESA-N 2 1 295.427 0.673 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000960185643 613637400 /nfs/dbraw/zinc/63/74/00/613637400.db2.gz RJIPPPMDZRGOIW-QXSJWSMHSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC000960185643 613637402 /nfs/dbraw/zinc/63/74/02/613637402.db2.gz RJIPPPMDZRGOIW-QXSJWSMHSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC000960185643 613637404 /nfs/dbraw/zinc/63/74/04/613637404.db2.gz RJIPPPMDZRGOIW-QXSJWSMHSA-N 2 1 289.423 0.931 20 30 CCEDMP C=CC[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000903432674 613651031 /nfs/dbraw/zinc/65/10/31/613651031.db2.gz JYEGMPRYTOUYGE-YNEHKIRRSA-N 2 1 272.414 0.789 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC000962120053 613837952 /nfs/dbraw/zinc/83/79/52/613837952.db2.gz JRQOWKJWYIYQLC-FOLVSLTJSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000970479733 613863766 /nfs/dbraw/zinc/86/37/66/613863766.db2.gz XRQZTBYCEPMKAY-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)N1CCCCC1 ZINC000104169034 615144342 /nfs/dbraw/zinc/14/43/42/615144342.db2.gz OYWHIPQXAABXAC-ZDUSSCGKSA-N 2 1 295.431 0.388 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579334 616067372 /nfs/dbraw/zinc/06/73/72/616067372.db2.gz ZGUJUJBWNZICMY-UONOGXRCSA-N 2 1 278.400 0.775 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579334 616067373 /nfs/dbraw/zinc/06/73/73/616067373.db2.gz ZGUJUJBWNZICMY-UONOGXRCSA-N 2 1 278.400 0.775 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579334 616067374 /nfs/dbraw/zinc/06/73/74/616067374.db2.gz ZGUJUJBWNZICMY-UONOGXRCSA-N 2 1 278.400 0.775 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579334 616067375 /nfs/dbraw/zinc/06/73/75/616067375.db2.gz ZGUJUJBWNZICMY-UONOGXRCSA-N 2 1 278.400 0.775 20 30 CCEDMP CN(CCC#N)C[C@@H](O)C[N@H+]1CCC12CC[NH+](C)CC2 ZINC000899909644 616177066 /nfs/dbraw/zinc/17/70/66/616177066.db2.gz FZWQKKFOQUORNW-CQSZACIVSA-N 2 1 280.416 0.363 20 30 CCEDMP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876733376 616196214 /nfs/dbraw/zinc/19/62/14/616196214.db2.gz WTJPKFZIQGTUNP-GDBMZVCRSA-N 2 1 298.390 0.955 20 30 CCEDMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876733376 616196215 /nfs/dbraw/zinc/19/62/15/616196215.db2.gz WTJPKFZIQGTUNP-GDBMZVCRSA-N 2 1 298.390 0.955 20 30 CCEDMP CC(C)[C@@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000178580440 625331768 /nfs/dbraw/zinc/33/17/68/625331768.db2.gz ZBIZNEPCSDCAMR-ZDUSSCGKSA-N 2 1 270.421 0.905 20 30 CCEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001024375647 623301891 /nfs/dbraw/zinc/30/18/91/623301891.db2.gz UOFQYZIWSUGHQR-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001024375647 623301901 /nfs/dbraw/zinc/30/19/01/623301901.db2.gz UOFQYZIWSUGHQR-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024375647 623301908 /nfs/dbraw/zinc/30/19/08/623301908.db2.gz UOFQYZIWSUGHQR-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024375647 623301917 /nfs/dbraw/zinc/30/19/17/623301917.db2.gz UOFQYZIWSUGHQR-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001018965957 623776741 /nfs/dbraw/zinc/77/67/41/623776741.db2.gz AOQIMKMPZLPYAR-STQMWFEESA-N 2 1 272.352 0.584 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025797824 623885076 /nfs/dbraw/zinc/88/50/76/623885076.db2.gz WOKVKLDDAZYFJM-QMIVOQANSA-N 2 1 291.395 0.082 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025797824 623885078 /nfs/dbraw/zinc/88/50/78/623885078.db2.gz WOKVKLDDAZYFJM-QMIVOQANSA-N 2 1 291.395 0.082 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001022198052 624891992 /nfs/dbraw/zinc/89/19/92/624891992.db2.gz DNRKVCSKNNNQFC-KFWWJZLASA-N 2 1 277.412 0.834 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027350078 625846003 /nfs/dbraw/zinc/84/60/03/625846003.db2.gz HGPVLXMPIRVZCG-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027350078 625846004 /nfs/dbraw/zinc/84/60/04/625846004.db2.gz HGPVLXMPIRVZCG-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001027350078 625846006 /nfs/dbraw/zinc/84/60/06/625846006.db2.gz HGPVLXMPIRVZCG-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001027350078 625846007 /nfs/dbraw/zinc/84/60/07/625846007.db2.gz HGPVLXMPIRVZCG-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001027465279 625897133 /nfs/dbraw/zinc/89/71/33/625897133.db2.gz UFEDDMAOOSJBHO-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001027465279 625897135 /nfs/dbraw/zinc/89/71/35/625897135.db2.gz UFEDDMAOOSJBHO-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465279 625897137 /nfs/dbraw/zinc/89/71/37/625897137.db2.gz UFEDDMAOOSJBHO-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465279 625897140 /nfs/dbraw/zinc/89/71/40/625897140.db2.gz UFEDDMAOOSJBHO-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP N#C[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000903564257 634608532 /nfs/dbraw/zinc/60/85/32/634608532.db2.gz SCNGFCCPLBMFTI-GFCCVEGCSA-N 2 1 250.346 0.044 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681741 630851921 /nfs/dbraw/zinc/85/19/21/630851921.db2.gz BWVMCEREJPGFIJ-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP CCn1cnnc1CNC(N[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000083166956 630973321 /nfs/dbraw/zinc/97/33/21/630973321.db2.gz HMTNBSHHPOFFLI-LLVKDONJSA-N 2 1 291.403 0.200 20 30 CCEDMP CCn1cnnc1CNC(N[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000083166956 630973328 /nfs/dbraw/zinc/97/33/28/630973328.db2.gz HMTNBSHHPOFFLI-LLVKDONJSA-N 2 1 291.403 0.200 20 30 CCEDMP CN(C)C(=O)CNC(N[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]C1CC1 ZINC000083166827 630973941 /nfs/dbraw/zinc/97/39/41/630973941.db2.gz DOIYIRWNUQSDJP-LBPRGKRZSA-N 2 1 293.415 0.009 20 30 CCEDMP CN(C)C(=O)CNC(N[C@H]1CC[N@H+](C2CC2)C1)=[NH+]C1CC1 ZINC000083166827 630973945 /nfs/dbraw/zinc/97/39/45/630973945.db2.gz DOIYIRWNUQSDJP-LBPRGKRZSA-N 2 1 293.415 0.009 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001007006963 650061808 /nfs/dbraw/zinc/06/18/08/650061808.db2.gz CRLQKHGSEVFYSY-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001007006963 650061810 /nfs/dbraw/zinc/06/18/10/650061810.db2.gz CRLQKHGSEVFYSY-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007006963 650061812 /nfs/dbraw/zinc/06/18/12/650061812.db2.gz CRLQKHGSEVFYSY-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007006963 650061813 /nfs/dbraw/zinc/06/18/13/650061813.db2.gz CRLQKHGSEVFYSY-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP CC[C@H](C)NC(=O)CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303892404 632493509 /nfs/dbraw/zinc/49/35/09/632493509.db2.gz REBOARGNQJKSRQ-STQMWFEESA-N 2 1 297.447 0.680 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323447795 633551287 /nfs/dbraw/zinc/55/12/87/633551287.db2.gz ADPKDUXPHFHVLQ-UHFFFAOYSA-N 2 1 285.391 0.944 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323447795 633551294 /nfs/dbraw/zinc/55/12/94/633551294.db2.gz ADPKDUXPHFHVLQ-UHFFFAOYSA-N 2 1 285.391 0.944 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009526750 650147274 /nfs/dbraw/zinc/14/72/74/650147274.db2.gz FQYNZABWSXUTKD-ZDUSSCGKSA-N 2 1 251.374 0.849 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010427980 650224375 /nfs/dbraw/zinc/22/43/75/650224375.db2.gz NZGOFPLDAGNZSE-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010427980 650224380 /nfs/dbraw/zinc/22/43/80/650224380.db2.gz NZGOFPLDAGNZSE-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010427980 650224385 /nfs/dbraw/zinc/22/43/85/650224385.db2.gz NZGOFPLDAGNZSE-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010427980 650224388 /nfs/dbraw/zinc/22/43/88/650224388.db2.gz NZGOFPLDAGNZSE-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996713899 638829805 /nfs/dbraw/zinc/82/98/05/638829805.db2.gz YSTSOEDVPNHAFZ-UKRRQHHQSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996713899 638829806 /nfs/dbraw/zinc/82/98/06/638829806.db2.gz YSTSOEDVPNHAFZ-UKRRQHHQSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000997832780 638885689 /nfs/dbraw/zinc/88/56/89/638885689.db2.gz UJDDFWQWZHGLPO-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000997832780 638885691 /nfs/dbraw/zinc/88/56/91/638885691.db2.gz UJDDFWQWZHGLPO-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014505519 650456736 /nfs/dbraw/zinc/45/67/36/650456736.db2.gz CEFCLYQEBOZINP-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001014505519 650456738 /nfs/dbraw/zinc/45/67/38/650456738.db2.gz CEFCLYQEBOZINP-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001014505519 650456740 /nfs/dbraw/zinc/45/67/40/650456740.db2.gz CEFCLYQEBOZINP-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001014505519 650456741 /nfs/dbraw/zinc/45/67/41/650456741.db2.gz CEFCLYQEBOZINP-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001014501295 650456831 /nfs/dbraw/zinc/45/68/31/650456831.db2.gz IXAIINJIYDNVIB-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001014501295 650456832 /nfs/dbraw/zinc/45/68/32/650456832.db2.gz IXAIINJIYDNVIB-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001014501295 650456834 /nfs/dbraw/zinc/45/68/34/650456834.db2.gz IXAIINJIYDNVIB-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999295943 638972170 /nfs/dbraw/zinc/97/21/70/638972170.db2.gz MLRQITOOQHFQOD-YMAMQOFZSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999295943 638972172 /nfs/dbraw/zinc/97/21/72/638972172.db2.gz MLRQITOOQHFQOD-YMAMQOFZSA-N 2 1 295.427 0.861 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000999372848 638976734 /nfs/dbraw/zinc/97/67/34/638976734.db2.gz PGHFJVHRZRBIRM-KBPBESRZSA-N 2 1 286.379 0.974 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999389695 638979691 /nfs/dbraw/zinc/97/96/91/638979691.db2.gz AJWQKHSWKXSMFA-KBPBESRZSA-N 2 1 281.375 0.634 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999389695 638979694 /nfs/dbraw/zinc/97/96/94/638979694.db2.gz AJWQKHSWKXSMFA-KBPBESRZSA-N 2 1 281.375 0.634 20 30 CCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001000522402 639108626 /nfs/dbraw/zinc/10/86/26/639108626.db2.gz QZHYJZHCUOIXHY-OAHLLOKOSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001000522402 639108630 /nfs/dbraw/zinc/10/86/30/639108630.db2.gz QZHYJZHCUOIXHY-OAHLLOKOSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001000522402 639108634 /nfs/dbraw/zinc/10/86/34/639108634.db2.gz QZHYJZHCUOIXHY-OAHLLOKOSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001000545695 639118085 /nfs/dbraw/zinc/11/80/85/639118085.db2.gz ATNIASCOWROXNQ-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001000545695 639118087 /nfs/dbraw/zinc/11/80/87/639118087.db2.gz ATNIASCOWROXNQ-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000545695 639118089 /nfs/dbraw/zinc/11/80/89/639118089.db2.gz ATNIASCOWROXNQ-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000545695 639118090 /nfs/dbraw/zinc/11/80/90/639118090.db2.gz ATNIASCOWROXNQ-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001000688573 639152723 /nfs/dbraw/zinc/15/27/23/639152723.db2.gz KRWRPNXWJQJRAP-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001833247 639343118 /nfs/dbraw/zinc/34/31/18/639343118.db2.gz JYABQUOIFMCBMF-DZGCQCFKSA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCF)C2)CC1 ZINC001016335201 639466272 /nfs/dbraw/zinc/46/62/72/639466272.db2.gz BPIMCQILRXWJOV-OAHLLOKOSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC#CC)CC1 ZINC001003057202 639500544 /nfs/dbraw/zinc/50/05/44/639500544.db2.gz XNVXCDNHXOVLCE-INIZCTEOSA-N 2 1 287.407 0.688 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC#CC)CC1 ZINC001003057202 639500547 /nfs/dbraw/zinc/50/05/47/639500547.db2.gz XNVXCDNHXOVLCE-INIZCTEOSA-N 2 1 287.407 0.688 20 30 CCEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005574694 639939858 /nfs/dbraw/zinc/93/98/58/639939858.db2.gz MFBHYPNNMKAJFY-UKRRQHHQSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005574694 639939881 /nfs/dbraw/zinc/93/98/81/639939881.db2.gz MFBHYPNNMKAJFY-UKRRQHHQSA-N 2 1 295.427 0.814 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001006002508 640061715 /nfs/dbraw/zinc/06/17/15/640061715.db2.gz XWQGQZGVKDNAJR-DZGCQCFKSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970752 650666480 /nfs/dbraw/zinc/66/64/80/650666480.db2.gz RUXTZLVKFFPCKW-MRXNPFEDSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970752 650666483 /nfs/dbraw/zinc/66/64/83/650666483.db2.gz RUXTZLVKFFPCKW-MRXNPFEDSA-N 2 1 289.423 0.932 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001016302078 650714562 /nfs/dbraw/zinc/71/45/62/650714562.db2.gz IXMMTKGRRHHYTK-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001016302078 650714563 /nfs/dbraw/zinc/71/45/63/650714563.db2.gz IXMMTKGRRHHYTK-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016302078 650714564 /nfs/dbraw/zinc/71/45/64/650714564.db2.gz IXMMTKGRRHHYTK-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016302078 650714565 /nfs/dbraw/zinc/71/45/65/650714565.db2.gz IXMMTKGRRHHYTK-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#CC)C2)CC1 ZINC001016333639 650719707 /nfs/dbraw/zinc/71/97/07/650719707.db2.gz YEYNPKCZVIABPW-INIZCTEOSA-N 2 1 287.407 0.545 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000852890647 644044814 /nfs/dbraw/zinc/04/48/14/644044814.db2.gz KLYCBZOZYROKOW-INIZCTEOSA-N 2 1 298.390 0.558 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001018835632 650915077 /nfs/dbraw/zinc/91/50/77/650915077.db2.gz LLDZOJJZWREJNE-KBPBESRZSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001019076024 650936267 /nfs/dbraw/zinc/93/62/67/650936267.db2.gz IBWUOGRKDCCGBL-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001020250320 651053107 /nfs/dbraw/zinc/05/31/07/651053107.db2.gz BPUFCJGLGLKJDO-KKUMJFAQSA-N 2 1 275.396 0.731 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001020250320 651053109 /nfs/dbraw/zinc/05/31/09/651053109.db2.gz BPUFCJGLGLKJDO-KKUMJFAQSA-N 2 1 275.396 0.731 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006410405 647990512 /nfs/dbraw/zinc/99/05/12/647990512.db2.gz KBLVYNZNTQWOGR-ZDUSSCGKSA-N 2 1 263.385 0.494 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCC(F)F ZINC000189575644 649378706 /nfs/dbraw/zinc/37/87/06/649378706.db2.gz RVYZSDHBBHTCNQ-SNVBAGLBSA-N 2 1 278.347 0.657 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)COC ZINC000245930148 649659506 /nfs/dbraw/zinc/65/95/06/649659506.db2.gz YPVFGJZDXZWYAX-RYUDHWBXSA-N 2 1 256.394 0.658 20 30 CCEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303379869 649817340 /nfs/dbraw/zinc/81/73/40/649817340.db2.gz QMJFWPDCSIMOGG-CHWSQXEVSA-N 2 1 269.437 0.573 20 30 CCEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000303369489 649817590 /nfs/dbraw/zinc/81/75/90/649817590.db2.gz JQGXLXFSYREVGB-ZIAGYGMSSA-N 2 1 283.464 0.963 20 30 CCEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])NC(C)C)CC1 ZINC000303876764 649825951 /nfs/dbraw/zinc/82/59/51/649825951.db2.gz IISZFQYGMYIOFD-ZDUSSCGKSA-N 2 1 269.437 0.573 20 30 CCEDMP CC[C@@H](C)NC(=O)CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303892395 649826515 /nfs/dbraw/zinc/82/65/15/649826515.db2.gz REBOARGNQJKSRQ-CHWSQXEVSA-N 2 1 297.447 0.680 20 30 CCEDMP CSCCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304612964 649837002 /nfs/dbraw/zinc/83/70/02/649837002.db2.gz KCLOWDQQYIEHPT-UHFFFAOYSA-N 2 1 288.461 0.756 20 30 CCEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000305001094 649840614 /nfs/dbraw/zinc/84/06/14/649840614.db2.gz HGAAUXNTFCXVCU-CYBMUJFWSA-N 2 1 268.405 0.611 20 30 CCEDMP C=CC[NH+]1CCN(c2cc(C3C[NH2+]C3)ncn2)CC1 ZINC001165035177 721874005 /nfs/dbraw/zinc/87/40/05/721874005.db2.gz SVIDTPRTMMHTBS-UHFFFAOYSA-N 2 1 259.357 0.471 20 30 CCEDMP C=CCOCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266313059 790490086 /nfs/dbraw/zinc/49/00/86/790490086.db2.gz FKKLOAYLKYGVLC-GJZGRUSLSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CCOCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001266313059 790490099 /nfs/dbraw/zinc/49/00/99/790490099.db2.gz FKKLOAYLKYGVLC-GJZGRUSLSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CCOCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001266313059 790490108 /nfs/dbraw/zinc/49/01/08/790490108.db2.gz FKKLOAYLKYGVLC-GJZGRUSLSA-N 2 1 297.443 0.967 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266326638 790512788 /nfs/dbraw/zinc/51/27/88/790512788.db2.gz GQOPZJORMJCJIY-HNNXBMFYSA-N 2 1 283.391 0.880 20 30 CCEDMP Cc1[nH+]c(N2C[C@H]3COC[C@@H](C2)C3[NH3+])ccc1CC#N ZINC001167186218 790685336 /nfs/dbraw/zinc/68/53/36/790685336.db2.gz DDMUTAAIVAODCB-NNQSOWQGSA-N 2 1 272.352 0.866 20 30 CCEDMP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001266437806 790702392 /nfs/dbraw/zinc/70/23/92/790702392.db2.gz MPBQELZOHDEPHP-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266437806 790702398 /nfs/dbraw/zinc/70/23/98/790702398.db2.gz MPBQELZOHDEPHP-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266437806 790702401 /nfs/dbraw/zinc/70/24/01/790702401.db2.gz MPBQELZOHDEPHP-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001266437806 790702407 /nfs/dbraw/zinc/70/24/07/790702407.db2.gz MPBQELZOHDEPHP-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001266437806 790702410 /nfs/dbraw/zinc/70/24/10/790702410.db2.gz MPBQELZOHDEPHP-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001266441653 790717511 /nfs/dbraw/zinc/71/75/11/790717511.db2.gz JLVFTOSXHRDTFP-CYBMUJFWSA-N 2 1 260.341 0.309 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001267044610 791476392 /nfs/dbraw/zinc/47/63/92/791476392.db2.gz KBXUJWPQXMHDPQ-KGLIPLIRSA-N 2 1 281.375 0.492 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001267044610 791476399 /nfs/dbraw/zinc/47/63/99/791476399.db2.gz KBXUJWPQXMHDPQ-KGLIPLIRSA-N 2 1 281.375 0.492 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249325 791618736 /nfs/dbraw/zinc/61/87/36/791618736.db2.gz YMOCHTHJRNLIJD-UONOGXRCSA-N 2 1 291.395 0.180 20 30 CCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249325 791618741 /nfs/dbraw/zinc/61/87/41/791618741.db2.gz YMOCHTHJRNLIJD-UONOGXRCSA-N 2 1 291.395 0.180 20 30 CCEDMP C=CC[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267213283 791682555 /nfs/dbraw/zinc/68/25/55/791682555.db2.gz GNOSHPQLZPFIMN-ZDUSSCGKSA-N 2 1 276.384 0.988 20 30 CCEDMP C=CC[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267213283 791682560 /nfs/dbraw/zinc/68/25/60/791682560.db2.gz GNOSHPQLZPFIMN-ZDUSSCGKSA-N 2 1 276.384 0.988 20 30 CCEDMP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCC#N)CC3)[C@@H]2C1 ZINC001277942796 806415743 /nfs/dbraw/zinc/41/57/43/806415743.db2.gz DTULKMVICJQVRP-CHWSQXEVSA-N 2 1 276.384 0.432 20 30 CCEDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CCCC#N)C[C@@H]21 ZINC001277945332 806424620 /nfs/dbraw/zinc/42/46/20/806424620.db2.gz WTEXOHZKUHQNPR-KBPBESRZSA-N 2 1 266.389 0.237 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC001122023229 799125565 /nfs/dbraw/zinc/12/55/65/799125565.db2.gz ZJRFUOOTPDUXSQ-UWVGGRQHSA-N 2 1 261.316 0.736 20 30 CCEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001278165161 806737157 /nfs/dbraw/zinc/73/71/57/806737157.db2.gz UIVHQAIPBFCWOO-GJZGRUSLSA-N 2 1 295.427 0.339 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149850069 800303084 /nfs/dbraw/zinc/30/30/84/800303084.db2.gz YJEOWZWEVYRQIJ-HUUCEWRRSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149850069 800303086 /nfs/dbraw/zinc/30/30/86/800303086.db2.gz YJEOWZWEVYRQIJ-HUUCEWRRSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149886824 800305128 /nfs/dbraw/zinc/30/51/28/800305128.db2.gz CHARQEODARYLFG-LSDHHAIUSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150589513 800348703 /nfs/dbraw/zinc/34/87/03/800348703.db2.gz USRXBLWRJOYGNZ-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150589513 800348711 /nfs/dbraw/zinc/34/87/11/800348711.db2.gz USRXBLWRJOYGNZ-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150589513 800348713 /nfs/dbraw/zinc/34/87/13/800348713.db2.gz USRXBLWRJOYGNZ-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150589513 800348717 /nfs/dbraw/zinc/34/87/17/800348717.db2.gz USRXBLWRJOYGNZ-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255225 800940709 /nfs/dbraw/zinc/94/07/09/800940709.db2.gz NXXFXFUHSDGVFS-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155255225 800940714 /nfs/dbraw/zinc/94/07/14/800940714.db2.gz NXXFXFUHSDGVFS-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155255225 800940721 /nfs/dbraw/zinc/94/07/21/800940721.db2.gz NXXFXFUHSDGVFS-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP Cc1nc(C#N)cc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155381597 800962780 /nfs/dbraw/zinc/96/27/80/800962780.db2.gz GWWSNCHGOKJPNM-AWEZNQCLSA-N 2 1 286.383 0.516 20 30 CCEDMP N#Cc1c(F)ccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157096215 801299447 /nfs/dbraw/zinc/29/94/47/801299447.db2.gz GHEFHKBRZJFFLE-UHFFFAOYSA-N 2 1 250.281 0.768 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001278301320 806915435 /nfs/dbraw/zinc/91/54/35/806915435.db2.gz MGXMRENBXCTPBF-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](F)CC ZINC001160209598 801920811 /nfs/dbraw/zinc/92/08/11/801920811.db2.gz RQODKPYKTPLDQA-KGLIPLIRSA-N 2 1 283.391 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](F)CC ZINC001160209598 801920817 /nfs/dbraw/zinc/92/08/17/801920817.db2.gz RQODKPYKTPLDQA-KGLIPLIRSA-N 2 1 283.391 0.928 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC#C)CC1 ZINC001160386250 801933064 /nfs/dbraw/zinc/93/30/64/801933064.db2.gz PFNAYSMDBQXFDU-KRWDZBQOSA-N 2 1 299.418 0.856 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC#C)CC1 ZINC001160386250 801933066 /nfs/dbraw/zinc/93/30/66/801933066.db2.gz PFNAYSMDBQXFDU-KRWDZBQOSA-N 2 1 299.418 0.856 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC#C)CC1 ZINC001160386250 801933068 /nfs/dbraw/zinc/93/30/68/801933068.db2.gz PFNAYSMDBQXFDU-KRWDZBQOSA-N 2 1 299.418 0.856 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC#C)CC1 ZINC001160386250 801933069 /nfs/dbraw/zinc/93/30/69/801933069.db2.gz PFNAYSMDBQXFDU-KRWDZBQOSA-N 2 1 299.418 0.856 20 30 CCEDMP N#CCc1cncc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160513873 801957796 /nfs/dbraw/zinc/95/77/96/801957796.db2.gz RXVQCJAATOLQDR-AWEZNQCLSA-N 2 1 272.356 0.378 20 30 CCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163940218 802637593 /nfs/dbraw/zinc/63/75/93/802637593.db2.gz KHYURHZYSSEFOK-ZDUSSCGKSA-N 2 1 281.400 0.379 20 30 CCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940218 802637598 /nfs/dbraw/zinc/63/75/98/802637598.db2.gz KHYURHZYSSEFOK-ZDUSSCGKSA-N 2 1 281.400 0.379 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203576280 803036390 /nfs/dbraw/zinc/03/63/90/803036390.db2.gz BTBUNIVKQGHHOU-KGLIPLIRSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CCC)C1 ZINC001276453795 803074732 /nfs/dbraw/zinc/07/47/32/803074732.db2.gz PYWKKGWHRRWMGY-CYBMUJFWSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)CCC)C1 ZINC001276453795 803074738 /nfs/dbraw/zinc/07/47/38/803074738.db2.gz PYWKKGWHRRWMGY-CYBMUJFWSA-N 2 1 265.401 0.788 20 30 CCEDMP N#Cc1ccc2c(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)c[nH]c2c1 ZINC001206525527 803259508 /nfs/dbraw/zinc/25/95/08/803259508.db2.gz SFMCLYMINNSIOF-NHYWBVRUSA-N 2 1 270.336 0.791 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207733948 803442740 /nfs/dbraw/zinc/44/27/40/803442740.db2.gz BONIMSSPZUJPDW-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207733948 803442744 /nfs/dbraw/zinc/44/27/44/803442744.db2.gz BONIMSSPZUJPDW-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494391 803518536 /nfs/dbraw/zinc/51/85/36/803518536.db2.gz SNOIDYQYTQHQQI-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314740 803647790 /nfs/dbraw/zinc/64/77/90/803647790.db2.gz DPVZQGMSYRRJBE-CHWSQXEVSA-N 2 1 269.389 0.187 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210674564 803657106 /nfs/dbraw/zinc/65/71/06/803657106.db2.gz ZEBSEGBNMSCPOF-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210674561 803657281 /nfs/dbraw/zinc/65/72/81/803657281.db2.gz ZEBSEGBNMSCPOF-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346471 803691391 /nfs/dbraw/zinc/69/13/91/803691391.db2.gz OKRVQRIDBJXFJK-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346471 803691394 /nfs/dbraw/zinc/69/13/94/803691394.db2.gz OKRVQRIDBJXFJK-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399795 803692704 /nfs/dbraw/zinc/69/27/04/803692704.db2.gz LHZDYWHXFAQFGJ-RBSFLKMASA-N 2 1 295.427 0.411 20 30 CCEDMP C[N@H+]1[C@@H]2C[C@@H](OC[C@H]3C[C@H]4CC[NH2+]C[C@@H]4O3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001217879228 803922985 /nfs/dbraw/zinc/92/29/85/803922985.db2.gz OZYRZLOVUHKTDN-HNVJURQZSA-N 2 1 294.395 0.382 20 30 CCEDMP C[N@@H+]1[C@@H]2C[C@@H](OC[C@H]3C[C@H]4CC[NH2+]C[C@@H]4O3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001217879228 803922990 /nfs/dbraw/zinc/92/29/90/803922990.db2.gz OZYRZLOVUHKTDN-HNVJURQZSA-N 2 1 294.395 0.382 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219731945 804415111 /nfs/dbraw/zinc/41/51/11/804415111.db2.gz KZHXRMWBFHTCKR-XQQFMLRXSA-N 2 1 287.379 0.014 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219731945 804415120 /nfs/dbraw/zinc/41/51/20/804415120.db2.gz KZHXRMWBFHTCKR-XQQFMLRXSA-N 2 1 287.379 0.014 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345201 804580448 /nfs/dbraw/zinc/58/04/48/804580448.db2.gz REWKTVQXLUNMFU-KFWWJZLASA-N 2 1 295.427 0.291 20 30 CCEDMP COCC#CC[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001272171817 815036582 /nfs/dbraw/zinc/03/65/82/815036582.db2.gz FTRQSLBHMPHAPN-UHFFFAOYSA-N 2 1 281.400 0.122 20 30 CCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001272171817 815036588 /nfs/dbraw/zinc/03/65/88/815036588.db2.gz FTRQSLBHMPHAPN-UHFFFAOYSA-N 2 1 281.400 0.122 20 30 CCEDMP N#Cc1cc[nH]c1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222507297 804909119 /nfs/dbraw/zinc/90/91/19/804909119.db2.gz QGDWNQUDVWSTNH-JSGCOSHPSA-N 2 1 259.357 0.412 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001223839018 804995447 /nfs/dbraw/zinc/99/54/47/804995447.db2.gz OUPHAIUGMIVOEF-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223839018 804995450 /nfs/dbraw/zinc/99/54/50/804995450.db2.gz OUPHAIUGMIVOEF-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223839018 804995458 /nfs/dbraw/zinc/99/54/58/804995458.db2.gz OUPHAIUGMIVOEF-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001277094242 805187934 /nfs/dbraw/zinc/18/79/34/805187934.db2.gz PEDJZOYRMDOPLX-UONOGXRCSA-N 2 1 275.396 0.875 20 30 CCEDMP C=C(C)CC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001277202080 805343526 /nfs/dbraw/zinc/34/35/26/805343526.db2.gz CVYQVAYTLWRTIJ-UHFFFAOYSA-N 2 1 295.427 0.913 20 30 CCEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001277299315 805445133 /nfs/dbraw/zinc/44/51/33/805445133.db2.gz PWGCAVDHQGTOMV-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@](C)(O)C=C ZINC001246004768 807112506 /nfs/dbraw/zinc/11/25/06/807112506.db2.gz XKRWFJNQNNODRV-GXTWGEPZSA-N 2 1 270.373 0.740 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001251634708 807690114 /nfs/dbraw/zinc/69/01/14/807690114.db2.gz IFAVMPJAFKDHEG-MGPQQGTHSA-N 2 1 278.400 0.191 20 30 CCEDMP C=C[C@](C)(O)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001252559249 807910666 /nfs/dbraw/zinc/91/06/66/807910666.db2.gz USJNEPYEJYPWSJ-INIZCTEOSA-N 2 1 295.427 0.585 20 30 CCEDMP C=C[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001253586174 808092147 /nfs/dbraw/zinc/09/21/47/808092147.db2.gz HSCRQUYAHOLSKX-HIFRSBDPSA-N 2 1 296.411 0.883 20 30 CCEDMP C=C[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001253586174 808092155 /nfs/dbraw/zinc/09/21/55/808092155.db2.gz HSCRQUYAHOLSKX-HIFRSBDPSA-N 2 1 296.411 0.883 20 30 CCEDMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CC[C@@H](C#N)C1 ZINC001254639005 808268988 /nfs/dbraw/zinc/26/89/88/808268988.db2.gz RZZQHULAGWYRFQ-VWYCJHECSA-N 2 1 281.360 0.073 20 30 CCEDMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CC[C@@H](C#N)C1 ZINC001254639004 808269097 /nfs/dbraw/zinc/26/90/97/808269097.db2.gz RZZQHULAGWYRFQ-MXWKQRLJSA-N 2 1 281.360 0.073 20 30 CCEDMP CC(C)[N@@H+](C)CCNC(=O)NCC#CC[NH+](C)C ZINC001256579603 808535913 /nfs/dbraw/zinc/53/59/13/808535913.db2.gz MRXMTXJLFIEFEU-UHFFFAOYSA-N 2 1 254.378 0.191 20 30 CCEDMP C#CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CCOC ZINC001279050442 808636808 /nfs/dbraw/zinc/63/68/08/808636808.db2.gz TWXBAFUDTVKGFV-UHFFFAOYSA-N 2 1 281.400 0.026 20 30 CCEDMP C#CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CCOC ZINC001279050442 808636814 /nfs/dbraw/zinc/63/68/14/808636814.db2.gz TWXBAFUDTVKGFV-UHFFFAOYSA-N 2 1 281.400 0.026 20 30 CCEDMP Cc1c(C(=O)NCC#CC[NH+](C)C)cnn1-c1cc[nH+]cc1 ZINC001262185646 809230748 /nfs/dbraw/zinc/23/07/48/809230748.db2.gz WWOWQEXZUHLDND-UHFFFAOYSA-N 2 1 297.362 0.871 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001263840537 809584629 /nfs/dbraw/zinc/58/46/29/809584629.db2.gz KAGSBXQITNIYCE-HZSPNIEDSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001263878392 809597396 /nfs/dbraw/zinc/59/73/96/809597396.db2.gz WEAPASRBNCMKFQ-KKUMJFAQSA-N 2 1 277.412 0.836 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001265318959 809756871 /nfs/dbraw/zinc/75/68/71/809756871.db2.gz GGEZMYSDKNVUGR-AWEZNQCLSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001265318959 809756876 /nfs/dbraw/zinc/75/68/76/809756876.db2.gz GGEZMYSDKNVUGR-AWEZNQCLSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001265318959 809756882 /nfs/dbraw/zinc/75/68/82/809756882.db2.gz GGEZMYSDKNVUGR-AWEZNQCLSA-N 2 1 281.400 0.167 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265318959 809756887 /nfs/dbraw/zinc/75/68/87/809756887.db2.gz GGEZMYSDKNVUGR-AWEZNQCLSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001265478358 809789113 /nfs/dbraw/zinc/78/91/13/809789113.db2.gz AGPZMVQAWGMLSO-ZQDZILKHSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266119684 809939129 /nfs/dbraw/zinc/93/91/29/809939129.db2.gz KCADCIHFBLJBJP-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266119684 809939133 /nfs/dbraw/zinc/93/91/33/809939133.db2.gz KCADCIHFBLJBJP-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266119684 809939136 /nfs/dbraw/zinc/93/91/36/809939136.db2.gz KCADCIHFBLJBJP-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001279621036 809988490 /nfs/dbraw/zinc/98/84/90/809988490.db2.gz AWDDWMIYRMEMTN-UHFFFAOYSA-N 2 1 263.385 0.710 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCC1 ZINC001280545756 810030147 /nfs/dbraw/zinc/03/01/47/810030147.db2.gz SCASAGGXTLUFAU-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCC1 ZINC001280545756 810030153 /nfs/dbraw/zinc/03/01/53/810030153.db2.gz SCASAGGXTLUFAU-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CCC[N@@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267320625 811148786 /nfs/dbraw/zinc/14/87/86/811148786.db2.gz QDMHWALPPQAYTM-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCC[NH+](CCC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267320625 811148791 /nfs/dbraw/zinc/14/87/91/811148791.db2.gz QDMHWALPPQAYTM-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCC[NH+](CCC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267320625 811148794 /nfs/dbraw/zinc/14/87/94/811148794.db2.gz QDMHWALPPQAYTM-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@H+](CCC)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001267320570 811151388 /nfs/dbraw/zinc/15/13/88/811151388.db2.gz OSBQJIAQYLDUOP-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+](CCC)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001267320570 811151398 /nfs/dbraw/zinc/15/13/98/811151398.db2.gz OSBQJIAQYLDUOP-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001267320570 811151406 /nfs/dbraw/zinc/15/14/06/811151406.db2.gz OSBQJIAQYLDUOP-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001267320570 811151412 /nfs/dbraw/zinc/15/14/12/811151412.db2.gz OSBQJIAQYLDUOP-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001077131947 815448167 /nfs/dbraw/zinc/44/81/67/815448167.db2.gz MYWQIYPIQXTXPU-RRFJBIMHSA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077131947 815448171 /nfs/dbraw/zinc/44/81/71/815448171.db2.gz MYWQIYPIQXTXPU-RRFJBIMHSA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077131947 815448174 /nfs/dbraw/zinc/44/81/74/815448174.db2.gz MYWQIYPIQXTXPU-RRFJBIMHSA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077131947 815448175 /nfs/dbraw/zinc/44/81/75/815448175.db2.gz MYWQIYPIQXTXPU-RRFJBIMHSA-N 2 1 293.411 0.044 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001267769899 811767521 /nfs/dbraw/zinc/76/75/21/811767521.db2.gz DWPLNZDICDSVQM-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001167737562 811770375 /nfs/dbraw/zinc/77/03/75/811770375.db2.gz VHDYAOPDZSMFHG-AWEZNQCLSA-N 2 1 277.412 0.838 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001268226197 812382663 /nfs/dbraw/zinc/38/26/63/812382663.db2.gz FEQYVYGVASINOW-STQMWFEESA-N 2 1 251.374 0.302 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001268322775 812487996 /nfs/dbraw/zinc/48/79/96/812487996.db2.gz ZPHHSNJKKYDNMA-GJZGRUSLSA-N 2 1 297.443 0.751 20 30 CCEDMP COCC#CC[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001268424546 812558952 /nfs/dbraw/zinc/55/89/52/812558952.db2.gz WHBFPQIWULYXQM-ZDUSSCGKSA-N 2 1 292.383 0.326 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001028333093 812623010 /nfs/dbraw/zinc/62/30/10/812623010.db2.gz DHFAIEDATCFJSS-INIZCTEOSA-N 2 1 287.407 0.545 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447763 812710553 /nfs/dbraw/zinc/71/05/53/812710553.db2.gz TUNFRFHGSKKOLE-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447763 812710557 /nfs/dbraw/zinc/71/05/57/812710557.db2.gz TUNFRFHGSKKOLE-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028628942 813004981 /nfs/dbraw/zinc/00/49/81/813004981.db2.gz BWZFPRPSKKMENU-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028628942 813004991 /nfs/dbraw/zinc/00/49/91/813004991.db2.gz BWZFPRPSKKMENU-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028628942 813004996 /nfs/dbraw/zinc/00/49/96/813004996.db2.gz BWZFPRPSKKMENU-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628942 813005004 /nfs/dbraw/zinc/00/50/04/813005004.db2.gz BWZFPRPSKKMENU-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628942 813005014 /nfs/dbraw/zinc/00/50/14/813005014.db2.gz BWZFPRPSKKMENU-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001268747979 813063343 /nfs/dbraw/zinc/06/33/43/813063343.db2.gz WNYMNTGAMJUOQZ-CYBMUJFWSA-N 2 1 269.389 0.024 20 30 CCEDMP COCC#CC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268916171 813145267 /nfs/dbraw/zinc/14/52/67/813145267.db2.gz ZZPFKJWSPVPCTE-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001269034080 813185926 /nfs/dbraw/zinc/18/59/26/813185926.db2.gz OUXSFBIOCSVDSC-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001269034080 813185929 /nfs/dbraw/zinc/18/59/29/813185929.db2.gz OUXSFBIOCSVDSC-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001269034080 813185932 /nfs/dbraw/zinc/18/59/32/813185932.db2.gz OUXSFBIOCSVDSC-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001269095224 813212964 /nfs/dbraw/zinc/21/29/64/813212964.db2.gz ONTDXXGPMRVHSF-CYBMUJFWSA-N 2 1 262.357 0.862 20 30 CCEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001269407580 813360096 /nfs/dbraw/zinc/36/00/96/813360096.db2.gz FVQYBUXYKGDKGU-MGPQQGTHSA-N 2 1 265.401 0.834 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127065605 815620515 /nfs/dbraw/zinc/62/05/15/815620515.db2.gz BVLIDNYLEZLQEB-CQSZACIVSA-N 2 1 281.400 0.215 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001271953616 814648695 /nfs/dbraw/zinc/64/86/95/814648695.db2.gz HUPUSZAJRUPYBY-OKILXGFUSA-N 2 1 279.384 0.180 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001271953616 814648698 /nfs/dbraw/zinc/64/86/98/814648698.db2.gz HUPUSZAJRUPYBY-OKILXGFUSA-N 2 1 279.384 0.180 20 30 CCEDMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001271984438 814661629 /nfs/dbraw/zinc/66/16/29/814661629.db2.gz KFNOLHTWAOMPKE-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001271984438 814661633 /nfs/dbraw/zinc/66/16/33/814661633.db2.gz KFNOLHTWAOMPKE-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001271984438 814661636 /nfs/dbraw/zinc/66/16/36/814661636.db2.gz KFNOLHTWAOMPKE-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001271984438 814661641 /nfs/dbraw/zinc/66/16/41/814661641.db2.gz KFNOLHTWAOMPKE-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001088424871 814681395 /nfs/dbraw/zinc/68/13/95/814681395.db2.gz HVGLUNHTYNIHRI-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001272049136 814882440 /nfs/dbraw/zinc/88/24/40/814882440.db2.gz NBLQZHDBIHNVON-CYBMUJFWSA-N 2 1 253.390 0.740 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030348624 815988505 /nfs/dbraw/zinc/98/85/05/815988505.db2.gz VMELLMCVOBKDGU-UONOGXRCSA-N 2 1 279.384 0.226 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030348624 815988507 /nfs/dbraw/zinc/98/85/07/815988507.db2.gz VMELLMCVOBKDGU-UONOGXRCSA-N 2 1 279.384 0.226 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105941920 816017065 /nfs/dbraw/zinc/01/70/65/816017065.db2.gz QJRISEHTRFQDQE-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC001088860662 816092140 /nfs/dbraw/zinc/09/21/40/816092140.db2.gz WIXKDLLWTRZGJH-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC001088860662 816092144 /nfs/dbraw/zinc/09/21/44/816092144.db2.gz WIXKDLLWTRZGJH-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC001088860662 816092151 /nfs/dbraw/zinc/09/21/51/816092151.db2.gz WIXKDLLWTRZGJH-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC001088860662 816092158 /nfs/dbraw/zinc/09/21/58/816092158.db2.gz WIXKDLLWTRZGJH-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030960297 816506441 /nfs/dbraw/zinc/50/64/41/816506441.db2.gz KJFBJEAZGGXXOB-OCCSQVGLSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030960297 816506446 /nfs/dbraw/zinc/50/64/46/816506446.db2.gz KJFBJEAZGGXXOB-OCCSQVGLSA-N 2 1 265.401 0.951 20 30 CCEDMP C[N@@H+](CCOCC[NH3+])C[C@H](O)c1ccc(C#N)cc1 ZINC000699456129 816729501 /nfs/dbraw/zinc/72/95/01/816729501.db2.gz ZOXUUVJMVCHQPC-AWEZNQCLSA-N 2 1 263.341 0.499 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981658 817567996 /nfs/dbraw/zinc/56/79/96/817567996.db2.gz YPDLHOOLUGLVGT-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001124872724 817607138 /nfs/dbraw/zinc/60/71/38/817607138.db2.gz MCDXNFCHQOYUEP-CYBMUJFWSA-N 2 1 292.408 0.920 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032960318 818390219 /nfs/dbraw/zinc/39/02/19/818390219.db2.gz QWEGQXUAGLQDJK-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033096989 818514122 /nfs/dbraw/zinc/51/41/22/818514122.db2.gz SLPHMNBSQAOOHX-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033096989 818514130 /nfs/dbraw/zinc/51/41/30/818514130.db2.gz SLPHMNBSQAOOHX-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033096989 818514139 /nfs/dbraw/zinc/51/41/39/818514139.db2.gz SLPHMNBSQAOOHX-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033596280 818842577 /nfs/dbraw/zinc/84/25/77/818842577.db2.gz XMKBILYYWFPAOM-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033596280 818842579 /nfs/dbraw/zinc/84/25/79/818842579.db2.gz XMKBILYYWFPAOM-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033596280 818842581 /nfs/dbraw/zinc/84/25/81/818842581.db2.gz XMKBILYYWFPAOM-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033662222 818882790 /nfs/dbraw/zinc/88/27/90/818882790.db2.gz PAEOMQKAAQMWLW-QWHCGFSZSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033662222 818882795 /nfs/dbraw/zinc/88/27/95/818882795.db2.gz PAEOMQKAAQMWLW-QWHCGFSZSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033662222 818882797 /nfs/dbraw/zinc/88/27/97/818882797.db2.gz PAEOMQKAAQMWLW-QWHCGFSZSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001033786850 818935426 /nfs/dbraw/zinc/93/54/26/818935426.db2.gz ACESVRWGDYFMKT-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034014277 819032228 /nfs/dbraw/zinc/03/22/28/819032228.db2.gz VZVWAEMZZWWGNO-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034014277 819032235 /nfs/dbraw/zinc/03/22/35/819032235.db2.gz VZVWAEMZZWWGNO-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034207687 819124899 /nfs/dbraw/zinc/12/48/99/819124899.db2.gz NOWQYNCKQMFXJP-HZPDHXFCSA-N 2 1 289.423 0.932 20 30 CCEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001035613910 819590220 /nfs/dbraw/zinc/59/02/20/819590220.db2.gz MKGZOPLICOZHAI-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035613910 819590223 /nfs/dbraw/zinc/59/02/23/819590223.db2.gz MKGZOPLICOZHAI-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035613910 819590235 /nfs/dbraw/zinc/59/02/35/819590235.db2.gz MKGZOPLICOZHAI-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C[NH+]1CCCCC1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001273146833 819972998 /nfs/dbraw/zinc/97/29/98/819972998.db2.gz TVDJWQDXIKZOGM-GASCZTMLSA-N 2 1 293.411 0.570 20 30 CCEDMP C=C(C[NH+]1CCCCC1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001273146833 819973004 /nfs/dbraw/zinc/97/30/04/819973004.db2.gz TVDJWQDXIKZOGM-GASCZTMLSA-N 2 1 293.411 0.570 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081445935 820776176 /nfs/dbraw/zinc/77/61/76/820776176.db2.gz HJKYZWIWMMJXOV-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081445935 820776182 /nfs/dbraw/zinc/77/61/82/820776182.db2.gz HJKYZWIWMMJXOV-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081445935 820776189 /nfs/dbraw/zinc/77/61/89/820776189.db2.gz HJKYZWIWMMJXOV-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081445935 820776192 /nfs/dbraw/zinc/77/61/92/820776192.db2.gz HJKYZWIWMMJXOV-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326329 820940056 /nfs/dbraw/zinc/94/00/56/820940056.db2.gz YTHAGIZJPXUNRR-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326329 820940063 /nfs/dbraw/zinc/94/00/63/820940063.db2.gz YTHAGIZJPXUNRR-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326329 820940070 /nfs/dbraw/zinc/94/00/70/820940070.db2.gz YTHAGIZJPXUNRR-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326329 820940077 /nfs/dbraw/zinc/94/00/77/820940077.db2.gz YTHAGIZJPXUNRR-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326941 820940810 /nfs/dbraw/zinc/94/08/10/820940810.db2.gz VZFJNRAHZKTPOT-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326941 820940818 /nfs/dbraw/zinc/94/08/18/820940818.db2.gz VZFJNRAHZKTPOT-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326941 820940825 /nfs/dbraw/zinc/94/08/25/820940825.db2.gz VZFJNRAHZKTPOT-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166694890 821283128 /nfs/dbraw/zinc/28/31/28/821283128.db2.gz YIVUWVOZKLJQCB-ZIAGYGMSSA-N 2 1 283.416 0.483 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084630668 821330129 /nfs/dbraw/zinc/33/01/29/821330129.db2.gz POZLNACMDRWDEH-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085093077 821493644 /nfs/dbraw/zinc/49/36/44/821493644.db2.gz DXGPOJVKFKWUIS-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085093077 821493645 /nfs/dbraw/zinc/49/36/45/821493645.db2.gz DXGPOJVKFKWUIS-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085093077 821493652 /nfs/dbraw/zinc/49/36/52/821493652.db2.gz DXGPOJVKFKWUIS-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598341 821842998 /nfs/dbraw/zinc/84/29/98/821842998.db2.gz REIIKQRKYMLRKE-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001273358428 821923107 /nfs/dbraw/zinc/92/31/07/821923107.db2.gz FEOAFPRSVFGERN-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100079036 822244819 /nfs/dbraw/zinc/24/48/19/822244819.db2.gz SLDLGXJTEKVFHJ-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100079036 822244827 /nfs/dbraw/zinc/24/48/27/822244827.db2.gz SLDLGXJTEKVFHJ-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100079036 822244834 /nfs/dbraw/zinc/24/48/34/822244834.db2.gz SLDLGXJTEKVFHJ-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130192491 837719390 /nfs/dbraw/zinc/71/93/90/837719390.db2.gz NRPDMERPLFQCSB-QWHCGFSZSA-N 2 1 251.374 0.895 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398341 835999959 /nfs/dbraw/zinc/99/99/59/835999959.db2.gz GJZHJMVFCUKYOD-INIZCTEOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130710765 837899092 /nfs/dbraw/zinc/89/90/92/837899092.db2.gz DBPCYFNZDBWQDU-ZDUSSCGKSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277059 838352309 /nfs/dbraw/zinc/35/23/09/838352309.db2.gz ANNFHPRSJIELML-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132436604 838398734 /nfs/dbraw/zinc/39/87/34/838398734.db2.gz MXYRJGRSELONHQ-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132436604 838398738 /nfs/dbraw/zinc/39/87/38/838398738.db2.gz MXYRJGRSELONHQ-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132436604 838398740 /nfs/dbraw/zinc/39/87/40/838398740.db2.gz MXYRJGRSELONHQ-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132977339 838528514 /nfs/dbraw/zinc/52/85/14/838528514.db2.gz LCIYWPORVUMSLH-HIFRSBDPSA-N 2 1 288.395 0.899 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001133004904 838531212 /nfs/dbraw/zinc/53/12/12/838531212.db2.gz OLMGIVSNSOQLJY-ZDUSSCGKSA-N 2 1 274.368 0.483 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1 ZINC001086720621 838934934 /nfs/dbraw/zinc/93/49/34/838934934.db2.gz GFYTXVHWGKIOQW-ZNMIVQPWSA-N 2 1 295.402 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1 ZINC001086720621 838934945 /nfs/dbraw/zinc/93/49/45/838934945.db2.gz GFYTXVHWGKIOQW-ZNMIVQPWSA-N 2 1 295.402 0.928 20 30 CCEDMP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135676022 839354175 /nfs/dbraw/zinc/35/41/75/839354175.db2.gz ORYMANUEBXXMFL-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246023858 839584041 /nfs/dbraw/zinc/58/40/41/839584041.db2.gz SKGAVPYRCOBZSN-KGLIPLIRSA-N 2 1 254.374 0.448 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001136499083 839637743 /nfs/dbraw/zinc/63/77/43/839637743.db2.gz KRPXFJANWAZPFN-AWEZNQCLSA-N 2 1 265.401 0.742 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186355833 844541529 /nfs/dbraw/zinc/54/15/29/844541529.db2.gz PAOHLSLGXVBHIZ-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=C(Br)C[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148638989 840873597 /nfs/dbraw/zinc/87/35/97/840873597.db2.gz WNWCWYKWWUXXTC-UHFFFAOYSA-N 2 1 292.221 0.943 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091788059 840965204 /nfs/dbraw/zinc/96/52/04/840965204.db2.gz RGTUVUGHWTUANI-VYDXJSESSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091788059 840965209 /nfs/dbraw/zinc/96/52/09/840965209.db2.gz RGTUVUGHWTUANI-VYDXJSESSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091788059 840965221 /nfs/dbraw/zinc/96/52/21/840965221.db2.gz RGTUVUGHWTUANI-VYDXJSESSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036895872 841663886 /nfs/dbraw/zinc/66/38/86/841663886.db2.gz FWJYWKVDYCGBJA-GJZGRUSLSA-N 2 1 275.396 0.638 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181822601 843622203 /nfs/dbraw/zinc/62/22/03/843622203.db2.gz SIGMWSYHBJWLGW-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181822601 843622208 /nfs/dbraw/zinc/62/22/08/843622208.db2.gz SIGMWSYHBJWLGW-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676329 843884390 /nfs/dbraw/zinc/88/43/90/843884390.db2.gz HKCWZPTZWYZZKM-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001187299270 844701168 /nfs/dbraw/zinc/70/11/68/844701168.db2.gz YRDFMSXBBWYTKG-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCCC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273542772 844734475 /nfs/dbraw/zinc/73/44/75/844734475.db2.gz ZPIZGZZQFJSTOU-INIZCTEOSA-N 2 1 293.411 0.265 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001187982816 844812627 /nfs/dbraw/zinc/81/26/27/844812627.db2.gz RZKSGHHUKYYLMQ-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001187982816 844812630 /nfs/dbraw/zinc/81/26/30/844812630.db2.gz RZKSGHHUKYYLMQ-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001187983015 844812801 /nfs/dbraw/zinc/81/28/01/844812801.db2.gz WHEOAJNJEGEXJE-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001187983015 844812803 /nfs/dbraw/zinc/81/28/03/844812803.db2.gz WHEOAJNJEGEXJE-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516782 845153783 /nfs/dbraw/zinc/15/37/83/845153783.db2.gz LQRSHPPYWGGFAC-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516782 845153790 /nfs/dbraw/zinc/15/37/90/845153790.db2.gz LQRSHPPYWGGFAC-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189516782 845153796 /nfs/dbraw/zinc/15/37/96/845153796.db2.gz LQRSHPPYWGGFAC-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189516782 845153801 /nfs/dbraw/zinc/15/38/01/845153801.db2.gz LQRSHPPYWGGFAC-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193782222 846153843 /nfs/dbraw/zinc/15/38/43/846153843.db2.gz UWMFGHYYVHUOTN-MGPQQGTHSA-N 2 1 281.400 0.064 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193782222 846153847 /nfs/dbraw/zinc/15/38/47/846153847.db2.gz UWMFGHYYVHUOTN-MGPQQGTHSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194037672 846199267 /nfs/dbraw/zinc/19/92/67/846199267.db2.gz IAYFFLWBMMDKKJ-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152148355 846403022 /nfs/dbraw/zinc/40/30/22/846403022.db2.gz ORQCBCHYTFPTLS-OKILXGFUSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869916 846642321 /nfs/dbraw/zinc/64/23/21/846642321.db2.gz FYABLSATOVQVFR-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152457510 847119834 /nfs/dbraw/zinc/11/98/34/847119834.db2.gz GPDCLGDYNITTOQ-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CCNC(=O)[C@@H]1CC12CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001273826773 847614272 /nfs/dbraw/zinc/61/42/72/847614272.db2.gz HBXWMDIGDDSVKJ-HNNXBMFYSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057164 847852003 /nfs/dbraw/zinc/85/20/03/847852003.db2.gz DMQWGPYCJIIIMS-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001275915678 848865294 /nfs/dbraw/zinc/86/52/94/848865294.db2.gz OURMKZOUSMSGCO-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001276002388 848887581 /nfs/dbraw/zinc/88/75/81/848887581.db2.gz KXNCBLBQCGJTIC-CABCVRRESA-N 2 1 297.443 0.967 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041691956 850486414 /nfs/dbraw/zinc/48/64/14/850486414.db2.gz HPYMBIUYUJFEDO-GOEBONIOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043884008 850958018 /nfs/dbraw/zinc/95/80/18/850958018.db2.gz ZJEJVAZPVWSOJE-TZMCWYRMSA-N 2 1 263.385 0.350 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043884008 850958027 /nfs/dbraw/zinc/95/80/27/850958027.db2.gz ZJEJVAZPVWSOJE-TZMCWYRMSA-N 2 1 263.385 0.350 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044188606 851036953 /nfs/dbraw/zinc/03/69/53/851036953.db2.gz MMUXDYRZRUOGEJ-ZDUSSCGKSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044188606 851036960 /nfs/dbraw/zinc/03/69/60/851036960.db2.gz MMUXDYRZRUOGEJ-ZDUSSCGKSA-N 2 1 263.385 0.494 20 30 CCEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046416485 851494464 /nfs/dbraw/zinc/49/44/64/851494464.db2.gz ZGCHGRDWOWHVAN-FMKPAKJESA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046416485 851494469 /nfs/dbraw/zinc/49/44/69/851494469.db2.gz ZGCHGRDWOWHVAN-FMKPAKJESA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046416485 851494479 /nfs/dbraw/zinc/49/44/79/851494479.db2.gz ZGCHGRDWOWHVAN-FMKPAKJESA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046416485 851494486 /nfs/dbraw/zinc/49/44/86/851494486.db2.gz ZGCHGRDWOWHVAN-FMKPAKJESA-N 2 1 295.427 0.862 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046596524 851559912 /nfs/dbraw/zinc/55/99/12/851559912.db2.gz ZAOKXHKLQXSJCK-MRXNPFEDSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829492 852075611 /nfs/dbraw/zinc/07/56/11/852075611.db2.gz PMHAJSFFFSIGKK-APIJFGDWSA-N 2 1 275.396 0.350 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829492 852075619 /nfs/dbraw/zinc/07/56/19/852075619.db2.gz PMHAJSFFFSIGKK-APIJFGDWSA-N 2 1 275.396 0.350 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829492 852075632 /nfs/dbraw/zinc/07/56/32/852075632.db2.gz PMHAJSFFFSIGKK-APIJFGDWSA-N 2 1 275.396 0.350 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058487 852149428 /nfs/dbraw/zinc/14/94/28/852149428.db2.gz DXDXWXBZEIUROU-SOUVJXGZSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058487 852149432 /nfs/dbraw/zinc/14/94/32/852149432.db2.gz DXDXWXBZEIUROU-SOUVJXGZSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058487 852149435 /nfs/dbraw/zinc/14/94/35/852149435.db2.gz DXDXWXBZEIUROU-SOUVJXGZSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001049064438 852152826 /nfs/dbraw/zinc/15/28/26/852152826.db2.gz GIKMQMRUMQIKOP-ZNMIVQPWSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001049132637 852173521 /nfs/dbraw/zinc/17/35/21/852173521.db2.gz VKPZVTRDRVDGHH-IYBDPMFKSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049170815 852182985 /nfs/dbraw/zinc/18/29/85/852182985.db2.gz FWHPMPUQIMDPIR-KFWWJZLASA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049170815 852182988 /nfs/dbraw/zinc/18/29/88/852182988.db2.gz FWHPMPUQIMDPIR-KFWWJZLASA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049170815 852182991 /nfs/dbraw/zinc/18/29/91/852182991.db2.gz FWHPMPUQIMDPIR-KFWWJZLASA-N 2 1 275.396 0.352 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049172609 852184013 /nfs/dbraw/zinc/18/40/13/852184013.db2.gz YSATVBYQNNAKTP-SOUVJXGZSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049172609 852184015 /nfs/dbraw/zinc/18/40/15/852184015.db2.gz YSATVBYQNNAKTP-SOUVJXGZSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049172609 852184019 /nfs/dbraw/zinc/18/40/19/852184019.db2.gz YSATVBYQNNAKTP-SOUVJXGZSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001096914030 852466383 /nfs/dbraw/zinc/46/63/83/852466383.db2.gz CXZSKNKGYPOPDP-APIJFGDWSA-N 2 1 293.411 0.615 20 30 CCEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001096914030 852466387 /nfs/dbraw/zinc/46/63/87/852466387.db2.gz CXZSKNKGYPOPDP-APIJFGDWSA-N 2 1 293.411 0.615 20 30 CCEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001096914030 852466393 /nfs/dbraw/zinc/46/63/93/852466393.db2.gz CXZSKNKGYPOPDP-APIJFGDWSA-N 2 1 293.411 0.615 20 30 CCEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001096914030 852466397 /nfs/dbraw/zinc/46/63/97/852466397.db2.gz CXZSKNKGYPOPDP-APIJFGDWSA-N 2 1 293.411 0.615 20 30 CCEDMP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001051241318 853553240 /nfs/dbraw/zinc/55/32/40/853553240.db2.gz LKEULNHCTWCPTL-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001051241318 853553249 /nfs/dbraw/zinc/55/32/49/853553249.db2.gz LKEULNHCTWCPTL-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001051241318 853553254 /nfs/dbraw/zinc/55/32/54/853553254.db2.gz LKEULNHCTWCPTL-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001051241318 853553265 /nfs/dbraw/zinc/55/32/65/853553265.db2.gz LKEULNHCTWCPTL-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001072811967 854468395 /nfs/dbraw/zinc/46/83/95/854468395.db2.gz NJWDUOTUVJQVTM-UHFFFAOYSA-N 2 1 275.396 0.638 20 30 CCEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073554643 854592251 /nfs/dbraw/zinc/59/22/51/854592251.db2.gz KOGLWIFENQXJOY-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073554643 854592256 /nfs/dbraw/zinc/59/22/56/854592256.db2.gz KOGLWIFENQXJOY-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073554643 854592264 /nfs/dbraw/zinc/59/22/64/854592264.db2.gz KOGLWIFENQXJOY-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001075111418 854814267 /nfs/dbraw/zinc/81/42/67/854814267.db2.gz HUUIDJDLZBOXRO-ILXRZTDVSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001099119262 854916516 /nfs/dbraw/zinc/91/65/16/854916516.db2.gz LPTQETWONWBDFK-VYDXJSESSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001099119262 854916518 /nfs/dbraw/zinc/91/65/18/854916518.db2.gz LPTQETWONWBDFK-VYDXJSESSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001099119262 854916520 /nfs/dbraw/zinc/91/65/20/854916520.db2.gz LPTQETWONWBDFK-VYDXJSESSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879708 855015487 /nfs/dbraw/zinc/01/54/87/855015487.db2.gz OMHAGOREVPYIFK-KBPBESRZSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879708 855015495 /nfs/dbraw/zinc/01/54/95/855015495.db2.gz OMHAGOREVPYIFK-KBPBESRZSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879708 855015504 /nfs/dbraw/zinc/01/55/04/855015504.db2.gz OMHAGOREVPYIFK-KBPBESRZSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099898830 855024020 /nfs/dbraw/zinc/02/40/20/855024020.db2.gz INQWLCAZEBXSGG-OLZOCXBDSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898830 855024027 /nfs/dbraw/zinc/02/40/27/855024027.db2.gz INQWLCAZEBXSGG-OLZOCXBDSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898830 855024035 /nfs/dbraw/zinc/02/40/35/855024035.db2.gz INQWLCAZEBXSGG-OLZOCXBDSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974046 855058102 /nfs/dbraw/zinc/05/81/02/855058102.db2.gz MNRXYAQQMPPOGE-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100084831 855096399 /nfs/dbraw/zinc/09/63/99/855096399.db2.gz BPOPRNRGZSDFPW-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100084831 855096405 /nfs/dbraw/zinc/09/64/05/855096405.db2.gz BPOPRNRGZSDFPW-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100084831 855096416 /nfs/dbraw/zinc/09/64/16/855096416.db2.gz BPOPRNRGZSDFPW-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001100678614 855208067 /nfs/dbraw/zinc/20/80/67/855208067.db2.gz QRHSDILQFOXLMR-WLYUNCDWSA-N 2 1 277.412 0.836 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001100678613 855208120 /nfs/dbraw/zinc/20/81/20/855208120.db2.gz QRHSDILQFOXLMR-NFOMZHRRSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102495730 855440591 /nfs/dbraw/zinc/44/05/91/855440591.db2.gz JVLHPYXSPAFVDY-ZIAGYGMSSA-N 2 1 265.401 0.646 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102495730 855440595 /nfs/dbraw/zinc/44/05/95/855440595.db2.gz JVLHPYXSPAFVDY-ZIAGYGMSSA-N 2 1 265.401 0.646 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102495730 855440600 /nfs/dbraw/zinc/44/06/00/855440600.db2.gz JVLHPYXSPAFVDY-ZIAGYGMSSA-N 2 1 265.401 0.646 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514516 855442206 /nfs/dbraw/zinc/44/22/06/855442206.db2.gz ZVRBTPPBBVTEKS-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514516 855442207 /nfs/dbraw/zinc/44/22/07/855442207.db2.gz ZVRBTPPBBVTEKS-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514516 855442209 /nfs/dbraw/zinc/44/22/09/855442209.db2.gz ZVRBTPPBBVTEKS-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001114996685 855633511 /nfs/dbraw/zinc/63/35/11/855633511.db2.gz COPCATUEDFWDQX-FOLVSLTJSA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001323356785 912289191 /nfs/dbraw/zinc/28/91/91/912289191.db2.gz KKRINLZBMZCZSO-AWEZNQCLSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CC[N@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001323356785 912289179 /nfs/dbraw/zinc/28/91/79/912289179.db2.gz KKRINLZBMZCZSO-AWEZNQCLSA-N 2 1 263.385 0.686 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)CCn1ccnc1 ZINC001480991589 892027655 /nfs/dbraw/zinc/02/76/55/892027655.db2.gz ZAMRBQAOVZJNPS-UHFFFAOYSA-N 2 1 262.357 0.735 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001481070019 892129118 /nfs/dbraw/zinc/12/91/18/892129118.db2.gz GMGSHFAOGSFXEQ-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001481070019 892129123 /nfs/dbraw/zinc/12/91/23/892129123.db2.gz GMGSHFAOGSFXEQ-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001481070019 892129134 /nfs/dbraw/zinc/12/91/34/892129134.db2.gz GMGSHFAOGSFXEQ-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH2+]CCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001481279887 892508010 /nfs/dbraw/zinc/50/80/10/892508010.db2.gz OVDXRTJTDRVAQN-UHFFFAOYSA-N 2 1 290.367 0.565 20 30 CCEDMP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001481500502 892747244 /nfs/dbraw/zinc/74/72/44/892747244.db2.gz KJHJTUPGLVOULQ-OAHLLOKOSA-N 2 1 293.411 0.122 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001481500502 892747257 /nfs/dbraw/zinc/74/72/57/892747257.db2.gz KJHJTUPGLVOULQ-OAHLLOKOSA-N 2 1 293.411 0.122 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001481669352 892984371 /nfs/dbraw/zinc/98/43/71/892984371.db2.gz IULNRMZKALAIIU-UHFFFAOYSA-N 2 1 253.390 0.951 20 30 CCEDMP C#CC[NH2+][C@@H](CC)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001481820572 893187614 /nfs/dbraw/zinc/18/76/14/893187614.db2.gz GGXOMMDKZRPLMP-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482066702 893349245 /nfs/dbraw/zinc/34/92/45/893349245.db2.gz GNNUSCYLJLHNEU-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001482068439 893353419 /nfs/dbraw/zinc/35/34/19/893353419.db2.gz NFWZPNNYQYQYLY-CYBMUJFWSA-N 2 1 251.374 0.540 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001482123637 893411071 /nfs/dbraw/zinc/41/10/71/893411071.db2.gz SLYGVAWTFATHNQ-GFCCVEGCSA-N 2 1 262.357 0.557 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001482298495 893800845 /nfs/dbraw/zinc/80/08/45/893800845.db2.gz TUTGVSTURLIITD-GJZGRUSLSA-N 2 1 275.396 0.544 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001482298495 893800858 /nfs/dbraw/zinc/80/08/58/893800858.db2.gz TUTGVSTURLIITD-GJZGRUSLSA-N 2 1 275.396 0.544 20 30 CCEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001482570903 894254043 /nfs/dbraw/zinc/25/40/43/894254043.db2.gz PGUHUWCPMOBHRD-KGLIPLIRSA-N 2 1 265.401 0.692 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC=C ZINC001482842275 894645623 /nfs/dbraw/zinc/64/56/23/894645623.db2.gz ZDNYWHNELCEIQA-KGLIPLIRSA-N 2 1 263.385 0.754 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC=C ZINC001482842275 894645630 /nfs/dbraw/zinc/64/56/30/894645630.db2.gz ZDNYWHNELCEIQA-KGLIPLIRSA-N 2 1 263.385 0.754 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001483166567 895045457 /nfs/dbraw/zinc/04/54/57/895045457.db2.gz KPYKPDBDPPZSTH-DGCLKSJQSA-N 2 1 274.368 0.481 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001483166568 895048873 /nfs/dbraw/zinc/04/88/73/895048873.db2.gz KPYKPDBDPPZSTH-YPMHNXCESA-N 2 1 274.368 0.481 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001483409269 895548220 /nfs/dbraw/zinc/54/82/20/895548220.db2.gz JQIHYMWIWZBHAN-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CCC[NH2+]CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001483478976 895596308 /nfs/dbraw/zinc/59/63/08/895596308.db2.gz CTYKPMUTCKOVRK-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP C#CCC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001483588622 895670332 /nfs/dbraw/zinc/67/03/32/895670332.db2.gz WLIRJWGTGANSNW-HIFRSBDPSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CCC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001483598989 895672686 /nfs/dbraw/zinc/67/26/86/895672686.db2.gz PAMJHKBTVLRDFS-UKRRQHHQSA-N 2 1 277.412 0.836 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484306436 896327387 /nfs/dbraw/zinc/32/73/87/896327387.db2.gz MDNJRIJOJMBTLZ-CYBMUJFWSA-N 2 1 283.416 0.312 20 30 CCEDMP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001484311499 896334608 /nfs/dbraw/zinc/33/46/08/896334608.db2.gz AQNYTBPRQKZBST-AWEZNQCLSA-N 2 1 297.443 0.844 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001484380330 896371852 /nfs/dbraw/zinc/37/18/52/896371852.db2.gz HVQHPJDREXRQAX-KBPBESRZSA-N 2 1 265.401 0.646 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001484524350 896458690 /nfs/dbraw/zinc/45/86/90/896458690.db2.gz IBSHGEMAHGELAY-CABCVRRESA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCF)C1 ZINC001484524350 896458696 /nfs/dbraw/zinc/45/86/96/896458696.db2.gz IBSHGEMAHGELAY-CABCVRRESA-N 2 1 295.402 0.882 20 30 CCEDMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001484551593 896467712 /nfs/dbraw/zinc/46/77/12/896467712.db2.gz MGSMHTQMQQKYAH-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001484551593 896467716 /nfs/dbraw/zinc/46/77/16/896467716.db2.gz MGSMHTQMQQKYAH-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001484976036 896691583 /nfs/dbraw/zinc/69/15/83/896691583.db2.gz KUELSNUZPLXLKW-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)CC[N@H+](C)CC ZINC001485370289 897001623 /nfs/dbraw/zinc/00/16/23/897001623.db2.gz OPSCQGGAFUUVBK-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)CC ZINC001485370289 897001635 /nfs/dbraw/zinc/00/16/35/897001635.db2.gz OPSCQGGAFUUVBK-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP CC#CC[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)CC ZINC001485370289 897001647 /nfs/dbraw/zinc/00/16/47/897001647.db2.gz OPSCQGGAFUUVBK-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001485382462 897008809 /nfs/dbraw/zinc/00/88/09/897008809.db2.gz FLDMFQAIDRMMGT-KGLIPLIRSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485382462 897008825 /nfs/dbraw/zinc/00/88/25/897008825.db2.gz FLDMFQAIDRMMGT-KGLIPLIRSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485382462 897008840 /nfs/dbraw/zinc/00/88/40/897008840.db2.gz FLDMFQAIDRMMGT-KGLIPLIRSA-N 2 1 281.400 0.024 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC#CC)CC1 ZINC001485387898 897025092 /nfs/dbraw/zinc/02/50/92/897025092.db2.gz JSFOKJUBDCLXTO-OAHLLOKOSA-N 2 1 289.423 0.791 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212411791 897897283 /nfs/dbraw/zinc/89/72/83/897897283.db2.gz JGVXFIZKPXJNTQ-KFWWJZLASA-N 2 1 293.411 0.165 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212411791 897897290 /nfs/dbraw/zinc/89/72/90/897897290.db2.gz JGVXFIZKPXJNTQ-KFWWJZLASA-N 2 1 293.411 0.165 20 30 CCEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001485935896 898521787 /nfs/dbraw/zinc/52/17/87/898521787.db2.gz ZKPIBBZJPHMXNO-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001485935895 898523094 /nfs/dbraw/zinc/52/30/94/898523094.db2.gz ZKPIBBZJPHMXNO-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001486476984 898895472 /nfs/dbraw/zinc/89/54/72/898895472.db2.gz WLTIUCCPQKFSKA-NFOMZHRRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001488904676 900406762 /nfs/dbraw/zinc/40/67/62/900406762.db2.gz XLFBUWUYYLUMGV-ZNMIVQPWSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001488904676 900406766 /nfs/dbraw/zinc/40/67/66/900406766.db2.gz XLFBUWUYYLUMGV-ZNMIVQPWSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CCC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490232257 900572023 /nfs/dbraw/zinc/57/20/23/900572023.db2.gz BTLDPOKWPGBSSJ-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001490232257 900572032 /nfs/dbraw/zinc/57/20/32/900572032.db2.gz BTLDPOKWPGBSSJ-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001490232257 900572038 /nfs/dbraw/zinc/57/20/38/900572038.db2.gz BTLDPOKWPGBSSJ-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001490776683 900722864 /nfs/dbraw/zinc/72/28/64/900722864.db2.gz KCBQQPLYDAYIHA-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001316605348 904138809 /nfs/dbraw/zinc/13/88/09/904138809.db2.gz HIKQPXBPWOVKJM-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001316605348 904138802 /nfs/dbraw/zinc/13/88/02/904138802.db2.gz HIKQPXBPWOVKJM-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001316605348 904138816 /nfs/dbraw/zinc/13/88/16/904138816.db2.gz HIKQPXBPWOVKJM-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001281768341 904346481 /nfs/dbraw/zinc/34/64/81/904346481.db2.gz LYMLYGQOLNYRLJ-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001281768341 904346493 /nfs/dbraw/zinc/34/64/93/904346493.db2.gz LYMLYGQOLNYRLJ-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC001281965711 904379451 /nfs/dbraw/zinc/37/94/51/904379451.db2.gz WCNOSLVSTVNNEF-GFCCVEGCSA-N 2 1 260.341 0.508 20 30 CCEDMP C#CCN(C)C[C@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC001281965711 904379463 /nfs/dbraw/zinc/37/94/63/904379463.db2.gz WCNOSLVSTVNNEF-GFCCVEGCSA-N 2 1 260.341 0.508 20 30 CCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001283051356 904682402 /nfs/dbraw/zinc/68/24/02/904682402.db2.gz IAQYVTCBIDNCND-JOCQHMNTSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001316626150 904811966 /nfs/dbraw/zinc/81/19/66/904811966.db2.gz YQOGJMFUMUYKLI-MCIONIFRSA-N 2 1 263.385 0.446 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001283583234 904915320 /nfs/dbraw/zinc/91/53/20/904915320.db2.gz SNKQVAAAIXFAEH-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001491602279 907439280 /nfs/dbraw/zinc/43/92/80/907439280.db2.gz OJUFOISNZCJHPT-UONOGXRCSA-N 2 1 265.401 0.977 20 30 CCEDMP C=CCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492256739 907809824 /nfs/dbraw/zinc/80/98/24/907809824.db2.gz FUMFLVWFJHYUEZ-AWEZNQCLSA-N 2 1 265.401 0.952 20 30 CCEDMP CC#CC[NH2+][C@H](C)CCNC(=O)C[N@H+](C)CCC ZINC001317411260 908208475 /nfs/dbraw/zinc/20/84/75/908208475.db2.gz DJRLVUXICGBYOD-CYBMUJFWSA-N 2 1 253.390 0.836 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001328280222 908660084 /nfs/dbraw/zinc/66/00/84/908660084.db2.gz SABNIHKZSHCXMP-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317011115 908914528 /nfs/dbraw/zinc/91/45/28/908914528.db2.gz JFNWEPSNVXQPRA-GJZGRUSLSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317011115 908914541 /nfs/dbraw/zinc/91/45/41/908914541.db2.gz JFNWEPSNVXQPRA-GJZGRUSLSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317104307 908982293 /nfs/dbraw/zinc/98/22/93/908982293.db2.gz FSMYYKXUPVRJOX-FRRDWIJNSA-N 2 1 251.374 0.894 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317122401 908997248 /nfs/dbraw/zinc/99/72/48/908997248.db2.gz UJDSMGLDXJFWKG-GASCZTMLSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317186175 909035947 /nfs/dbraw/zinc/03/59/47/909035947.db2.gz JGGRJUWRDYHYAC-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317414141 909185176 /nfs/dbraw/zinc/18/51/76/909185176.db2.gz MDUPSGKWEMJQCI-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001317840799 909522814 /nfs/dbraw/zinc/52/28/14/909522814.db2.gz VHMFOLPWXNDGMK-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001317840799 909522825 /nfs/dbraw/zinc/52/28/25/909522825.db2.gz VHMFOLPWXNDGMK-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317840799 909522838 /nfs/dbraw/zinc/52/28/38/909522838.db2.gz VHMFOLPWXNDGMK-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001318276824 909685709 /nfs/dbraw/zinc/68/57/09/909685709.db2.gz UIIYCLMHYBIFQB-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001318276824 909685715 /nfs/dbraw/zinc/68/57/15/909685715.db2.gz UIIYCLMHYBIFQB-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001318276824 909685723 /nfs/dbraw/zinc/68/57/23/909685723.db2.gz UIIYCLMHYBIFQB-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001319168118 910014772 /nfs/dbraw/zinc/01/47/72/910014772.db2.gz RYKRIAFVWWJNQJ-ZIAGYGMSSA-N 2 1 281.400 0.072 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001319286698 910071588 /nfs/dbraw/zinc/07/15/88/910071588.db2.gz XZIPNUDGEOKMQI-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@H]21 ZINC001320111290 910471689 /nfs/dbraw/zinc/47/16/89/910471689.db2.gz NUTKBHCYPPJVRW-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001320111290 910471699 /nfs/dbraw/zinc/47/16/99/910471699.db2.gz NUTKBHCYPPJVRW-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP COCC#CC[NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001320445734 910675972 /nfs/dbraw/zinc/67/59/72/910675972.db2.gz ITOSUWIOUBGWCA-AWEZNQCLSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC ZINC001320450710 910681187 /nfs/dbraw/zinc/68/11/87/910681187.db2.gz RGEBAZKKXMLQKJ-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC ZINC001320450710 910681199 /nfs/dbraw/zinc/68/11/99/910681199.db2.gz RGEBAZKKXMLQKJ-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001321066700 911061160 /nfs/dbraw/zinc/06/11/60/911061160.db2.gz OADHOCHVMAFCHI-HYLRALAJSA-N 2 1 263.385 0.612 20 30 CCEDMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001321189166 911147249 /nfs/dbraw/zinc/14/72/49/911147249.db2.gz LKJQDXLBUCCAJD-MUBLQREKSA-N 2 1 251.374 0.919 20 30 CCEDMP C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001321418917 911291446 /nfs/dbraw/zinc/29/14/46/911291446.db2.gz LZMGUEPLNAXDEX-AFNCTOJWSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCF ZINC001321543522 911361803 /nfs/dbraw/zinc/36/18/03/911361803.db2.gz UKEUNWKTVRRJDM-NEPJUHHUSA-N 2 1 255.337 0.148 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCF ZINC001321543522 911361823 /nfs/dbraw/zinc/36/18/23/911361823.db2.gz UKEUNWKTVRRJDM-NEPJUHHUSA-N 2 1 255.337 0.148 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001321563235 911374723 /nfs/dbraw/zinc/37/47/23/911374723.db2.gz JBIVCSSWRZQDIH-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001329168939 915723101 /nfs/dbraw/zinc/72/31/01/915723101.db2.gz OCEKUWJPIHYTSZ-QWHCGFSZSA-N 2 1 253.390 0.834 20 30 CCEDMP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001330422514 916620324 /nfs/dbraw/zinc/62/03/24/916620324.db2.gz CSNJTIQRWYUCFI-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001330655528 916769154 /nfs/dbraw/zinc/76/91/54/916769154.db2.gz JTGWSKRGGCHGSW-IHRRRGAJSA-N 2 1 265.401 0.999 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001332049335 917823900 /nfs/dbraw/zinc/82/39/00/917823900.db2.gz OTPRGEDVHONULT-JSGCOSHPSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001332217482 917965064 /nfs/dbraw/zinc/96/50/64/917965064.db2.gz HOQSUSGLRGVYFV-KBPBESRZSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001332217482 917965074 /nfs/dbraw/zinc/96/50/74/917965074.db2.gz HOQSUSGLRGVYFV-KBPBESRZSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001332217482 917965095 /nfs/dbraw/zinc/96/50/95/917965095.db2.gz HOQSUSGLRGVYFV-KBPBESRZSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001332898891 918515124 /nfs/dbraw/zinc/51/51/24/918515124.db2.gz MNXBQDRQBLOUPP-KGLIPLIRSA-N 2 1 295.427 0.461 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001332898891 918515136 /nfs/dbraw/zinc/51/51/36/918515136.db2.gz MNXBQDRQBLOUPP-KGLIPLIRSA-N 2 1 295.427 0.461 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC001335986132 920545092 /nfs/dbraw/zinc/54/50/92/920545092.db2.gz KCVUIBVYKXDSSY-SJORKVTESA-N 2 1 294.439 0.976 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC001336771140 920994339 /nfs/dbraw/zinc/99/43/39/920994339.db2.gz PTDMMJHGLRRRCW-CQSZACIVSA-N 2 1 266.389 0.044 20 30 CCEDMP C#CC[NH2+]CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC001341556089 922551024 /nfs/dbraw/zinc/55/10/24/922551024.db2.gz SYCBDLVBBOSWAA-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001353632592 925890646 /nfs/dbraw/zinc/89/06/46/925890646.db2.gz CZOBCVCFHFJPCV-RRFJBIMHSA-N 2 1 292.427 0.581 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001353632592 925890649 /nfs/dbraw/zinc/89/06/49/925890649.db2.gz CZOBCVCFHFJPCV-RRFJBIMHSA-N 2 1 292.427 0.581 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001353632592 925890656 /nfs/dbraw/zinc/89/06/56/925890656.db2.gz CZOBCVCFHFJPCV-RRFJBIMHSA-N 2 1 292.427 0.581 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001356569590 926402140 /nfs/dbraw/zinc/40/21/40/926402140.db2.gz GCUSQRGVTJMBJD-GASCZTMLSA-N 2 1 295.427 0.605 20 30 CCEDMP CC[N@@H+]1CCO[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000073078943 348943333 /nfs/dbraw/zinc/94/33/33/348943333.db2.gz SUPNLNFUSJNSPO-AWEZNQCLSA-N 2 1 296.415 0.401 20 30 CCEDMP CC[N@H+]1CCO[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000073078943 348943334 /nfs/dbraw/zinc/94/33/34/348943334.db2.gz SUPNLNFUSJNSPO-AWEZNQCLSA-N 2 1 296.415 0.401 20 30 CCEDMP C=C[C@H](C(=O)OC)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603232002 363013998 /nfs/dbraw/zinc/01/39/98/363013998.db2.gz BYDWNAXIWMJHSJ-CYBMUJFWSA-N 2 1 293.371 0.144 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000313105284 354212336 /nfs/dbraw/zinc/21/23/36/354212336.db2.gz YVPJRTURXOBACI-FZMZJTMJSA-N 2 1 280.372 0.059 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000313105284 354212340 /nfs/dbraw/zinc/21/23/40/354212340.db2.gz YVPJRTURXOBACI-FZMZJTMJSA-N 2 1 280.372 0.059 20 30 CCEDMP C=CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338284130 355311745 /nfs/dbraw/zinc/31/17/45/355311745.db2.gz KAELIBJMUFKFCE-UHFFFAOYSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338284130 355311750 /nfs/dbraw/zinc/31/17/50/355311750.db2.gz KAELIBJMUFKFCE-UHFFFAOYSA-N 2 1 251.374 0.801 20 30 CCEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOCCC#N)CC2)C1 ZINC000590167511 359428343 /nfs/dbraw/zinc/42/83/43/359428343.db2.gz XZRHQWGOJVGNLX-HNNXBMFYSA-N 2 1 280.416 0.628 20 30 CCEDMP C[N@H+]1CCC[C@H](N2CC[NH+](CCOCCC#N)CC2)C1 ZINC000590167511 359428350 /nfs/dbraw/zinc/42/83/50/359428350.db2.gz XZRHQWGOJVGNLX-HNNXBMFYSA-N 2 1 280.416 0.628 20 30 CCEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000611266464 363699676 /nfs/dbraw/zinc/69/96/76/363699676.db2.gz YJKNOMPHPAODRW-LSDHHAIUSA-N 2 1 267.417 0.635 20 30 CCEDMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441807 360309856 /nfs/dbraw/zinc/30/98/56/360309856.db2.gz XABHJZCQBLQGKI-VXGBXAGGSA-N 2 1 252.362 0.608 20 30 CCEDMP C[NH+](C)CCC[C@H]1C[N@H+](CCOCCC#N)CCO1 ZINC000595907201 360700055 /nfs/dbraw/zinc/70/00/55/360700055.db2.gz SSFSTHSNEDDZMN-AWEZNQCLSA-N 2 1 269.389 0.959 20 30 CCEDMP C[NH+](C)CCC[C@H]1C[N@@H+](CCOCCC#N)CCO1 ZINC000595907201 360700061 /nfs/dbraw/zinc/70/00/61/360700061.db2.gz SSFSTHSNEDDZMN-AWEZNQCLSA-N 2 1 269.389 0.959 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)C[C@H]1C[C@@H](O)C1)C[C@H]1C[C@@H](O)C1 ZINC000626046813 368412226 /nfs/dbraw/zinc/41/22/26/368412226.db2.gz SKOKGZNPKUQLSB-RUPPMWDTSA-N 2 1 280.412 0.395 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681861 375912495 /nfs/dbraw/zinc/91/24/95/375912495.db2.gz GDTORULYMDTZBB-UHFFFAOYSA-N 2 1 274.368 0.896 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681861 375912500 /nfs/dbraw/zinc/91/25/00/375912500.db2.gz GDTORULYMDTZBB-UHFFFAOYSA-N 2 1 274.368 0.896 20 30 CCEDMP CC1CCN(C(=[NH2+])NCCN2CCC[N@@H+](C)CC2)CC1 ZINC000303368893 389081363 /nfs/dbraw/zinc/08/13/63/389081363.db2.gz JFPPVKNZQCCAAN-UHFFFAOYSA-N 2 1 281.448 0.671 20 30 CCEDMP C=CC[N@H+](CCOC)CCC(=O)N1CC[NH+](C)CC1 ZINC000338355319 389110225 /nfs/dbraw/zinc/11/02/25/389110225.db2.gz IWCNYEWPLPNSFZ-UHFFFAOYSA-N 2 1 269.389 0.285 20 30 CCEDMP C=CC[N@@H+](CCOC)CCC(=O)N1CC[NH+](C)CC1 ZINC000338355319 389110228 /nfs/dbraw/zinc/11/02/28/389110228.db2.gz IWCNYEWPLPNSFZ-UHFFFAOYSA-N 2 1 269.389 0.285 20 30 CCEDMP CN(CC[N@@H+](C)CCOCCC#N)C1CC[NH+](C)CC1 ZINC000339055051 389123383 /nfs/dbraw/zinc/12/33/83/389123383.db2.gz UJOMLBHSXKWDOG-UHFFFAOYSA-N 2 1 282.432 0.874 20 30 CCEDMP O[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000339782858 389139742 /nfs/dbraw/zinc/13/97/42/389139742.db2.gz ZRYWDIGFXOTBDE-HOTGVXAUSA-N 2 1 280.412 0.683 20 30 CCEDMP CN(C)C(=[NH+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)N(C)C ZINC000360573286 389199830 /nfs/dbraw/zinc/19/98/30/389199830.db2.gz PZBLMYFIZKGIHH-RYUDHWBXSA-N 2 1 254.378 0.329 20 30 CCEDMP CC(C)[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000330713891 389253147 /nfs/dbraw/zinc/25/31/47/389253147.db2.gz ZMIHESUUJGWEJB-CYBMUJFWSA-N 2 1 285.436 0.076 20 30 CCEDMP CC(C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000330713891 389253151 /nfs/dbraw/zinc/25/31/51/389253151.db2.gz ZMIHESUUJGWEJB-CYBMUJFWSA-N 2 1 285.436 0.076 20 30 CCEDMP CC(C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000330713891 389253152 /nfs/dbraw/zinc/25/31/52/389253152.db2.gz ZMIHESUUJGWEJB-CYBMUJFWSA-N 2 1 285.436 0.076 20 30 CCEDMP CN1CC[NH+]=C1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000262471838 389287395 /nfs/dbraw/zinc/28/73/95/389287395.db2.gz BGAZFLQVJDGXCD-HNNXBMFYSA-N 2 1 288.395 0.644 20 30 CCEDMP C[C@H](CNC(=[NH2+])Nc1ccccn1)C[NH+]1CCOCC1 ZINC000178564697 389610653 /nfs/dbraw/zinc/61/06/53/389610653.db2.gz SPXJRGIGQYLOEU-GFCCVEGCSA-N 2 1 277.372 0.777 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338397 389985802 /nfs/dbraw/zinc/98/58/02/389985802.db2.gz KVGHWIIJBSGZBJ-MELADBBJSA-N 2 1 265.401 0.999 20 30 CCEDMP C=CC[C@@]1(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CCC[NH2+]1 ZINC000662759616 414769411 /nfs/dbraw/zinc/76/94/11/414769411.db2.gz UNUNYNBFHQJWRI-HIFRSBDPSA-N 2 1 280.416 0.047 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC000334505411 264360734 /nfs/dbraw/zinc/36/07/34/264360734.db2.gz LUYACEYTQMUVDZ-HIFRSBDPSA-N 2 1 292.427 0.982 20 30 CCEDMP C=C[C@H]1CCCCN1CC(=O)N1CCN(C)CC1 ZINC000335852578 265222892 /nfs/dbraw/zinc/22/28/92/265222892.db2.gz TUGLMIASQHFFIM-ZDUSSCGKSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362800850 267047442 /nfs/dbraw/zinc/04/74/42/267047442.db2.gz JFUJUGKSTSYQBN-JSGCOSHPSA-N 2 1 265.401 0.951 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@@H](COC)C1 ZINC000262430996 330010283 /nfs/dbraw/zinc/01/02/83/330010283.db2.gz DYYCJXWOUHRIKQ-QWHCGFSZSA-N 2 1 268.405 0.482 20 30 CCEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262505430 330018594 /nfs/dbraw/zinc/01/85/94/330018594.db2.gz ZTLNMUVWQIXOMD-STQMWFEESA-N 2 1 284.404 0.133 20 30 CCEDMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424129640 330260095 /nfs/dbraw/zinc/26/00/95/330260095.db2.gz GJJPAGMKYKCLHH-QWHCGFSZSA-N 2 1 266.389 0.856 20 30 CCEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424133340 330265608 /nfs/dbraw/zinc/26/56/08/330265608.db2.gz LZJVQXFTPHGMLZ-DGCLKSJQSA-N 2 1 277.372 0.965 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424300498 330337152 /nfs/dbraw/zinc/33/71/52/330337152.db2.gz WJVHZSTXBTZTPX-GFCCVEGCSA-N 2 1 294.399 0.462 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000490679659 332103155 /nfs/dbraw/zinc/10/31/55/332103155.db2.gz UDPQZMRUYGMLDB-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000491069172 332145327 /nfs/dbraw/zinc/14/53/27/332145327.db2.gz UCKBZVZPQXBVAZ-SOUVJXGZSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000491381525 332201119 /nfs/dbraw/zinc/20/11/19/332201119.db2.gz FXRTYGAVXVYTMK-UONOGXRCSA-N 2 1 278.400 0.192 20 30 CCEDMP C#CCNC(=O)C1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000491387847 332202656 /nfs/dbraw/zinc/20/26/56/332202656.db2.gz YXWVZUFPXSEGJO-UHFFFAOYSA-N 2 1 288.395 0.814 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000491473162 332217454 /nfs/dbraw/zinc/21/74/54/332217454.db2.gz BGUJHXAAZGECDR-OAHLLOKOSA-N 2 1 294.443 0.971 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+](C(C)C)C1 ZINC000491473162 332217455 /nfs/dbraw/zinc/21/74/55/332217455.db2.gz BGUJHXAAZGECDR-OAHLLOKOSA-N 2 1 294.443 0.971 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+](C(C)C)C1 ZINC000491473162 332217457 /nfs/dbraw/zinc/21/74/57/332217457.db2.gz BGUJHXAAZGECDR-OAHLLOKOSA-N 2 1 294.443 0.971 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000491524832 332229917 /nfs/dbraw/zinc/22/99/17/332229917.db2.gz OIKSLUKEWOWYDQ-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000491524832 332229918 /nfs/dbraw/zinc/22/99/18/332229918.db2.gz OIKSLUKEWOWYDQ-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000491524832 332229919 /nfs/dbraw/zinc/22/99/19/332229919.db2.gz OIKSLUKEWOWYDQ-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000491537905 332232799 /nfs/dbraw/zinc/23/27/99/332232799.db2.gz UTDUKKRQMCFLFR-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000491663652 332272726 /nfs/dbraw/zinc/27/27/26/332272726.db2.gz HEGQJSISRYCLEX-KBPBESRZSA-N 2 1 280.416 0.629 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000491751295 332327732 /nfs/dbraw/zinc/32/77/32/332327732.db2.gz KIOQIZCVBNRLHX-UHFFFAOYSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000734447316 581564106 /nfs/dbraw/zinc/56/41/06/581564106.db2.gz MQHOYEQKJBPYCK-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000734447316 581564107 /nfs/dbraw/zinc/56/41/07/581564107.db2.gz MQHOYEQKJBPYCK-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000734447316 581564108 /nfs/dbraw/zinc/56/41/08/581564108.db2.gz MQHOYEQKJBPYCK-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000734447316 581564109 /nfs/dbraw/zinc/56/41/09/581564109.db2.gz MQHOYEQKJBPYCK-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C[N@H+](CC1CC[NH+](C)CC1)Cn1cccc(C#N)c1=O ZINC000758217988 581728294 /nfs/dbraw/zinc/72/82/94/581728294.db2.gz AOHGUFJWATXLKQ-UHFFFAOYSA-N 2 1 274.368 0.951 20 30 CCEDMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1cccc(C#N)c1=O ZINC000758217988 581728295 /nfs/dbraw/zinc/72/82/95/581728295.db2.gz AOHGUFJWATXLKQ-UHFFFAOYSA-N 2 1 274.368 0.951 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000732058268 581800068 /nfs/dbraw/zinc/80/00/68/581800068.db2.gz QVQUBFZWECIGMH-KKUMJFAQSA-N 2 1 275.396 0.827 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000774100607 581959620 /nfs/dbraw/zinc/95/96/20/581959620.db2.gz KCYVEYVMYUXAFU-ZDUSSCGKSA-N 2 1 283.416 0.408 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968646267 613013890 /nfs/dbraw/zinc/01/38/90/613013890.db2.gz CUZFGTGIUBJWQF-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968646267 613013889 /nfs/dbraw/zinc/01/38/89/613013889.db2.gz CUZFGTGIUBJWQF-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000895057250 613073359 /nfs/dbraw/zinc/07/33/59/613073359.db2.gz TXKADYRIRIECEB-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000895057250 613073361 /nfs/dbraw/zinc/07/33/61/613073361.db2.gz TXKADYRIRIECEB-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1([NH+](C)C)CC1 ZINC000922630806 613074980 /nfs/dbraw/zinc/07/49/80/613074980.db2.gz RWCTZOXXXUZFRW-UHFFFAOYSA-N 2 1 266.389 0.335 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000764578122 613365808 /nfs/dbraw/zinc/36/58/08/613365808.db2.gz WFWSCMYKYZZCRJ-AAEUAGOBSA-N 2 1 253.390 0.903 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000895057250 613073358 /nfs/dbraw/zinc/07/33/58/613073358.db2.gz TXKADYRIRIECEB-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](COC)[C@@H]1CCCOC1 ZINC000883223955 613079089 /nfs/dbraw/zinc/07/90/89/613079089.db2.gz BBIZJISRCWIADN-CABCVRRESA-N 2 1 268.401 0.973 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](COC)[C@@H]1CCCOC1 ZINC000883223955 613079090 /nfs/dbraw/zinc/07/90/90/613079090.db2.gz BBIZJISRCWIADN-CABCVRRESA-N 2 1 268.401 0.973 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000972334771 613089718 /nfs/dbraw/zinc/08/97/18/613089718.db2.gz JUSSEKZGIALAKM-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000972334771 613089719 /nfs/dbraw/zinc/08/97/19/613089719.db2.gz JUSSEKZGIALAKM-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000972334771 613089720 /nfs/dbraw/zinc/08/97/20/613089720.db2.gz JUSSEKZGIALAKM-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969660010 613124037 /nfs/dbraw/zinc/12/40/37/613124037.db2.gz MFTLDRJSDSAGNF-DZGCQCFKSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969660010 613124039 /nfs/dbraw/zinc/12/40/39/613124039.db2.gz MFTLDRJSDSAGNF-DZGCQCFKSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCCF)CC2)CC1 ZINC000862111119 613129323 /nfs/dbraw/zinc/12/93/23/613129323.db2.gz BFPBDXICGDOVJZ-UHFFFAOYSA-N 2 1 295.402 0.835 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CC1 ZINC000887934639 613130039 /nfs/dbraw/zinc/13/00/39/613130039.db2.gz PFLCDFDYINRBJM-WBVHZDCISA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](CC)C[C@@H]2C)CC1 ZINC000921406333 613135543 /nfs/dbraw/zinc/13/55/43/613135543.db2.gz HDGYSSOMXYZQGT-ZFWWWQNUSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000981954973 613151696 /nfs/dbraw/zinc/15/16/96/613151696.db2.gz KPLIDNQGPHYPRF-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000981954973 613151697 /nfs/dbraw/zinc/15/16/97/613151697.db2.gz KPLIDNQGPHYPRF-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000981954973 613151698 /nfs/dbraw/zinc/15/16/98/613151698.db2.gz KPLIDNQGPHYPRF-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000981954973 613151699 /nfs/dbraw/zinc/15/16/99/613151699.db2.gz KPLIDNQGPHYPRF-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000923567397 613165751 /nfs/dbraw/zinc/16/57/51/613165751.db2.gz YVLLXIPASGOTKS-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000923567397 613165752 /nfs/dbraw/zinc/16/57/52/613165752.db2.gz YVLLXIPASGOTKS-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000884206256 613169794 /nfs/dbraw/zinc/16/97/94/613169794.db2.gz QDCMWDHMBUHVCD-UONOGXRCSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000884206256 613169796 /nfs/dbraw/zinc/16/97/96/613169796.db2.gz QDCMWDHMBUHVCD-UONOGXRCSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000884206256 613169797 /nfs/dbraw/zinc/16/97/97/613169797.db2.gz QDCMWDHMBUHVCD-UONOGXRCSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000884206256 613169799 /nfs/dbraw/zinc/16/97/99/613169799.db2.gz QDCMWDHMBUHVCD-UONOGXRCSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(CC)[C@@H]2CC[N@H+](C)C2)C1 ZINC000890364395 613183278 /nfs/dbraw/zinc/18/32/78/613183278.db2.gz ZFOYHDBWFMLGFQ-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000890364395 613183280 /nfs/dbraw/zinc/18/32/80/613183280.db2.gz ZFOYHDBWFMLGFQ-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC)[C@@H]2CC[NH+](C)C2)C1 ZINC000890364395 613183281 /nfs/dbraw/zinc/18/32/81/613183281.db2.gz ZFOYHDBWFMLGFQ-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC)[C@@H]2CC[NH+](C)C2)C1 ZINC000890364395 613183283 /nfs/dbraw/zinc/18/32/83/613183283.db2.gz ZFOYHDBWFMLGFQ-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C(CNN=C1CC[N@@H+]2CCC[C@H]12)C[NH+]1CCOCC1 ZINC000799489771 613224443 /nfs/dbraw/zinc/22/44/43/613224443.db2.gz BMZFJXMCDNXJMQ-CQSZACIVSA-N 2 1 266.389 0.522 20 30 CCEDMP C(CNN=C1CC[N@H+]2CCC[C@H]12)C[NH+]1CCOCC1 ZINC000799489771 613224447 /nfs/dbraw/zinc/22/44/47/613224447.db2.gz BMZFJXMCDNXJMQ-CQSZACIVSA-N 2 1 266.389 0.522 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000961776647 613313638 /nfs/dbraw/zinc/31/36/38/613313638.db2.gz FDSDJWBKGOVXCA-NHAGDIPZSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000961776647 613313640 /nfs/dbraw/zinc/31/36/40/613313640.db2.gz FDSDJWBKGOVXCA-NHAGDIPZSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000961776647 613313642 /nfs/dbraw/zinc/31/36/42/613313642.db2.gz FDSDJWBKGOVXCA-NHAGDIPZSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000961937613 613316673 /nfs/dbraw/zinc/31/66/73/613316673.db2.gz AJIUCKAUUVBCMT-QXSJWSMHSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000961937613 613316675 /nfs/dbraw/zinc/31/66/75/613316675.db2.gz AJIUCKAUUVBCMT-QXSJWSMHSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000961937613 613316676 /nfs/dbraw/zinc/31/66/76/613316676.db2.gz AJIUCKAUUVBCMT-QXSJWSMHSA-N 2 1 289.423 0.929 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889755059 613366129 /nfs/dbraw/zinc/36/61/29/613366129.db2.gz CXBFLAOAWSJNDG-ZIAGYGMSSA-N 2 1 281.400 0.162 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889755058 613366312 /nfs/dbraw/zinc/36/63/12/613366312.db2.gz CXBFLAOAWSJNDG-UONOGXRCSA-N 2 1 281.400 0.162 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827277926 613366340 /nfs/dbraw/zinc/36/63/40/613366340.db2.gz RHMVFGNBXCWOOD-OLZOCXBDSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000980448461 613615760 /nfs/dbraw/zinc/61/57/60/613615760.db2.gz MRQGJZIWGHQZDF-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000980448461 613615762 /nfs/dbraw/zinc/61/57/62/613615762.db2.gz MRQGJZIWGHQZDF-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000980448461 613615764 /nfs/dbraw/zinc/61/57/64/613615764.db2.gz MRQGJZIWGHQZDF-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000980448461 613615766 /nfs/dbraw/zinc/61/57/66/613615766.db2.gz MRQGJZIWGHQZDF-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000961776660 613837621 /nfs/dbraw/zinc/83/76/21/613837621.db2.gz XAFFLEGTWJQWKQ-CXTNEJHOSA-N 2 1 263.385 0.703 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC000961776660 613837622 /nfs/dbraw/zinc/83/76/22/613837622.db2.gz XAFFLEGTWJQWKQ-CXTNEJHOSA-N 2 1 263.385 0.703 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC000961776660 613837623 /nfs/dbraw/zinc/83/76/23/613837623.db2.gz XAFFLEGTWJQWKQ-CXTNEJHOSA-N 2 1 263.385 0.703 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000961787114 613837874 /nfs/dbraw/zinc/83/78/74/613837874.db2.gz JPFFXENQTMYWML-CXTNEJHOSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000961787114 613837875 /nfs/dbraw/zinc/83/78/75/613837875.db2.gz JPFFXENQTMYWML-CXTNEJHOSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000961787114 613837877 /nfs/dbraw/zinc/83/78/77/613837877.db2.gz JPFFXENQTMYWML-CXTNEJHOSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959921088 613840348 /nfs/dbraw/zinc/84/03/48/613840348.db2.gz LXRAWWAKWNTWMG-BYNSBNAKSA-N 2 1 275.396 0.561 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000969407316 613864689 /nfs/dbraw/zinc/86/46/89/613864689.db2.gz DJQLVQUGJHUGDU-IQXANGCESA-N 2 1 291.395 0.226 20 30 CCEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC#CC[NH+](C)C)C1 ZINC000913524886 614650635 /nfs/dbraw/zinc/65/06/35/614650635.db2.gz AMDORAZYBMNBPE-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000104172525 615144399 /nfs/dbraw/zinc/14/43/99/615144399.db2.gz CAQMJZTXVLOYBU-ZFWWWQNUSA-N 3 1 293.459 0.859 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000104172525 615144402 /nfs/dbraw/zinc/14/44/02/615144402.db2.gz CAQMJZTXVLOYBU-ZFWWWQNUSA-N 3 1 293.459 0.859 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000104172525 615144403 /nfs/dbraw/zinc/14/44/03/615144403.db2.gz CAQMJZTXVLOYBU-ZFWWWQNUSA-N 3 1 293.459 0.859 20 30 CCEDMP CCO[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)C[NH+](C)C ZINC000905578731 615410146 /nfs/dbraw/zinc/41/01/46/615410146.db2.gz GEKNJOUHENGZFH-STQMWFEESA-N 2 1 269.389 0.597 20 30 CCEDMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)NCC#N)cc1 ZINC000859213988 615954585 /nfs/dbraw/zinc/95/45/85/615954585.db2.gz DOHDADRMOAYYGW-UHFFFAOYSA-N 2 1 274.368 0.820 20 30 CCEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)NCC#N)cc1 ZINC000859213988 615954587 /nfs/dbraw/zinc/95/45/87/615954587.db2.gz DOHDADRMOAYYGW-UHFFFAOYSA-N 2 1 274.368 0.820 20 30 CCEDMP C[N@H+]1CCC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852863323 616204951 /nfs/dbraw/zinc/20/49/51/616204951.db2.gz MLQZKQTYIHTBPP-CQSZACIVSA-N 2 1 263.385 0.447 20 30 CCEDMP C[N@H+]1CCC[C@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@H]21 ZINC000852887463 616215358 /nfs/dbraw/zinc/21/53/58/616215358.db2.gz AMGBOQDYIMHKQW-JKSUJKDBSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001023274186 622974716 /nfs/dbraw/zinc/97/47/16/622974716.db2.gz UWVQQWKFLLGDBW-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)no1 ZINC000170911911 623813744 /nfs/dbraw/zinc/81/37/44/623813744.db2.gz BPHFXXLQGNZFDU-LLVKDONJSA-N 2 1 265.361 0.872 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020406231 624469679 /nfs/dbraw/zinc/46/96/79/624469679.db2.gz NWRDRVIVXIAGBE-JGNFHWBKSA-N 2 1 291.395 0.272 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000104174627 630767314 /nfs/dbraw/zinc/76/73/14/630767314.db2.gz TYRBIYXYHOZQTI-CYBMUJFWSA-N 2 1 267.421 0.350 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000262008511 631752986 /nfs/dbraw/zinc/75/29/86/631752986.db2.gz WDEOFFAPEUMQDD-OLZOCXBDSA-N 2 1 299.488 0.293 20 30 CCEDMP CCNC(NC[C@H]1CCC[N@H+]1CCOC)=[NH+]CC ZINC000303982783 632503290 /nfs/dbraw/zinc/50/32/90/632503290.db2.gz QQTTXQJYPLCXMJ-GFCCVEGCSA-N 2 1 256.394 0.672 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000985653297 632609914 /nfs/dbraw/zinc/60/99/14/632609914.db2.gz KZICBUNMVWEXPR-UKRRQHHQSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000985653297 632609923 /nfs/dbraw/zinc/60/99/23/632609923.db2.gz KZICBUNMVWEXPR-UKRRQHHQSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000985653297 632609935 /nfs/dbraw/zinc/60/99/35/632609935.db2.gz KZICBUNMVWEXPR-UKRRQHHQSA-N 2 1 277.412 0.740 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000987534996 632878146 /nfs/dbraw/zinc/87/81/46/632878146.db2.gz XAZUIHDJGXQPBE-YPMHNXCESA-N 2 1 262.357 0.957 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001008531233 650118545 /nfs/dbraw/zinc/11/85/45/650118545.db2.gz LHFQSTARTJTPCL-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001008531233 650118546 /nfs/dbraw/zinc/11/85/46/650118546.db2.gz LHFQSTARTJTPCL-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001008531233 650118547 /nfs/dbraw/zinc/11/85/47/650118547.db2.gz LHFQSTARTJTPCL-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001008531233 650118548 /nfs/dbraw/zinc/11/85/48/650118548.db2.gz LHFQSTARTJTPCL-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009211192 650139928 /nfs/dbraw/zinc/13/99/28/650139928.db2.gz AXHFPDYNCPOBCT-CQSZACIVSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001009203476 650140159 /nfs/dbraw/zinc/14/01/59/650140159.db2.gz RKHYSTITVUEAMW-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009510973 650146562 /nfs/dbraw/zinc/14/65/62/650146562.db2.gz UWYZICFOUZDZMA-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009510973 650146563 /nfs/dbraw/zinc/14/65/63/650146563.db2.gz UWYZICFOUZDZMA-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009510973 650146564 /nfs/dbraw/zinc/14/65/64/650146564.db2.gz UWYZICFOUZDZMA-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009510973 650146565 /nfs/dbraw/zinc/14/65/65/650146565.db2.gz UWYZICFOUZDZMA-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992497241 637455537 /nfs/dbraw/zinc/45/55/37/637455537.db2.gz ZIAWFJKENXBJHB-HOCLYGCPSA-N 2 1 275.396 0.829 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992497241 637455539 /nfs/dbraw/zinc/45/55/39/637455539.db2.gz ZIAWFJKENXBJHB-HOCLYGCPSA-N 2 1 275.396 0.829 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995920204 638804695 /nfs/dbraw/zinc/80/46/95/638804695.db2.gz TXQOZUAKIJBEBE-CQSZACIVSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997008931 638848455 /nfs/dbraw/zinc/84/84/55/638848455.db2.gz NFWCVHFKEYNQNB-JSGCOSHPSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000999207182 638967742 /nfs/dbraw/zinc/96/77/42/638967742.db2.gz KCSHYYIHAIHZAP-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999681316 638990297 /nfs/dbraw/zinc/99/02/97/638990297.db2.gz DGHPHYWNRXXTOB-IYXRBSQSSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001000843837 639182144 /nfs/dbraw/zinc/18/21/44/639182144.db2.gz INGDUFIXHYHXOQ-UKRRQHHQSA-N 2 1 293.411 0.640 20 30 CCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001000843837 639182146 /nfs/dbraw/zinc/18/21/46/639182146.db2.gz INGDUFIXHYHXOQ-UKRRQHHQSA-N 2 1 293.411 0.640 20 30 CCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001000843837 639182151 /nfs/dbraw/zinc/18/21/51/639182151.db2.gz INGDUFIXHYHXOQ-UKRRQHHQSA-N 2 1 293.411 0.640 20 30 CCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000843837 639182159 /nfs/dbraw/zinc/18/21/59/639182159.db2.gz INGDUFIXHYHXOQ-UKRRQHHQSA-N 2 1 293.411 0.640 20 30 CCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001001261903 639263583 /nfs/dbraw/zinc/26/35/83/639263583.db2.gz ALQCYBZEZIDDRR-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001001447795 639305042 /nfs/dbraw/zinc/30/50/42/639305042.db2.gz CUYZKUKLGPJZIV-OAHLLOKOSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001001447795 639305049 /nfs/dbraw/zinc/30/50/49/639305049.db2.gz CUYZKUKLGPJZIV-OAHLLOKOSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001001447795 639305054 /nfs/dbraw/zinc/30/50/54/639305054.db2.gz CUYZKUKLGPJZIV-OAHLLOKOSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001003015292 639495797 /nfs/dbraw/zinc/49/57/97/639495797.db2.gz CILDWRNOYUONDQ-CQSZACIVSA-N 2 1 286.379 0.974 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014918919 650502690 /nfs/dbraw/zinc/50/26/90/650502690.db2.gz CEOVKQOUDJBWEZ-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014918919 650502692 /nfs/dbraw/zinc/50/26/92/650502692.db2.gz CEOVKQOUDJBWEZ-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014918919 650502696 /nfs/dbraw/zinc/50/26/96/650502696.db2.gz CEOVKQOUDJBWEZ-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014918919 650502697 /nfs/dbraw/zinc/50/26/97/650502697.db2.gz CEOVKQOUDJBWEZ-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005412871 639908971 /nfs/dbraw/zinc/90/89/71/639908971.db2.gz MMLWAWCCAYNWII-UKRRQHHQSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015705854 650613763 /nfs/dbraw/zinc/61/37/63/650613763.db2.gz QITLSLHESKJMPT-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015705854 650613765 /nfs/dbraw/zinc/61/37/65/650613765.db2.gz QITLSLHESKJMPT-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001015705854 650613768 /nfs/dbraw/zinc/61/37/68/650613768.db2.gz QITLSLHESKJMPT-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015705854 650613770 /nfs/dbraw/zinc/61/37/70/650613770.db2.gz QITLSLHESKJMPT-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001015700834 650612362 /nfs/dbraw/zinc/61/23/62/650612362.db2.gz BQAGTQPSNWRXQY-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015700834 650612364 /nfs/dbraw/zinc/61/23/64/650612364.db2.gz BQAGTQPSNWRXQY-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015700834 650612365 /nfs/dbraw/zinc/61/23/65/650612365.db2.gz BQAGTQPSNWRXQY-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015899654 650652129 /nfs/dbraw/zinc/65/21/29/650652129.db2.gz PIZHURINMAELRP-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001016306211 650714620 /nfs/dbraw/zinc/71/46/20/650714620.db2.gz OKWWCPIFLSRUPW-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001016306211 650714622 /nfs/dbraw/zinc/71/46/22/650714622.db2.gz OKWWCPIFLSRUPW-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016306211 650714624 /nfs/dbraw/zinc/71/46/24/650714624.db2.gz OKWWCPIFLSRUPW-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016306211 650714627 /nfs/dbraw/zinc/71/46/27/650714627.db2.gz OKWWCPIFLSRUPW-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000834490375 642581196 /nfs/dbraw/zinc/58/11/96/642581196.db2.gz UTARMCWSUNVDDL-PMPSAXMXSA-N 2 1 298.390 0.879 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000848413006 643633915 /nfs/dbraw/zinc/63/39/15/643633915.db2.gz HUFYGYAHDQSFID-RDBSUJKOSA-N 2 1 294.399 0.377 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000848424727 643635533 /nfs/dbraw/zinc/63/55/33/643635533.db2.gz GPQUPXBMIVPKRE-VHSXEESVSA-N 2 1 274.315 0.463 20 30 CCEDMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852858707 644027733 /nfs/dbraw/zinc/02/77/33/644027733.db2.gz GMDDOSZGNGVHPL-CQSZACIVSA-N 2 1 277.412 0.980 20 30 CCEDMP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000852864046 644030305 /nfs/dbraw/zinc/03/03/05/644030305.db2.gz VVQUSPCQASMGKJ-CQSZACIVSA-N 2 1 293.411 0.074 20 30 CCEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852885011 644042085 /nfs/dbraw/zinc/04/20/85/644042085.db2.gz RLNGLYVGYKUJJU-HIFRSBDPSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001018938160 650922964 /nfs/dbraw/zinc/92/29/64/650922964.db2.gz BVIQVQJHGDGJKN-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436848 648989845 /nfs/dbraw/zinc/98/98/45/648989845.db2.gz NMUJJNQIMASJHT-HZSPNIEDSA-N 2 1 290.411 0.821 20 30 CCEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436848 648989850 /nfs/dbraw/zinc/98/98/50/648989850.db2.gz NMUJJNQIMASJHT-HZSPNIEDSA-N 2 1 290.411 0.821 20 30 CCEDMP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436848 648989852 /nfs/dbraw/zinc/98/98/52/648989852.db2.gz NMUJJNQIMASJHT-HZSPNIEDSA-N 2 1 290.411 0.821 20 30 CCEDMP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436848 648989856 /nfs/dbraw/zinc/98/98/56/648989856.db2.gz NMUJJNQIMASJHT-HZSPNIEDSA-N 2 1 290.411 0.821 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1CCC1 ZINC000303710762 649824155 /nfs/dbraw/zinc/82/41/55/649824155.db2.gz OXNVWKWRAIRVLR-UHFFFAOYSA-N 2 1 254.378 0.413 20 30 CCEDMP CC(C)CNC(=[NH2+])NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303793601 649825435 /nfs/dbraw/zinc/82/54/35/649825435.db2.gz ZQZZIJJIKTZDAM-ZDUSSCGKSA-N 2 1 270.421 0.904 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Cn1cccn1 ZINC000303898165 649826646 /nfs/dbraw/zinc/82/66/46/649826646.db2.gz VJVPAQHXCKKNBV-UONOGXRCSA-N 2 1 292.431 0.908 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCOC ZINC000303987300 649827961 /nfs/dbraw/zinc/82/79/61/649827961.db2.gz VHMHGXOYFMIPEV-CYBMUJFWSA-N 2 1 286.420 0.428 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC[C@@H](C)F ZINC001266284356 790402230 /nfs/dbraw/zinc/40/22/30/790402230.db2.gz BTPCYUUVIXDGBG-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC[C@@H](C)F ZINC001266284356 790402234 /nfs/dbraw/zinc/40/22/34/790402234.db2.gz BTPCYUUVIXDGBG-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC[C@@H](C)F ZINC001266284356 790402238 /nfs/dbraw/zinc/40/22/38/790402238.db2.gz BTPCYUUVIXDGBG-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC[C@@H](C)F ZINC001266284356 790402242 /nfs/dbraw/zinc/40/22/42/790402242.db2.gz BTPCYUUVIXDGBG-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266352851 790570868 /nfs/dbraw/zinc/57/08/68/790570868.db2.gz JFDVEVIGSPFVKB-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266352851 790570876 /nfs/dbraw/zinc/57/08/76/790570876.db2.gz JFDVEVIGSPFVKB-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266352851 790570884 /nfs/dbraw/zinc/57/08/84/790570884.db2.gz JFDVEVIGSPFVKB-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167236242 790728876 /nfs/dbraw/zinc/72/88/76/790728876.db2.gz INCZRVFQZLWXIF-KGLIPLIRSA-N 2 1 277.412 0.693 20 30 CCEDMP C=CCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001266453381 790743646 /nfs/dbraw/zinc/74/36/46/790743646.db2.gz DUNHQGVACLXLFQ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001266453381 790743652 /nfs/dbraw/zinc/74/36/52/790743652.db2.gz DUNHQGVACLXLFQ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001266453381 790743659 /nfs/dbraw/zinc/74/36/59/790743659.db2.gz DUNHQGVACLXLFQ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001266695108 791149678 /nfs/dbraw/zinc/14/96/78/791149678.db2.gz KQOAXVWEAWZBFT-QLFBSQMISA-N 2 1 295.427 0.910 20 30 CCEDMP C=C(C)C[NH+](C)CCOCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001277476109 805702675 /nfs/dbraw/zinc/70/26/75/805702675.db2.gz MVRRXBPMTUKIDS-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001266992441 791426719 /nfs/dbraw/zinc/42/67/19/791426719.db2.gz BLRBNSFKUXGYCK-CHWSQXEVSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CCC[N@H+](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001267230521 791709176 /nfs/dbraw/zinc/70/91/76/791709176.db2.gz QKQWSZVDCJFQKW-CQSZACIVSA-N 2 1 281.400 0.026 20 30 CCEDMP N#Cc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)nc1 ZINC001234991051 806337488 /nfs/dbraw/zinc/33/74/88/806337488.db2.gz VYWFSLUGPGLYEM-AWEZNQCLSA-N 2 1 257.341 0.091 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001120624912 798891828 /nfs/dbraw/zinc/89/18/28/798891828.db2.gz UWOMXYWAVBZVSZ-OLZOCXBDSA-N 2 1 266.389 0.368 20 30 CCEDMP C#CC[NH2+]CC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC001122115338 799146947 /nfs/dbraw/zinc/14/69/47/799146947.db2.gz WVSGTYFHOJMCON-GFCCVEGCSA-N 2 1 257.337 0.373 20 30 CCEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242073 800324425 /nfs/dbraw/zinc/32/44/25/800324425.db2.gz UPKREZLSGFFLJE-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717019 800362800 /nfs/dbraw/zinc/36/28/00/800362800.db2.gz VCVWOJQIDMRJRH-CQSZACIVSA-N 2 1 281.400 0.475 20 30 CCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409735 801162465 /nfs/dbraw/zinc/16/24/65/801162465.db2.gz WNPIZCBLVKCQOY-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013796 801287642 /nfs/dbraw/zinc/28/76/42/801287642.db2.gz LYCSWWJRBUNTLC-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013796 801287646 /nfs/dbraw/zinc/28/76/46/801287646.db2.gz LYCSWWJRBUNTLC-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001157013796 801287650 /nfs/dbraw/zinc/28/76/50/801287650.db2.gz LYCSWWJRBUNTLC-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001157013796 801287655 /nfs/dbraw/zinc/28/76/55/801287655.db2.gz LYCSWWJRBUNTLC-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158428656 801647797 /nfs/dbraw/zinc/64/77/97/801647797.db2.gz MXZBTDINFCFORW-ZIAGYGMSSA-N 2 1 281.400 0.072 20 30 CCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158506541 801660083 /nfs/dbraw/zinc/66/00/83/801660083.db2.gz LUBYVJNOOVBMOM-GJZGRUSLSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CC1 ZINC001160197723 801918974 /nfs/dbraw/zinc/91/89/74/801918974.db2.gz DROHCWVKXSIHEM-AWEZNQCLSA-N 2 1 263.385 0.590 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CC1 ZINC001160197723 801918978 /nfs/dbraw/zinc/91/89/78/801918978.db2.gz DROHCWVKXSIHEM-AWEZNQCLSA-N 2 1 263.385 0.590 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872468 802431967 /nfs/dbraw/zinc/43/19/67/802431967.db2.gz STZPXIHFRHMGCL-JVWICGRDSA-N 2 1 279.384 0.132 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001163822247 802618469 /nfs/dbraw/zinc/61/84/69/802618469.db2.gz WSBQDJWPRMZQFP-CYBMUJFWSA-N 2 1 263.385 0.590 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206281153 803223548 /nfs/dbraw/zinc/22/35/48/803223548.db2.gz CXKHHAOLCMYJSE-HIFRSBDPSA-N 2 1 277.412 0.646 20 30 CCEDMP C#CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206519709 803258291 /nfs/dbraw/zinc/25/82/91/803258291.db2.gz OVPCSXSDMBUCKY-ZFWWWQNUSA-N 2 1 260.337 0.450 20 30 CCEDMP C#CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206519709 803258296 /nfs/dbraw/zinc/25/82/96/803258296.db2.gz OVPCSXSDMBUCKY-ZFWWWQNUSA-N 2 1 260.337 0.450 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207547273 803418417 /nfs/dbraw/zinc/41/84/17/803418417.db2.gz QXHXWPXACIOXPT-MRVWCRGKSA-N 2 1 263.385 0.396 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563228 803419824 /nfs/dbraw/zinc/41/98/24/803419824.db2.gz KMDHDJAMINNCPM-TZMCWYRMSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563228 803419825 /nfs/dbraw/zinc/41/98/25/803419825.db2.gz KMDHDJAMINNCPM-TZMCWYRMSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563228 803419830 /nfs/dbraw/zinc/41/98/30/803419830.db2.gz KMDHDJAMINNCPM-TZMCWYRMSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC#CC)C1 ZINC001208355588 803508427 /nfs/dbraw/zinc/50/84/27/803508427.db2.gz DPLVEZYHMCZDGN-HOTGVXAUSA-N 2 1 287.407 0.688 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC#CC)C1 ZINC001208355588 803508431 /nfs/dbraw/zinc/50/84/31/803508431.db2.gz DPLVEZYHMCZDGN-HOTGVXAUSA-N 2 1 287.407 0.688 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210145156 803639765 /nfs/dbraw/zinc/63/97/65/803639765.db2.gz FTUWEDYLQOFDDS-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210810766 803660737 /nfs/dbraw/zinc/66/07/37/803660737.db2.gz CQSSNXXPMVGJES-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210811951 803660782 /nfs/dbraw/zinc/66/07/82/803660782.db2.gz RZGPARUJRFIYIW-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001276725807 803822021 /nfs/dbraw/zinc/82/20/21/803822021.db2.gz JJVXAGAJOAWVEC-YHUYYLMFSA-N 2 1 289.423 0.646 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001276725807 803822030 /nfs/dbraw/zinc/82/20/30/803822030.db2.gz JJVXAGAJOAWVEC-YHUYYLMFSA-N 2 1 289.423 0.646 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001276725807 803822038 /nfs/dbraw/zinc/82/20/38/803822038.db2.gz JJVXAGAJOAWVEC-YHUYYLMFSA-N 2 1 289.423 0.646 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557683 804004143 /nfs/dbraw/zinc/00/41/43/804004143.db2.gz HNCQYLRVBMMXHQ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218575207 804017416 /nfs/dbraw/zinc/01/74/16/804017416.db2.gz DAVGWFBXXDUDQG-QWHCGFSZSA-N 2 1 267.373 0.036 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218575207 804017425 /nfs/dbraw/zinc/01/74/25/804017425.db2.gz DAVGWFBXXDUDQG-QWHCGFSZSA-N 2 1 267.373 0.036 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830509 804429844 /nfs/dbraw/zinc/42/98/44/804429844.db2.gz YJXGLCPEFFLNLU-ZNMIVQPWSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830509 804429849 /nfs/dbraw/zinc/42/98/49/804429849.db2.gz YJXGLCPEFFLNLU-ZNMIVQPWSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830509 804429853 /nfs/dbraw/zinc/42/98/53/804429853.db2.gz YJXGLCPEFFLNLU-ZNMIVQPWSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220236622 804544331 /nfs/dbraw/zinc/54/43/31/804544331.db2.gz ARQZSSITEOUXIQ-ZNMIVQPWSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799307 804669963 /nfs/dbraw/zinc/66/99/63/804669963.db2.gz VYPSHSNFJKHBTJ-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806655 804671201 /nfs/dbraw/zinc/67/12/01/804671201.db2.gz IZIRXLIZWHTEKD-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806655 804671206 /nfs/dbraw/zinc/67/12/06/804671206.db2.gz IZIRXLIZWHTEKD-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220868429 804684098 /nfs/dbraw/zinc/68/40/98/804684098.db2.gz JFMKHSWRXOJQKS-KBPBESRZSA-N 3 1 280.416 0.080 20 30 CCEDMP C=CCN1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220868429 804684100 /nfs/dbraw/zinc/68/41/00/804684100.db2.gz JFMKHSWRXOJQKS-KBPBESRZSA-N 2 1 280.416 0.080 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC001220868332 804685333 /nfs/dbraw/zinc/68/53/33/804685333.db2.gz GNZKSHLHCCYOPX-UWVGGRQHSA-N 2 1 261.316 0.736 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943346 815080298 /nfs/dbraw/zinc/08/02/98/815080298.db2.gz MJMRACUGSKAVJU-LXTVHRRPSA-N 2 1 293.411 0.424 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943346 815080301 /nfs/dbraw/zinc/08/03/01/815080301.db2.gz MJMRACUGSKAVJU-LXTVHRRPSA-N 2 1 293.411 0.424 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943346 815080307 /nfs/dbraw/zinc/08/03/07/815080307.db2.gz MJMRACUGSKAVJU-LXTVHRRPSA-N 2 1 293.411 0.424 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943346 815080310 /nfs/dbraw/zinc/08/03/10/815080310.db2.gz MJMRACUGSKAVJU-LXTVHRRPSA-N 2 1 293.411 0.424 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246305382 807216882 /nfs/dbraw/zinc/21/68/82/807216882.db2.gz QRFPSJZRSCDKPU-RDBSUJKOSA-N 3 1 283.416 0.943 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246305380 807217472 /nfs/dbraw/zinc/21/74/72/807217472.db2.gz QRFPSJZRSCDKPU-MCIONIFRSA-N 3 1 283.416 0.943 20 30 CCEDMP C=CCN1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C1=O ZINC001246362205 807233174 /nfs/dbraw/zinc/23/31/74/807233174.db2.gz KQDCXYDOGRFTHC-AGIUHOORSA-N 2 1 251.374 0.894 20 30 CCEDMP N#C[C@@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CCN1 ZINC001246555400 807286452 /nfs/dbraw/zinc/28/64/52/807286452.db2.gz GKBAXBIMWTVJFJ-VWYCJHECSA-N 2 1 258.316 0.546 20 30 CCEDMP N#C[C@@H]1C[C@@H]([N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CCN1 ZINC001246555400 807286460 /nfs/dbraw/zinc/28/64/60/807286460.db2.gz GKBAXBIMWTVJFJ-VWYCJHECSA-N 2 1 258.316 0.546 20 30 CCEDMP N#C[C@@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CCN1 ZINC001246555386 807286704 /nfs/dbraw/zinc/28/67/04/807286704.db2.gz GKBAXBIMWTVJFJ-DCAQKATOSA-N 2 1 258.316 0.546 20 30 CCEDMP N#C[C@@H]1C[C@@H]([N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CCN1 ZINC001246555386 807286706 /nfs/dbraw/zinc/28/67/06/807286706.db2.gz GKBAXBIMWTVJFJ-DCAQKATOSA-N 2 1 258.316 0.546 20 30 CCEDMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001278528699 807565878 /nfs/dbraw/zinc/56/58/78/807565878.db2.gz IDUJCIVWOFJYAL-HIFRSBDPSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001278608694 807619918 /nfs/dbraw/zinc/61/99/18/807619918.db2.gz OYOABMIDCXOJDI-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001278608693 807620309 /nfs/dbraw/zinc/62/03/09/807620309.db2.gz OYOABMIDCXOJDI-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCC[C@@H](O)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001252603456 807918583 /nfs/dbraw/zinc/91/85/83/807918583.db2.gz WZUGKBZYQAUOCC-CQSZACIVSA-N 2 1 255.406 0.493 20 30 CCEDMP C=C[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001253586172 808091642 /nfs/dbraw/zinc/09/16/42/808091642.db2.gz HSCRQUYAHOLSKX-DZGCQCFKSA-N 2 1 296.411 0.883 20 30 CCEDMP C=C[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001253586172 808091650 /nfs/dbraw/zinc/09/16/50/808091650.db2.gz HSCRQUYAHOLSKX-DZGCQCFKSA-N 2 1 296.411 0.883 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001278833906 808308024 /nfs/dbraw/zinc/30/80/24/808308024.db2.gz YLNZIPIXPNTXSB-KGLIPLIRSA-N 2 1 283.416 0.313 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513693 815193744 /nfs/dbraw/zinc/19/37/44/815193744.db2.gz XJTZEFRIUYRKLU-HUUCEWRRSA-N 2 1 295.427 0.272 20 30 CCEDMP N#Cc1ncn(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC001261177555 808920397 /nfs/dbraw/zinc/92/03/97/808920397.db2.gz WRURSSNPTIVBGO-NEPJUHHUSA-N 2 1 260.345 0.366 20 30 CCEDMP C#CCN1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001076462084 815301082 /nfs/dbraw/zinc/30/10/82/815301082.db2.gz HNBIALOEXNQNMH-GXTWGEPZSA-N 2 1 272.352 0.129 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCOC ZINC001265786557 809852377 /nfs/dbraw/zinc/85/23/77/809852377.db2.gz PKXPWPTUXNMTMJ-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCOC ZINC001265786557 809852383 /nfs/dbraw/zinc/85/23/83/809852383.db2.gz PKXPWPTUXNMTMJ-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001265975864 809910947 /nfs/dbraw/zinc/91/09/47/809910947.db2.gz FUWBXGMHYGREDM-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CC[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001265975864 809910952 /nfs/dbraw/zinc/91/09/52/809910952.db2.gz FUWBXGMHYGREDM-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001265975864 809910955 /nfs/dbraw/zinc/91/09/55/809910955.db2.gz FUWBXGMHYGREDM-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001265975864 809910960 /nfs/dbraw/zinc/91/09/60/809910960.db2.gz FUWBXGMHYGREDM-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001266188658 809957586 /nfs/dbraw/zinc/95/75/86/809957586.db2.gz CYHLYGXTISMJQL-LBPRGKRZSA-N 2 1 262.357 0.699 20 30 CCEDMP C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001279847350 809998489 /nfs/dbraw/zinc/99/84/89/809998489.db2.gz NXWTXSIKRLONNM-HNNXBMFYSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083275045 811432292 /nfs/dbraw/zinc/43/22/92/811432292.db2.gz MNHBLCAWQMGTIP-QLFBSQMISA-N 2 1 293.411 0.426 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275045 811432295 /nfs/dbraw/zinc/43/22/95/811432295.db2.gz MNHBLCAWQMGTIP-QLFBSQMISA-N 2 1 293.411 0.426 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275045 811432305 /nfs/dbraw/zinc/43/23/05/811432305.db2.gz MNHBLCAWQMGTIP-QLFBSQMISA-N 2 1 293.411 0.426 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267766622 811763511 /nfs/dbraw/zinc/76/35/11/811763511.db2.gz JTJBWXUKQFMRRX-KGLIPLIRSA-N 2 1 265.401 0.739 20 30 CCEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001267849430 811833498 /nfs/dbraw/zinc/83/34/98/811833498.db2.gz PFYZLEHFAGGJNR-GOEBONIOSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC(=C)C ZINC001038369933 811839002 /nfs/dbraw/zinc/83/90/02/811839002.db2.gz YAWDNNSPWOFYBY-GJZGRUSLSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001267941886 811880427 /nfs/dbraw/zinc/88/04/27/811880427.db2.gz FABAKQWIRYQZML-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001267941886 811880434 /nfs/dbraw/zinc/88/04/34/811880434.db2.gz FABAKQWIRYQZML-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001279273790 812316112 /nfs/dbraw/zinc/31/61/12/812316112.db2.gz KELBCNWNDRQSFT-YMAMQOFZSA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268246273 812411824 /nfs/dbraw/zinc/41/18/24/812411824.db2.gz XMXPPMWBONLBSS-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268246273 812411827 /nfs/dbraw/zinc/41/18/27/812411827.db2.gz XMXPPMWBONLBSS-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028320334 812612217 /nfs/dbraw/zinc/61/22/17/812612217.db2.gz QEUZSEIRUSANCY-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028320334 812612220 /nfs/dbraw/zinc/61/22/20/812612220.db2.gz QEUZSEIRUSANCY-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028320334 812612223 /nfs/dbraw/zinc/61/22/23/812612223.db2.gz QEUZSEIRUSANCY-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001028580381 812863613 /nfs/dbraw/zinc/86/36/13/812863613.db2.gz VNSJFIRZAYUFAS-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001028580381 812863621 /nfs/dbraw/zinc/86/36/21/812863621.db2.gz VNSJFIRZAYUFAS-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001028580381 812863625 /nfs/dbraw/zinc/86/36/25/812863625.db2.gz VNSJFIRZAYUFAS-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001268879516 813130131 /nfs/dbraw/zinc/13/01/31/813130131.db2.gz RZXISONFMPGWFG-CYBMUJFWSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001268917126 813146187 /nfs/dbraw/zinc/14/61/87/813146187.db2.gz LDBAFAWBKCGXQP-UHFFFAOYSA-N 2 1 277.412 0.934 20 30 CCEDMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#CCOC ZINC001269409205 813361276 /nfs/dbraw/zinc/36/12/76/813361276.db2.gz XANOFPQTRJRKKF-RBSFLKMASA-N 2 1 295.427 0.461 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028985354 813724881 /nfs/dbraw/zinc/72/48/81/813724881.db2.gz KKQJPELMQZQSCW-UONOGXRCSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028985354 813724885 /nfs/dbraw/zinc/72/48/85/813724885.db2.gz KKQJPELMQZQSCW-UONOGXRCSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028985354 813724887 /nfs/dbraw/zinc/72/48/87/813724887.db2.gz KKQJPELMQZQSCW-UONOGXRCSA-N 2 1 263.385 0.400 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001028996330 813735797 /nfs/dbraw/zinc/73/57/97/813735797.db2.gz DWQIJTPHOJOLQE-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028996330 813735804 /nfs/dbraw/zinc/73/58/04/813735804.db2.gz DWQIJTPHOJOLQE-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028996330 813735811 /nfs/dbraw/zinc/73/58/11/813735811.db2.gz DWQIJTPHOJOLQE-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028996330 813735815 /nfs/dbraw/zinc/73/58/15/813735815.db2.gz DWQIJTPHOJOLQE-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001087529587 814071505 /nfs/dbraw/zinc/07/15/05/814071505.db2.gz MJJNNXXJYLZLTN-ZNMIVQPWSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001087529587 814071508 /nfs/dbraw/zinc/07/15/08/814071508.db2.gz MJJNNXXJYLZLTN-ZNMIVQPWSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1CC ZINC001087529587 814071517 /nfs/dbraw/zinc/07/15/17/814071517.db2.gz MJJNNXXJYLZLTN-ZNMIVQPWSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1CC ZINC001087529587 814071524 /nfs/dbraw/zinc/07/15/24/814071524.db2.gz MJJNNXXJYLZLTN-ZNMIVQPWSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001271285811 814365223 /nfs/dbraw/zinc/36/52/23/814365223.db2.gz KGAYYJSKZWBVBH-ZIAGYGMSSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088095351 814405612 /nfs/dbraw/zinc/40/56/12/814405612.db2.gz JKBCIGMDTWFQLE-OWCLPIDISA-N 2 1 291.439 0.986 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001029597483 814469693 /nfs/dbraw/zinc/46/96/93/814469693.db2.gz UMNATBWJNXLLTA-CALCHBBNSA-N 2 1 299.418 0.640 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001029597483 814469700 /nfs/dbraw/zinc/46/97/00/814469700.db2.gz UMNATBWJNXLLTA-CALCHBBNSA-N 2 1 299.418 0.640 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001075887334 814876639 /nfs/dbraw/zinc/87/66/39/814876639.db2.gz HRWQJPJELBWTFS-DZGCQCFKSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001075887334 814876646 /nfs/dbraw/zinc/87/66/46/814876646.db2.gz HRWQJPJELBWTFS-DZGCQCFKSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001075887334 814876650 /nfs/dbraw/zinc/87/66/50/814876650.db2.gz HRWQJPJELBWTFS-DZGCQCFKSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001272461157 816448038 /nfs/dbraw/zinc/44/80/38/816448038.db2.gz LZNZPADTSSLYSJ-CABCVRRESA-N 2 1 295.427 0.197 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001031732058 817297487 /nfs/dbraw/zinc/29/74/87/817297487.db2.gz RQDXCNTWBGYRES-CQSZACIVSA-N 2 1 286.379 0.832 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C(C)C)C1 ZINC001031742884 817306934 /nfs/dbraw/zinc/30/69/34/817306934.db2.gz UWBQBJCVLYFOQV-AWEZNQCLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C(C)C)C1 ZINC001031742884 817306945 /nfs/dbraw/zinc/30/69/45/817306945.db2.gz UWBQBJCVLYFOQV-AWEZNQCLSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976132 817514985 /nfs/dbraw/zinc/51/49/85/817514985.db2.gz FVVCPYRIYVNYGC-TZMCWYRMSA-N 2 1 265.401 0.808 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976131 817515159 /nfs/dbraw/zinc/51/51/59/817515159.db2.gz FVVCPYRIYVNYGC-OCCSQVGLSA-N 2 1 265.401 0.808 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106983268 817569832 /nfs/dbraw/zinc/56/98/32/817569832.db2.gz XXUAVSSNSQOCRD-HZSPNIEDSA-N 2 1 263.385 0.255 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033229685 818665596 /nfs/dbraw/zinc/66/55/96/818665596.db2.gz VJWQOZBVGVEITE-CQSZACIVSA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033229685 818665599 /nfs/dbraw/zinc/66/55/99/818665599.db2.gz VJWQOZBVGVEITE-CQSZACIVSA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033939426 819014094 /nfs/dbraw/zinc/01/40/94/819014094.db2.gz ALWSVXJSBSHYIA-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034489382 819220596 /nfs/dbraw/zinc/22/05/96/819220596.db2.gz BXUCKVJALLFIDJ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C[NH2+]CCOCC[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000706629872 819659629 /nfs/dbraw/zinc/65/96/29/819659629.db2.gz CAVXDFDYKALMID-HNNXBMFYSA-N 2 1 277.368 0.759 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001080670813 820617407 /nfs/dbraw/zinc/61/74/07/820617407.db2.gz CLJZSPCDQPRQLD-VXGBXAGGSA-N 2 1 260.341 0.412 20 30 CCEDMP CC#CCN1C[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001080670813 820617410 /nfs/dbraw/zinc/61/74/10/820617410.db2.gz CLJZSPCDQPRQLD-VXGBXAGGSA-N 2 1 260.341 0.412 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001081893843 820865225 /nfs/dbraw/zinc/86/52/25/820865225.db2.gz DZTIQGBWNUEAFU-ZIAGYGMSSA-N 2 1 293.411 0.616 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001081893843 820865234 /nfs/dbraw/zinc/86/52/34/820865234.db2.gz DZTIQGBWNUEAFU-ZIAGYGMSSA-N 2 1 293.411 0.616 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082135053 820906250 /nfs/dbraw/zinc/90/62/50/820906250.db2.gz NBZQBILVXCAIFS-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328376 820936458 /nfs/dbraw/zinc/93/64/58/820936458.db2.gz QTFXVQGSLSHNDX-ZIAGYGMSSA-N 2 1 293.411 0.474 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001084091635 821198521 /nfs/dbraw/zinc/19/85/21/821198521.db2.gz GZZLWNXNKWBPJV-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091635 821198526 /nfs/dbraw/zinc/19/85/26/821198526.db2.gz GZZLWNXNKWBPJV-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091635 821198531 /nfs/dbraw/zinc/19/85/31/821198531.db2.gz GZZLWNXNKWBPJV-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084407089 821288118 /nfs/dbraw/zinc/28/81/18/821288118.db2.gz HNLTUVHIBZNBBM-OAGGEKHMSA-N 2 1 289.423 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084407089 821288122 /nfs/dbraw/zinc/28/81/22/821288122.db2.gz HNLTUVHIBZNBBM-OAGGEKHMSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406535 821289059 /nfs/dbraw/zinc/28/90/59/821289059.db2.gz RLUVWCBQDOFWGU-OAGGEKHMSA-N 2 1 289.423 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084831305 821404257 /nfs/dbraw/zinc/40/42/57/821404257.db2.gz GBCRFFVBJGGEPL-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084831305 821404261 /nfs/dbraw/zinc/40/42/61/821404261.db2.gz GBCRFFVBJGGEPL-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084831305 821404263 /nfs/dbraw/zinc/40/42/63/821404263.db2.gz GBCRFFVBJGGEPL-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001273311117 821605711 /nfs/dbraw/zinc/60/57/11/821605711.db2.gz CYUMMPUJVNOHPH-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001273311117 821605717 /nfs/dbraw/zinc/60/57/17/821605717.db2.gz CYUMMPUJVNOHPH-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085674445 821889560 /nfs/dbraw/zinc/88/95/60/821889560.db2.gz WHBIWGVHESQZMX-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086090821 822109745 /nfs/dbraw/zinc/10/97/45/822109745.db2.gz SLTLZUUUWLXBPE-YIYPIFLZSA-N 2 1 263.385 0.444 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086091929 822110862 /nfs/dbraw/zinc/11/08/62/822110862.db2.gz SNUFQVULSGAKHN-XGUBFFRZSA-N 2 1 293.411 0.520 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100082689 822253910 /nfs/dbraw/zinc/25/39/10/822253910.db2.gz GYSGSTJMCOKPMQ-GJZGRUSLSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082689 822253919 /nfs/dbraw/zinc/25/39/19/822253919.db2.gz GYSGSTJMCOKPMQ-GJZGRUSLSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCC1 ZINC001129771054 837557995 /nfs/dbraw/zinc/55/79/95/837557995.db2.gz PDUMGGDXWQTETB-AWEZNQCLSA-N 2 1 263.385 0.590 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCC1 ZINC001129771054 837558004 /nfs/dbraw/zinc/55/80/04/837558004.db2.gz PDUMGGDXWQTETB-AWEZNQCLSA-N 2 1 263.385 0.590 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130189082 837719890 /nfs/dbraw/zinc/71/98/90/837719890.db2.gz NCWUQHIPQXPLNG-KBPBESRZSA-N 2 1 263.385 0.732 20 30 CCEDMP C=C[C@@H](CO)Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001169779747 836442974 /nfs/dbraw/zinc/44/29/74/836442974.db2.gz WWMZANBOIMHWDH-NSHDSACASA-N 2 1 263.345 0.363 20 30 CCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169982704 836632110 /nfs/dbraw/zinc/63/21/10/836632110.db2.gz NQNNRJGDXFGEIH-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169982704 836632115 /nfs/dbraw/zinc/63/21/15/836632115.db2.gz NQNNRJGDXFGEIH-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277056 838351860 /nfs/dbraw/zinc/35/18/60/838351860.db2.gz ANNFHPRSJIELML-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608115 839025781 /nfs/dbraw/zinc/02/57/81/839025781.db2.gz QXIPEZNFXGRITM-CHWSQXEVSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134804292 839079272 /nfs/dbraw/zinc/07/92/72/839079272.db2.gz FTCFYSWUKBZPQH-NEPJUHHUSA-N 2 1 292.383 0.856 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135096025 839160031 /nfs/dbraw/zinc/16/00/31/839160031.db2.gz ZAVKAYTXHDGZLG-LSDHHAIUSA-N 2 1 293.411 0.359 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090537687 839625527 /nfs/dbraw/zinc/62/55/27/839625527.db2.gz MYUJVRNROFCOJJ-HUUCEWRRSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCOC1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246571838 840072175 /nfs/dbraw/zinc/07/21/75/840072175.db2.gz XFGSNSXAQCAWFX-NWINJMCUSA-N 2 1 254.374 0.894 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737100 840868412 /nfs/dbraw/zinc/86/84/12/840868412.db2.gz BTBYBFXBXHWRHB-VYDXJSESSA-N 2 1 289.423 0.740 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899992 840958331 /nfs/dbraw/zinc/95/83/31/840958331.db2.gz ZOEYTBQCBJZBOP-ZIAGYGMSSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CN(C)CCO2)[C@H](C)C1 ZINC001092521721 841032972 /nfs/dbraw/zinc/03/29/72/841032972.db2.gz CDHFHGIBEXNDEE-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521721 841032976 /nfs/dbraw/zinc/03/29/76/841032976.db2.gz CDHFHGIBEXNDEE-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521721 841032985 /nfs/dbraw/zinc/03/29/85/841032985.db2.gz CDHFHGIBEXNDEE-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092521721 841032991 /nfs/dbraw/zinc/03/29/91/841032991.db2.gz CDHFHGIBEXNDEE-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092521721 841032998 /nfs/dbraw/zinc/03/29/98/841032998.db2.gz CDHFHGIBEXNDEE-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110160431 841695278 /nfs/dbraw/zinc/69/52/78/841695278.db2.gz OTQCGDTYVGHUHL-RDBSUJKOSA-N 2 1 263.385 0.681 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110160431 841695280 /nfs/dbraw/zinc/69/52/80/841695280.db2.gz OTQCGDTYVGHUHL-RDBSUJKOSA-N 2 1 263.385 0.681 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110160431 841695282 /nfs/dbraw/zinc/69/52/82/841695282.db2.gz OTQCGDTYVGHUHL-RDBSUJKOSA-N 2 1 263.385 0.681 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110160431 841695284 /nfs/dbraw/zinc/69/52/84/841695284.db2.gz OTQCGDTYVGHUHL-RDBSUJKOSA-N 2 1 263.385 0.681 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676395 843884640 /nfs/dbraw/zinc/88/46/40/843884640.db2.gz LFNRQOVZZMLLIN-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)COC)C1 ZINC001183361121 844006169 /nfs/dbraw/zinc/00/61/69/844006169.db2.gz GWDMLWFVSRMTSO-KFWWJZLASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)COC)C1 ZINC001183361121 844006177 /nfs/dbraw/zinc/00/61/77/844006177.db2.gz GWDMLWFVSRMTSO-KFWWJZLASA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187851752 844781711 /nfs/dbraw/zinc/78/17/11/844781711.db2.gz RTOUBAOVBOCNQY-CYBMUJFWSA-N 2 1 260.341 0.405 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820014 845217838 /nfs/dbraw/zinc/21/78/38/845217838.db2.gz KHMUMBPZWWDIOG-LSDHHAIUSA-N 2 1 295.427 0.673 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238768 845372167 /nfs/dbraw/zinc/37/21/67/845372167.db2.gz PTUNYCYUIBQVDH-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238768 845372176 /nfs/dbraw/zinc/37/21/76/845372176.db2.gz PTUNYCYUIBQVDH-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238768 845372181 /nfs/dbraw/zinc/37/21/81/845372181.db2.gz PTUNYCYUIBQVDH-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192144188 845797943 /nfs/dbraw/zinc/79/79/43/845797943.db2.gz RYMJKYCWLVXKHX-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193460373 846081153 /nfs/dbraw/zinc/08/11/53/846081153.db2.gz BHIXZFPVBUMEMJ-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193460373 846081155 /nfs/dbraw/zinc/08/11/55/846081155.db2.gz BHIXZFPVBUMEMJ-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193460373 846081157 /nfs/dbraw/zinc/08/11/57/846081157.db2.gz BHIXZFPVBUMEMJ-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955476 847009707 /nfs/dbraw/zinc/00/97/07/847009707.db2.gz NGFHUCMJYYYHST-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199096663 847222011 /nfs/dbraw/zinc/22/20/11/847222011.db2.gz QTKLFVAZYFTPSS-CHWSQXEVSA-N 2 1 269.389 0.064 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199096663 847222024 /nfs/dbraw/zinc/22/20/24/847222024.db2.gz QTKLFVAZYFTPSS-CHWSQXEVSA-N 2 1 269.389 0.064 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199096663 847222035 /nfs/dbraw/zinc/22/20/35/847222035.db2.gz QTKLFVAZYFTPSS-CHWSQXEVSA-N 2 1 269.389 0.064 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199096663 847222049 /nfs/dbraw/zinc/22/20/49/847222049.db2.gz QTKLFVAZYFTPSS-CHWSQXEVSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199128711 847226830 /nfs/dbraw/zinc/22/68/30/847226830.db2.gz SMANOGWKEXPCQG-KFWWJZLASA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199128711 847226841 /nfs/dbraw/zinc/22/68/41/847226841.db2.gz SMANOGWKEXPCQG-KFWWJZLASA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114464927 848074572 /nfs/dbraw/zinc/07/45/72/848074572.db2.gz ZMUPJQURLVMTRY-BARDWOONSA-N 2 1 295.427 0.576 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC001137249379 848386675 /nfs/dbraw/zinc/38/66/75/848386675.db2.gz FPZLMZUWGFPJIF-CYBMUJFWSA-N 2 1 297.399 0.200 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001274762618 848562058 /nfs/dbraw/zinc/56/20/58/848562058.db2.gz ABUXMGKVIQOKGK-QWHCGFSZSA-N 2 1 251.374 0.588 20 30 CCEDMP C=CCC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001274985835 848608664 /nfs/dbraw/zinc/60/86/64/848608664.db2.gz HLHIUSZCPLYGET-OLZOCXBDSA-N 2 1 253.390 0.999 20 30 CCEDMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC#CCOC ZINC001275976942 848879841 /nfs/dbraw/zinc/87/98/41/848879841.db2.gz KIUKRJRUEWZQPA-AWEZNQCLSA-N 2 1 283.416 0.415 20 30 CCEDMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)CC#CCOC ZINC001275976942 848879845 /nfs/dbraw/zinc/87/98/45/848879845.db2.gz KIUKRJRUEWZQPA-AWEZNQCLSA-N 2 1 283.416 0.415 20 30 CCEDMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC#CCOC ZINC001275976942 848879851 /nfs/dbraw/zinc/87/98/51/848879851.db2.gz KIUKRJRUEWZQPA-AWEZNQCLSA-N 2 1 283.416 0.415 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114798349 849396208 /nfs/dbraw/zinc/39/62/08/849396208.db2.gz BXPCJIZDJQPDPX-ZOBORPQBSA-N 2 1 265.401 0.805 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038663182 849973608 /nfs/dbraw/zinc/97/36/08/849973608.db2.gz MPDJWNFRVGBCIT-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038925741 850087052 /nfs/dbraw/zinc/08/70/52/850087052.db2.gz KUDRMYHVLJJNEQ-ZDUSSCGKSA-N 2 1 261.369 0.296 20 30 CCEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041831672 850510585 /nfs/dbraw/zinc/51/05/85/850510585.db2.gz PDWVZCPMPKETKL-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041831672 850510593 /nfs/dbraw/zinc/51/05/93/850510593.db2.gz PDWVZCPMPKETKL-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041831672 850510597 /nfs/dbraw/zinc/51/05/97/850510597.db2.gz PDWVZCPMPKETKL-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001042749465 850752183 /nfs/dbraw/zinc/75/21/83/850752183.db2.gz DTWQONIXUQVFIS-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001042749465 850752191 /nfs/dbraw/zinc/75/21/91/850752191.db2.gz DTWQONIXUQVFIS-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047458641 851771512 /nfs/dbraw/zinc/77/15/12/851771512.db2.gz XURRTPUMMDECDI-KBPBESRZSA-N 2 1 292.383 0.271 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047458641 851771515 /nfs/dbraw/zinc/77/15/15/851771515.db2.gz XURRTPUMMDECDI-KBPBESRZSA-N 2 1 292.383 0.271 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047626912 851839494 /nfs/dbraw/zinc/83/94/94/851839494.db2.gz IMEIZCRYPDKEBL-KBPBESRZSA-N 2 1 281.400 0.162 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058489 852149848 /nfs/dbraw/zinc/14/98/48/852149848.db2.gz DXVCQTQQFACKQZ-SOUVJXGZSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058489 852149851 /nfs/dbraw/zinc/14/98/51/852149851.db2.gz DXVCQTQQFACKQZ-SOUVJXGZSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058489 852149858 /nfs/dbraw/zinc/14/98/58/852149858.db2.gz DXVCQTQQFACKQZ-SOUVJXGZSA-N 2 1 277.412 0.904 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052934114 852672730 /nfs/dbraw/zinc/67/27/30/852672730.db2.gz IBWNAGVJSLYUKM-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052934114 852672732 /nfs/dbraw/zinc/67/27/32/852672732.db2.gz IBWNAGVJSLYUKM-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052934114 852672736 /nfs/dbraw/zinc/67/27/36/852672736.db2.gz IBWNAGVJSLYUKM-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001054240114 852897885 /nfs/dbraw/zinc/89/78/85/852897885.db2.gz MRNMONSFOHEUDH-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054240114 852897890 /nfs/dbraw/zinc/89/78/90/852897890.db2.gz MRNMONSFOHEUDH-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054240114 852897892 /nfs/dbraw/zinc/89/78/92/852897892.db2.gz MRNMONSFOHEUDH-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 ZINC001050153267 853325042 /nfs/dbraw/zinc/32/50/42/853325042.db2.gz MCPGATCIDLGDKT-GXTWGEPZSA-N 2 1 272.352 0.508 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050201132 853335133 /nfs/dbraw/zinc/33/51/33/853335133.db2.gz ANLPBLAOEZXVPO-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050201132 853335137 /nfs/dbraw/zinc/33/51/37/853335137.db2.gz ANLPBLAOEZXVPO-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050201132 853335144 /nfs/dbraw/zinc/33/51/44/853335144.db2.gz ANLPBLAOEZXVPO-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001050664016 853409530 /nfs/dbraw/zinc/40/95/30/853409530.db2.gz JUKULNUDMVPOLK-LSDHHAIUSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001052460388 853753956 /nfs/dbraw/zinc/75/39/56/853753956.db2.gz XEPRAMCLTCGHNY-GJZGRUSLSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001052460388 853753959 /nfs/dbraw/zinc/75/39/59/853753959.db2.gz XEPRAMCLTCGHNY-GJZGRUSLSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCO)CC1 ZINC001052460388 853753961 /nfs/dbraw/zinc/75/39/61/853753961.db2.gz XEPRAMCLTCGHNY-GJZGRUSLSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCO)CC1 ZINC001052460388 853753966 /nfs/dbraw/zinc/75/39/66/853753966.db2.gz XEPRAMCLTCGHNY-GJZGRUSLSA-N 2 1 293.411 0.047 20 30 CCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072580419 854421491 /nfs/dbraw/zinc/42/14/91/854421491.db2.gz ACVOIHBZDFRNOS-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072580419 854421496 /nfs/dbraw/zinc/42/14/96/854421496.db2.gz ACVOIHBZDFRNOS-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580419 854421499 /nfs/dbraw/zinc/42/14/99/854421499.db2.gz ACVOIHBZDFRNOS-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072580419 854421505 /nfs/dbraw/zinc/42/15/05/854421505.db2.gz ACVOIHBZDFRNOS-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001073125633 854533061 /nfs/dbraw/zinc/53/30/61/854533061.db2.gz CRLOBBAHUFNMJM-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073125633 854533069 /nfs/dbraw/zinc/53/30/69/854533069.db2.gz CRLOBBAHUFNMJM-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073125633 854533078 /nfs/dbraw/zinc/53/30/78/854533078.db2.gz CRLOBBAHUFNMJM-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073553873 854591703 /nfs/dbraw/zinc/59/17/03/854591703.db2.gz AXBLZVBKOXZOAE-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073553873 854591708 /nfs/dbraw/zinc/59/17/08/854591708.db2.gz AXBLZVBKOXZOAE-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073553873 854591709 /nfs/dbraw/zinc/59/17/09/854591709.db2.gz AXBLZVBKOXZOAE-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001074561550 854747596 /nfs/dbraw/zinc/74/75/96/854747596.db2.gz DKRWQTDRVFVCLB-AVGNSLFASA-N 2 1 251.374 0.846 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100047833 855085325 /nfs/dbraw/zinc/08/53/25/855085325.db2.gz BMXJCWMLCKQHDU-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131998 855103843 /nfs/dbraw/zinc/10/38/43/855103843.db2.gz LWDUKDYPDPIWKJ-STQMWFEESA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131998 855103844 /nfs/dbraw/zinc/10/38/44/855103844.db2.gz LWDUKDYPDPIWKJ-STQMWFEESA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131998 855103846 /nfs/dbraw/zinc/10/38/46/855103846.db2.gz LWDUKDYPDPIWKJ-STQMWFEESA-N 2 1 269.389 0.064 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC#CC)C1 ZINC001100415364 855163353 /nfs/dbraw/zinc/16/33/53/855163353.db2.gz MLDJNIJQZAGGCU-GPANFISMSA-N 2 1 287.407 0.592 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC#CC)C1 ZINC001100415364 855163357 /nfs/dbraw/zinc/16/33/57/855163357.db2.gz MLDJNIJQZAGGCU-GPANFISMSA-N 2 1 287.407 0.592 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001100447236 855171174 /nfs/dbraw/zinc/17/11/74/855171174.db2.gz UGWRXEZQKRICNL-YMAMQOFZSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111862700 855600575 /nfs/dbraw/zinc/60/05/75/855600575.db2.gz ZIHJYSQXPHFRQB-HOCLYGCPSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114974899 855631315 /nfs/dbraw/zinc/63/13/15/855631315.db2.gz JGROYTYLIRIXMH-FOLVSLTJSA-N 2 1 286.379 0.651 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114974899 855631317 /nfs/dbraw/zinc/63/13/17/855631317.db2.gz JGROYTYLIRIXMH-FOLVSLTJSA-N 2 1 286.379 0.651 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001323245492 912214340 /nfs/dbraw/zinc/21/43/40/912214340.db2.gz GAWMNOIUFMEHBZ-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001323245492 912214353 /nfs/dbraw/zinc/21/43/53/912214353.db2.gz GAWMNOIUFMEHBZ-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001323245492 912214371 /nfs/dbraw/zinc/21/43/71/912214371.db2.gz GAWMNOIUFMEHBZ-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001323245492 912214386 /nfs/dbraw/zinc/21/43/86/912214386.db2.gz GAWMNOIUFMEHBZ-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001323543498 912403699 /nfs/dbraw/zinc/40/36/99/912403699.db2.gz ZAJKTIKZUKTYFC-UHFFFAOYSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001325307371 913330598 /nfs/dbraw/zinc/33/05/98/913330598.db2.gz DEPQURAVEKVUCC-KBPBESRZSA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481016194 892059750 /nfs/dbraw/zinc/05/97/50/892059750.db2.gz FLNDFAQDJXVPQP-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(C)C[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481016194 892059769 /nfs/dbraw/zinc/05/97/69/892059769.db2.gz FLNDFAQDJXVPQP-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001481016194 892059732 /nfs/dbraw/zinc/05/97/32/892059732.db2.gz FLNDFAQDJXVPQP-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001481707217 893052437 /nfs/dbraw/zinc/05/24/37/893052437.db2.gz RJAKQXRGJFRHHT-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001481707217 893052457 /nfs/dbraw/zinc/05/24/57/893052457.db2.gz RJAKQXRGJFRHHT-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C#CC[NH2+]C[C@](C)(NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001481944324 893284392 /nfs/dbraw/zinc/28/43/92/893284392.db2.gz JGFJKEMYALAHAB-INIZCTEOSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001326224164 913831130 /nfs/dbraw/zinc/83/11/30/913831130.db2.gz VQVYTLMZNBDCSW-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001326224164 913831147 /nfs/dbraw/zinc/83/11/47/913831147.db2.gz VQVYTLMZNBDCSW-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC1 ZINC001482841398 894645736 /nfs/dbraw/zinc/64/57/36/894645736.db2.gz GSDGHZGOQPBWDQ-HIFRSBDPSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC1 ZINC001482841398 894645743 /nfs/dbraw/zinc/64/57/43/894645743.db2.gz GSDGHZGOQPBWDQ-HIFRSBDPSA-N 2 1 277.412 0.978 20 30 CCEDMP COCC#CC[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001483510634 895619579 /nfs/dbraw/zinc/61/95/79/895619579.db2.gz RGPMNPNYFIBNJM-UHFFFAOYSA-N 2 1 292.383 0.279 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483700545 895881273 /nfs/dbraw/zinc/88/12/73/895881273.db2.gz CNDUDLQRCHCUQY-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001483700545 895881290 /nfs/dbraw/zinc/88/12/90/895881290.db2.gz CNDUDLQRCHCUQY-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001483700545 895881300 /nfs/dbraw/zinc/88/13/00/895881300.db2.gz CNDUDLQRCHCUQY-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484550189 896468051 /nfs/dbraw/zinc/46/80/51/896468051.db2.gz QYDFYPPTNLSETQ-KBPBESRZSA-N 2 1 263.385 0.400 20 30 CCEDMP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485464373 897056136 /nfs/dbraw/zinc/05/61/36/897056136.db2.gz VDVKNPGRBTUCNO-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485464373 897056145 /nfs/dbraw/zinc/05/61/45/897056145.db2.gz VDVKNPGRBTUCNO-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001326747698 914133971 /nfs/dbraw/zinc/13/39/71/914133971.db2.gz DUHOPJPHOAYIRN-OAHLLOKOSA-N 2 1 293.411 0.313 20 30 CCEDMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001485705973 897188153 /nfs/dbraw/zinc/18/81/53/897188153.db2.gz RCUQMZIDBCDGNH-HDJSIYSDSA-N 2 1 274.368 0.699 20 30 CCEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485827790 897475011 /nfs/dbraw/zinc/47/50/11/897475011.db2.gz REXPPMJGNQZCLV-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001032442915 897575695 /nfs/dbraw/zinc/57/56/95/897575695.db2.gz IXVHUFZDNPIYMC-PMPSAXMXSA-N 2 1 289.423 0.883 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032731824 898027262 /nfs/dbraw/zinc/02/72/62/898027262.db2.gz QUYNPIXYGQHBDV-KKUMJFAQSA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032731824 898027275 /nfs/dbraw/zinc/02/72/75/898027275.db2.gz QUYNPIXYGQHBDV-KKUMJFAQSA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001032731824 898027288 /nfs/dbraw/zinc/02/72/88/898027288.db2.gz QUYNPIXYGQHBDV-KKUMJFAQSA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032731824 898027303 /nfs/dbraw/zinc/02/73/03/898027303.db2.gz QUYNPIXYGQHBDV-KKUMJFAQSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485943724 898531366 /nfs/dbraw/zinc/53/13/66/898531366.db2.gz CSUSNYRIVXLLGQ-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001486126887 898687016 /nfs/dbraw/zinc/68/70/16/898687016.db2.gz DWWJZXDIMSBAOT-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001486293678 898762901 /nfs/dbraw/zinc/76/29/01/898762901.db2.gz APHCHKMZRZPIHE-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001486519080 898920972 /nfs/dbraw/zinc/92/09/72/898920972.db2.gz GXBHYEXKEFFDHT-OAHLLOKOSA-N 2 1 277.412 0.954 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCO1 ZINC001327033956 914325299 /nfs/dbraw/zinc/32/52/99/914325299.db2.gz GVZCLULOCBDTST-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390685 900012143 /nfs/dbraw/zinc/01/21/43/900012143.db2.gz SYRVHAOTZNVGBQ-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189390685 900012153 /nfs/dbraw/zinc/01/21/53/900012153.db2.gz SYRVHAOTZNVGBQ-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189390685 900012164 /nfs/dbraw/zinc/01/21/64/900012164.db2.gz SYRVHAOTZNVGBQ-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765783 900041078 /nfs/dbraw/zinc/04/10/78/900041078.db2.gz HJPPEIIBTXCHHN-ZIAGYGMSSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001488903486 900406794 /nfs/dbraw/zinc/40/67/94/900406794.db2.gz LCANQRDTKRMXQM-ZNMIVQPWSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001488903486 900406799 /nfs/dbraw/zinc/40/67/99/900406799.db2.gz LCANQRDTKRMXQM-ZNMIVQPWSA-N 2 1 295.427 0.768 20 30 CCEDMP CC#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001490742553 900716323 /nfs/dbraw/zinc/71/63/23/900716323.db2.gz QAVRFNGEAOZAAA-AWEZNQCLSA-N 2 1 265.401 0.834 20 30 CCEDMP C=C(C)CC[N@H+](C)CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001492866342 914479062 /nfs/dbraw/zinc/47/90/62/914479062.db2.gz GXBJGFPBVBMYSJ-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)CC[NH+](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001492866342 914479087 /nfs/dbraw/zinc/47/90/87/914479087.db2.gz GXBJGFPBVBMYSJ-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)CC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001492866342 914479110 /nfs/dbraw/zinc/47/91/10/914479110.db2.gz GXBJGFPBVBMYSJ-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)CC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001492866342 914479126 /nfs/dbraw/zinc/47/91/26/914479126.db2.gz GXBJGFPBVBMYSJ-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)CC[N@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001492866342 914479143 /nfs/dbraw/zinc/47/91/43/914479143.db2.gz GXBJGFPBVBMYSJ-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001491132964 903395245 /nfs/dbraw/zinc/39/52/45/903395245.db2.gz IAYZNXKZOLMMTA-CQSZACIVSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001491132964 903395264 /nfs/dbraw/zinc/39/52/64/903395264.db2.gz IAYZNXKZOLMMTA-CQSZACIVSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001491132964 903395279 /nfs/dbraw/zinc/39/52/79/903395279.db2.gz IAYZNXKZOLMMTA-CQSZACIVSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001316604777 904120570 /nfs/dbraw/zinc/12/05/70/904120570.db2.gz USHYVNWRKYRCHW-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001316604777 904120574 /nfs/dbraw/zinc/12/05/74/904120574.db2.gz USHYVNWRKYRCHW-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001281459078 904287446 /nfs/dbraw/zinc/28/74/46/904287446.db2.gz SQSSBNMTFLPUDX-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001332634664 904542339 /nfs/dbraw/zinc/54/23/39/904542339.db2.gz SBVFHEUXKPIXBU-GJZGRUSLSA-N 2 1 297.443 0.796 20 30 CCEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001332634664 904542346 /nfs/dbraw/zinc/54/23/46/904542346.db2.gz SBVFHEUXKPIXBU-GJZGRUSLSA-N 2 1 297.443 0.796 20 30 CCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001332634664 904542355 /nfs/dbraw/zinc/54/23/55/904542355.db2.gz SBVFHEUXKPIXBU-GJZGRUSLSA-N 2 1 297.443 0.796 20 30 CCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001282993413 904659576 /nfs/dbraw/zinc/65/95/76/904659576.db2.gz XSQWLWLRWAFYRD-IYBDPMFKSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001283554520 904907111 /nfs/dbraw/zinc/90/71/11/904907111.db2.gz RJOALZGYDOOIOS-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001327924001 914867082 /nfs/dbraw/zinc/86/70/82/914867082.db2.gz NFUYGOBLFBHJJV-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001284479725 905316233 /nfs/dbraw/zinc/31/62/33/905316233.db2.gz ZMHUYRAFPUNFMU-LSDHHAIUSA-N 2 1 295.427 0.293 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001491686471 907503786 /nfs/dbraw/zinc/50/37/86/907503786.db2.gz VWEDXEZEQCUYMG-VXGBXAGGSA-N 2 1 289.807 0.554 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001491686471 907503799 /nfs/dbraw/zinc/50/37/99/907503799.db2.gz VWEDXEZEQCUYMG-VXGBXAGGSA-N 2 1 289.807 0.554 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001491812112 907615757 /nfs/dbraw/zinc/61/57/57/907615757.db2.gz ISSHXXGNIJGGIS-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001382235999 907631555 /nfs/dbraw/zinc/63/15/55/907631555.db2.gz OMONEZOCADEZTC-LLVKDONJSA-N 2 1 289.807 0.147 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001491958373 907652646 /nfs/dbraw/zinc/65/26/46/907652646.db2.gz CJVCXNXUZKKFFW-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001491958373 907652653 /nfs/dbraw/zinc/65/26/53/907652653.db2.gz CJVCXNXUZKKFFW-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001491958373 907652659 /nfs/dbraw/zinc/65/26/59/907652659.db2.gz CJVCXNXUZKKFFW-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001382392798 907709706 /nfs/dbraw/zinc/70/97/06/907709706.db2.gz VTLSXVNQWXJPCT-VXGBXAGGSA-N 2 1 289.807 0.242 20 30 CCEDMP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001492126359 907711548 /nfs/dbraw/zinc/71/15/48/907711548.db2.gz BZTJWZKVJCGFCE-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001492126359 907711564 /nfs/dbraw/zinc/71/15/64/907711564.db2.gz BZTJWZKVJCGFCE-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317527387 908595241 /nfs/dbraw/zinc/59/52/41/908595241.db2.gz CUNXZATYDVYHKR-STQMWFEESA-N 2 1 253.390 0.951 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001317536031 908632572 /nfs/dbraw/zinc/63/25/72/908632572.db2.gz MBGLWAXJBDYZJQ-AWEZNQCLSA-N 2 1 274.368 0.653 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001317536031 908632579 /nfs/dbraw/zinc/63/25/79/908632579.db2.gz MBGLWAXJBDYZJQ-AWEZNQCLSA-N 2 1 274.368 0.653 20 30 CCEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001316749426 908677690 /nfs/dbraw/zinc/67/76/90/908677690.db2.gz UBMYWUOJSITOCO-GJZGRUSLSA-N 2 1 295.427 0.409 20 30 CCEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001316749426 908677698 /nfs/dbraw/zinc/67/76/98/908677698.db2.gz UBMYWUOJSITOCO-GJZGRUSLSA-N 2 1 295.427 0.409 20 30 CCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001316749426 908677710 /nfs/dbraw/zinc/67/77/10/908677710.db2.gz UBMYWUOJSITOCO-GJZGRUSLSA-N 2 1 295.427 0.409 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001316790284 908771983 /nfs/dbraw/zinc/77/19/83/908771983.db2.gz AMCVKTKLCMZWGH-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316987559 908898536 /nfs/dbraw/zinc/89/85/36/908898536.db2.gz TZEHBTVNRMHMIK-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC#CC)C1 ZINC001317300794 909129060 /nfs/dbraw/zinc/12/90/60/909129060.db2.gz DNHJWRDXOUXXGR-GJZGRUSLSA-N 2 1 273.380 0.298 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC#CC)C1 ZINC001317300794 909129075 /nfs/dbraw/zinc/12/90/75/909129075.db2.gz DNHJWRDXOUXXGR-GJZGRUSLSA-N 2 1 273.380 0.298 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001317483758 909254646 /nfs/dbraw/zinc/25/46/46/909254646.db2.gz KDQIDAKWGASPNR-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001317557260 909331195 /nfs/dbraw/zinc/33/11/95/909331195.db2.gz YXKJBZZHCHIMQP-CQSZACIVSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001318127795 909635813 /nfs/dbraw/zinc/63/58/13/909635813.db2.gz BSSGQKIIHPGQEN-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001318127795 909635830 /nfs/dbraw/zinc/63/58/30/909635830.db2.gz BSSGQKIIHPGQEN-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)C1 ZINC001318300320 909697310 /nfs/dbraw/zinc/69/73/10/909697310.db2.gz YYFMMOIXQZOBES-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)C1 ZINC001318300320 909697316 /nfs/dbraw/zinc/69/73/16/909697316.db2.gz YYFMMOIXQZOBES-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001318300320 909697322 /nfs/dbraw/zinc/69/73/22/909697322.db2.gz YYFMMOIXQZOBES-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001318300320 909697325 /nfs/dbraw/zinc/69/73/25/909697325.db2.gz YYFMMOIXQZOBES-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001319268733 910062530 /nfs/dbraw/zinc/06/25/30/910062530.db2.gz FBZUQUYINBSOMI-LSDHHAIUSA-N 2 1 295.427 0.320 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001319561121 910202825 /nfs/dbraw/zinc/20/28/25/910202825.db2.gz TUROKVLEADJBSI-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001320109619 910466306 /nfs/dbraw/zinc/46/63/06/910466306.db2.gz DHFMDBPHFUZGOK-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001321010709 911011306 /nfs/dbraw/zinc/01/13/06/911011306.db2.gz AYEPUAFJRQLFRB-URWSZGRFSA-N 2 1 267.373 0.155 20 30 CCEDMP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001321010709 911011317 /nfs/dbraw/zinc/01/13/17/911011317.db2.gz AYEPUAFJRQLFRB-URWSZGRFSA-N 2 1 267.373 0.155 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCF ZINC001321098454 911086628 /nfs/dbraw/zinc/08/66/28/911086628.db2.gz WJDJLRIBCWOPEW-OOPCZODUSA-N 2 1 267.348 0.316 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCF ZINC001321098454 911086650 /nfs/dbraw/zinc/08/66/50/911086650.db2.gz WJDJLRIBCWOPEW-OOPCZODUSA-N 2 1 267.348 0.316 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001321652550 911422680 /nfs/dbraw/zinc/42/26/80/911422680.db2.gz MNWFMQIEOXFBEN-TZMCWYRMSA-N 2 1 288.395 0.872 20 30 CCEDMP C#CCNC(=O)CC[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001327978234 914903676 /nfs/dbraw/zinc/90/36/76/914903676.db2.gz MEIPLXQQPZKCJQ-STQMWFEESA-N 2 1 251.374 0.588 20 30 CCEDMP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001329051788 915627894 /nfs/dbraw/zinc/62/78/94/915627894.db2.gz CQXGAWWFMTUGNZ-QWHCGFSZSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001330330592 916558216 /nfs/dbraw/zinc/55/82/16/916558216.db2.gz WUPQPDGUWMSSHJ-ZSOGYDGISA-N 2 1 263.385 0.255 20 30 CCEDMP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001330445105 916635156 /nfs/dbraw/zinc/63/51/56/916635156.db2.gz JMVUXQJQKBHLOU-UONOGXRCSA-N 2 1 281.400 0.165 20 30 CCEDMP C#CC[N@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001332736134 918410729 /nfs/dbraw/zinc/41/07/29/918410729.db2.gz WJXYWWKKXXFBGT-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+]CC(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC001340111588 921963583 /nfs/dbraw/zinc/96/35/83/921963583.db2.gz FKVIBILBRJPFSJ-CYBMUJFWSA-N 2 1 287.363 0.565 20 30 CCEDMP C#CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001340882576 922256964 /nfs/dbraw/zinc/25/69/64/922256964.db2.gz XTKFRZZCIPELFC-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH2+]CC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC001341556302 922549939 /nfs/dbraw/zinc/54/99/39/922549939.db2.gz YXPMEGIOCZBTCJ-UHFFFAOYSA-N 2 1 285.391 0.774 20 30 CCEDMP C#CC[NH2+]CC(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001358343062 926676458 /nfs/dbraw/zinc/67/64/58/926676458.db2.gz UUCVPJYIWAMFJA-CYBMUJFWSA-N 2 1 271.364 0.764 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1CCC[C@@H]1O)[C@@H]1CCC[C@H]1O ZINC000352666960 529823094 /nfs/dbraw/zinc/82/30/94/529823094.db2.gz IQSPPCXKVPKATN-FPCVCCKLSA-N 2 1 280.412 0.680 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1CCC[C@H]1O)[C@@H]1CCC[C@@H]1O ZINC000352666960 529823095 /nfs/dbraw/zinc/82/30/95/529823095.db2.gz IQSPPCXKVPKATN-FPCVCCKLSA-N 2 1 280.412 0.680 20 30 CCEDMP C[NH+](CC#CC[N@@H+](C)[C@@H]1CCC[C@H]1O)[C@@H]1CCC[C@@H]1O ZINC000352666960 529823097 /nfs/dbraw/zinc/82/30/97/529823097.db2.gz IQSPPCXKVPKATN-FPCVCCKLSA-N 2 1 280.412 0.680 20 30 CCEDMP N#CCC1(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000602799068 362806752 /nfs/dbraw/zinc/80/67/52/362806752.db2.gz QXPOEBDJPWZPQA-UHFFFAOYSA-N 2 1 293.411 0.839 20 30 CCEDMP CC#CCN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000121859005 350059548 /nfs/dbraw/zinc/05/95/48/350059548.db2.gz QASBZJBMBSXFSK-UHFFFAOYSA-N 2 1 259.357 0.688 20 30 CCEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000164461457 350778611 /nfs/dbraw/zinc/77/86/11/350778611.db2.gz VVYRWPJMXWXJPK-QLFBSQMISA-N 2 1 287.363 0.449 20 30 CCEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000164461457 350778615 /nfs/dbraw/zinc/77/86/15/350778615.db2.gz VVYRWPJMXWXJPK-QLFBSQMISA-N 2 1 287.363 0.449 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295589964 353905652 /nfs/dbraw/zinc/90/56/52/353905652.db2.gz XFIBIAAGBGAYRN-UHFFFAOYSA-N 2 1 297.362 0.952 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295589964 353905654 /nfs/dbraw/zinc/90/56/54/353905654.db2.gz XFIBIAAGBGAYRN-UHFFFAOYSA-N 2 1 297.362 0.952 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404293376 357820311 /nfs/dbraw/zinc/82/03/11/357820311.db2.gz WBSZVYBNHKOZKH-NWDGAFQWSA-N 2 1 282.388 0.448 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404293376 357820314 /nfs/dbraw/zinc/82/03/14/357820314.db2.gz WBSZVYBNHKOZKH-NWDGAFQWSA-N 2 1 282.388 0.448 20 30 CCEDMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436623 360306062 /nfs/dbraw/zinc/30/60/62/360306062.db2.gz FAPSBCWWSCSQGO-LBPRGKRZSA-N 2 1 254.378 0.854 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594437436 360306273 /nfs/dbraw/zinc/30/62/73/360306273.db2.gz JSXGEXWYGIZPGO-KGLIPLIRSA-N 2 1 278.400 0.998 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598719691 361496265 /nfs/dbraw/zinc/49/62/65/361496265.db2.gz JPASSQZAUGPJKA-CYBMUJFWSA-N 2 1 296.415 0.041 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000246736189 389231848 /nfs/dbraw/zinc/23/18/48/389231848.db2.gz MMDUXUNGJASHCZ-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C[NH+]=C(NCc1ccco1)NC[C@H]1CC[N@@H+](C)C1 ZINC000264068505 389304636 /nfs/dbraw/zinc/30/46/36/389304636.db2.gz RIHDTSWMQODPMB-LLVKDONJSA-N 2 1 250.346 0.896 20 30 CCEDMP CNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000264075533 389304863 /nfs/dbraw/zinc/30/48/63/389304863.db2.gz FNDZVIDZTDKNGY-HNNXBMFYSA-N 2 1 289.427 0.899 20 30 CCEDMP CNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000264075533 389304866 /nfs/dbraw/zinc/30/48/66/389304866.db2.gz FNDZVIDZTDKNGY-HNNXBMFYSA-N 2 1 289.427 0.899 20 30 CCEDMP C[C@H]1C[C@@H](O)CC[NH+]1CC#CC[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429166138 389742372 /nfs/dbraw/zinc/74/23/72/389742372.db2.gz UHCRXOQXBSMPPO-VGWMRTNUSA-N 2 1 280.412 0.680 20 30 CCEDMP N#C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000442796269 389863107 /nfs/dbraw/zinc/86/31/07/389863107.db2.gz VTCAPWJNZUUELF-HZSPNIEDSA-N 2 1 278.400 0.856 20 30 CCEDMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)ccc1C#N ZINC000440625752 390041507 /nfs/dbraw/zinc/04/15/07/390041507.db2.gz OWLGUZWHIXGMCY-HNNXBMFYSA-N 2 1 275.352 0.723 20 30 CCEDMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)ccc1C#N ZINC000440625752 390041508 /nfs/dbraw/zinc/04/15/08/390041508.db2.gz OWLGUZWHIXGMCY-HNNXBMFYSA-N 2 1 275.352 0.723 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345700 389987414 /nfs/dbraw/zinc/98/74/14/389987414.db2.gz WKTWWGILBLOONT-STQMWFEESA-N 2 1 294.399 0.320 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@H+]2CCS[C@@H](CC)C2)CC1 ZINC000490780284 390107916 /nfs/dbraw/zinc/10/79/16/390107916.db2.gz JDVHAYFQQZDIEM-AWEZNQCLSA-N 2 1 295.452 0.591 20 30 CCEDMP C#CCN1CCN(C(=O)CN2CCS[C@@H](CC)C2)CC1 ZINC000490780284 390107917 /nfs/dbraw/zinc/10/79/17/390107917.db2.gz JDVHAYFQQZDIEM-AWEZNQCLSA-N 2 1 295.452 0.591 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C)CC1 ZINC000491325946 390111894 /nfs/dbraw/zinc/11/18/94/390111894.db2.gz IJCQOSBNDPZIHO-UHFFFAOYSA-N 2 1 266.389 0.335 20 30 CCEDMP C[C@H](CNC[C@@H](O)CN(C)CCC#N)[N@H+](C)C1CC1 ZINC000567378319 390696342 /nfs/dbraw/zinc/69/63/42/390696342.db2.gz YCUDTVUGWAGABH-TZMCWYRMSA-N 2 1 268.405 0.265 20 30 CCEDMP C[C@H](CNC[C@@H](O)CN(C)CCC#N)[N@@H+](C)C1CC1 ZINC000567378319 390696344 /nfs/dbraw/zinc/69/63/44/390696344.db2.gz YCUDTVUGWAGABH-TZMCWYRMSA-N 2 1 268.405 0.265 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361104 412037866 /nfs/dbraw/zinc/03/78/66/412037866.db2.gz YKGIBQLMGCBCCF-MJBXVCDLSA-N 2 1 281.400 0.649 20 30 CCEDMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@H+]1C ZINC000329809029 545026775 /nfs/dbraw/zinc/02/67/75/545026775.db2.gz PSZVEGCRXXVESM-MCIONIFRSA-N 2 1 297.447 0.219 20 30 CCEDMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC[NH+]1C ZINC000329809029 545026777 /nfs/dbraw/zinc/02/67/77/545026777.db2.gz PSZVEGCRXXVESM-MCIONIFRSA-N 2 1 297.447 0.219 20 30 CCEDMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC[NH+]1C ZINC000329809029 545026780 /nfs/dbraw/zinc/02/67/80/545026780.db2.gz PSZVEGCRXXVESM-MCIONIFRSA-N 2 1 297.447 0.219 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192821253 262211598 /nfs/dbraw/zinc/21/15/98/262211598.db2.gz OCIOMUXQIYUECK-KGLIPLIRSA-N 2 1 278.400 0.822 20 30 CCEDMP CO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OC)C2)C1 ZINC000341878167 263362349 /nfs/dbraw/zinc/36/23/49/263362349.db2.gz SZDXMZKKCAIJBJ-OKILXGFUSA-N 2 1 252.358 0.431 20 30 CCEDMP CO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OC)C2)C1 ZINC000341878167 263362351 /nfs/dbraw/zinc/36/23/51/263362351.db2.gz SZDXMZKKCAIJBJ-OKILXGFUSA-N 2 1 252.358 0.431 20 30 CCEDMP CO[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](OC)C2)C1 ZINC000341878167 263362353 /nfs/dbraw/zinc/36/23/53/263362353.db2.gz SZDXMZKKCAIJBJ-OKILXGFUSA-N 2 1 252.358 0.431 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000125841048 264070823 /nfs/dbraw/zinc/07/08/23/264070823.db2.gz AUDATBYTYOANDJ-STQMWFEESA-N 2 1 251.374 0.753 20 30 CCEDMP CC#CCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000360967751 328913334 /nfs/dbraw/zinc/91/33/34/328913334.db2.gz CRQKJJLTPIRBDK-UHFFFAOYSA-N 2 1 273.384 0.731 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262469250 330015355 /nfs/dbraw/zinc/01/53/55/330015355.db2.gz OKCGBZGLYVTSJU-KBPBESRZSA-N 2 1 298.431 0.379 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CCn2ccnc2C1 ZINC000262471196 330015574 /nfs/dbraw/zinc/01/55/74/330015574.db2.gz OGSRZZJPPRMMTA-QWHCGFSZSA-N 2 1 290.415 0.587 20 30 CCEDMP C[NH+]=C(NCc1c[nH]nc1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262773539 330030610 /nfs/dbraw/zinc/03/06/10/330030610.db2.gz KKBUZMFVJHDJOV-LBPRGKRZSA-N 2 1 276.388 0.620 20 30 CCEDMP C[NH+]=C(NCc1c[nH]nc1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262773539 330030611 /nfs/dbraw/zinc/03/06/11/330030611.db2.gz KKBUZMFVJHDJOV-LBPRGKRZSA-N 2 1 276.388 0.620 20 30 CCEDMP CC(C)OCC[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424149270 330295740 /nfs/dbraw/zinc/29/57/40/330295740.db2.gz WELBWURYNYCMLH-CQSZACIVSA-N 2 1 296.415 0.577 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000491166887 332160356 /nfs/dbraw/zinc/16/03/56/332160356.db2.gz VCCKCWVLKGZDGC-HNNXBMFYSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000491166887 332160357 /nfs/dbraw/zinc/16/03/57/332160357.db2.gz VCCKCWVLKGZDGC-HNNXBMFYSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000491166887 332160359 /nfs/dbraw/zinc/16/03/59/332160359.db2.gz VCCKCWVLKGZDGC-HNNXBMFYSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000491486476 332220975 /nfs/dbraw/zinc/22/09/75/332220975.db2.gz WMODNRGQMHQYAP-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000491486477 332221035 /nfs/dbraw/zinc/22/10/35/332221035.db2.gz WMODNRGQMHQYAP-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000491505747 332225068 /nfs/dbraw/zinc/22/50/68/332225068.db2.gz MTXBJMBSCMCYBK-GFCCVEGCSA-N 2 1 252.362 0.074 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000491515572 332227207 /nfs/dbraw/zinc/22/72/07/332227207.db2.gz OHICQZNJQMOLSF-YIONKMFJSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000491626664 332250394 /nfs/dbraw/zinc/25/03/94/332250394.db2.gz LPUMMGAMACZOGC-CYBMUJFWSA-N 2 1 268.405 0.581 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000491767654 332335264 /nfs/dbraw/zinc/33/52/64/332335264.db2.gz JAHGCEPIYUAGJC-LBPRGKRZSA-N 2 1 252.362 0.234 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](CC)CCO)CC1 ZINC000187260170 333169085 /nfs/dbraw/zinc/16/90/85/333169085.db2.gz GGZZNYZKOSKWNE-UHFFFAOYSA-N 2 1 298.431 0.250 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@](C)(F)C2)CC1 ZINC000334893686 526429419 /nfs/dbraw/zinc/42/94/19/526429419.db2.gz VQKIISHHASQZIB-HNNXBMFYSA-N 2 1 298.406 0.980 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754464607 581593271 /nfs/dbraw/zinc/59/32/71/581593271.db2.gz RGBPRBDGGZVXHY-KGLIPLIRSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464607 581593273 /nfs/dbraw/zinc/59/32/73/581593273.db2.gz RGBPRBDGGZVXHY-KGLIPLIRSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000730278529 581689814 /nfs/dbraw/zinc/68/98/14/581689814.db2.gz SWZSRMVBDCPOJF-KFWWJZLASA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000730278529 581689816 /nfs/dbraw/zinc/68/98/16/581689816.db2.gz SWZSRMVBDCPOJF-KFWWJZLASA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000730278529 581689817 /nfs/dbraw/zinc/68/98/17/581689817.db2.gz SWZSRMVBDCPOJF-KFWWJZLASA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000730278529 581689819 /nfs/dbraw/zinc/68/98/19/581689819.db2.gz SWZSRMVBDCPOJF-KFWWJZLASA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000730282428 581690836 /nfs/dbraw/zinc/69/08/36/581690836.db2.gz KQXFGHGDROKCQL-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000730282428 581690838 /nfs/dbraw/zinc/69/08/38/581690838.db2.gz KQXFGHGDROKCQL-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000764287488 582041259 /nfs/dbraw/zinc/04/12/59/582041259.db2.gz GXMJPUJVICFSGI-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000764287487 582041342 /nfs/dbraw/zinc/04/13/42/582041342.db2.gz GXMJPUJVICFSGI-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861635032 613076887 /nfs/dbraw/zinc/07/68/87/613076887.db2.gz XNTNRZBOPTWXON-ZDUSSCGKSA-N 2 1 278.400 0.525 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000908436632 613077694 /nfs/dbraw/zinc/07/76/94/613077694.db2.gz TWNJTMFXSAFHBD-ZDUSSCGKSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000908436632 613077695 /nfs/dbraw/zinc/07/76/95/613077695.db2.gz TWNJTMFXSAFHBD-ZDUSSCGKSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000908436632 613077696 /nfs/dbraw/zinc/07/76/96/613077696.db2.gz TWNJTMFXSAFHBD-ZDUSSCGKSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000886616326 613079405 /nfs/dbraw/zinc/07/94/05/613079405.db2.gz ZVMIYZWMMZBJGF-STQMWFEESA-N 2 1 252.358 0.873 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000886616326 613079407 /nfs/dbraw/zinc/07/94/07/613079407.db2.gz ZVMIYZWMMZBJGF-STQMWFEESA-N 2 1 252.358 0.873 20 30 CCEDMP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000981229584 612973386 /nfs/dbraw/zinc/97/33/86/612973386.db2.gz YVTZUTPPVFWIAD-KBPBESRZSA-N 2 1 274.368 0.842 20 30 CCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000969969915 612994111 /nfs/dbraw/zinc/99/41/11/612994111.db2.gz QFBITMBTUDGNES-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000820198333 612999065 /nfs/dbraw/zinc/99/90/65/612999065.db2.gz YFFOOMGMNPJDNG-UKRRQHHQSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000820198333 612999067 /nfs/dbraw/zinc/99/90/67/612999067.db2.gz YFFOOMGMNPJDNG-UKRRQHHQSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000981957901 613002394 /nfs/dbraw/zinc/00/23/94/613002394.db2.gz ZLFMNMJYUITLLN-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000981957901 613002396 /nfs/dbraw/zinc/00/23/96/613002396.db2.gz ZLFMNMJYUITLLN-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000981957901 613002398 /nfs/dbraw/zinc/00/23/98/613002398.db2.gz ZLFMNMJYUITLLN-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000978344815 613041592 /nfs/dbraw/zinc/04/15/92/613041592.db2.gz GFTTWCFYXHKGMG-LVQVYYBASA-N 2 1 289.423 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978344815 613041594 /nfs/dbraw/zinc/04/15/94/613041594.db2.gz GFTTWCFYXHKGMG-LVQVYYBASA-N 2 1 289.423 0.788 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978344815 613041596 /nfs/dbraw/zinc/04/15/96/613041596.db2.gz GFTTWCFYXHKGMG-LVQVYYBASA-N 2 1 289.423 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC#C)CC1 ZINC000962759604 613042844 /nfs/dbraw/zinc/04/28/44/613042844.db2.gz CDJNCRICRGLPLM-FVQHAEBGSA-N 2 1 299.418 0.401 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1CC ZINC000883668164 613075793 /nfs/dbraw/zinc/07/57/93/613075793.db2.gz PCHTWCJPYQZGTM-CYBMUJFWSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891921765 613076490 /nfs/dbraw/zinc/07/64/90/613076490.db2.gz VEFOGZIBYVHYES-HDJSIYSDSA-N 2 1 280.416 0.758 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891920662 613076628 /nfs/dbraw/zinc/07/66/28/613076628.db2.gz CGMHKQZNYDBYAP-HIFRSBDPSA-N 2 1 278.400 0.525 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000820847090 613079138 /nfs/dbraw/zinc/07/91/38/613079138.db2.gz QXNIBLTUBBHBLV-UHFFFAOYSA-N 2 1 263.341 0.846 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000820847090 613079140 /nfs/dbraw/zinc/07/91/40/613079140.db2.gz QXNIBLTUBBHBLV-UHFFFAOYSA-N 2 1 263.341 0.846 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969660011 613116550 /nfs/dbraw/zinc/11/65/50/613116550.db2.gz MFTLDRJSDSAGNF-HIFRSBDPSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969660011 613116551 /nfs/dbraw/zinc/11/65/51/613116551.db2.gz MFTLDRJSDSAGNF-HIFRSBDPSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000928648860 613133452 /nfs/dbraw/zinc/13/34/52/613133452.db2.gz SPKXKSLTSLXNOY-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000925357635 613135407 /nfs/dbraw/zinc/13/54/07/613135407.db2.gz WUUCTYOCZMLXRK-OCCSQVGLSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000928652785 613136899 /nfs/dbraw/zinc/13/68/99/613136899.db2.gz MMDMINOKOMRCBL-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981959318 613154251 /nfs/dbraw/zinc/15/42/51/613154251.db2.gz LOOKHVVHEZIEPM-UONOGXRCSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000981959318 613154252 /nfs/dbraw/zinc/15/42/52/613154252.db2.gz LOOKHVVHEZIEPM-UONOGXRCSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981959318 613154253 /nfs/dbraw/zinc/15/42/53/613154253.db2.gz LOOKHVVHEZIEPM-UONOGXRCSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981959318 613154254 /nfs/dbraw/zinc/15/42/54/613154254.db2.gz LOOKHVVHEZIEPM-UONOGXRCSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000981976461 613154880 /nfs/dbraw/zinc/15/48/80/613154880.db2.gz LPWDMTMKCDRENB-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000981976461 613154882 /nfs/dbraw/zinc/15/48/82/613154882.db2.gz LPWDMTMKCDRENB-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176172 613155590 /nfs/dbraw/zinc/15/55/90/613155590.db2.gz NVTOXDRKSJIKFE-HNNXBMFYSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176172 613155591 /nfs/dbraw/zinc/15/55/91/613155591.db2.gz NVTOXDRKSJIKFE-HNNXBMFYSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+](CC)C2CC2)C1 ZINC000884128756 613168814 /nfs/dbraw/zinc/16/88/14/613168814.db2.gz NGICJWHEOGYRCW-CQSZACIVSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+](CC)C2CC2)C1 ZINC000884128756 613168815 /nfs/dbraw/zinc/16/88/15/613168815.db2.gz NGICJWHEOGYRCW-CQSZACIVSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+](CC)C2CC2)C1 ZINC000884128756 613168816 /nfs/dbraw/zinc/16/88/16/613168816.db2.gz NGICJWHEOGYRCW-CQSZACIVSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](CC)C2CC2)C1 ZINC000884128756 613168817 /nfs/dbraw/zinc/16/88/17/613168817.db2.gz NGICJWHEOGYRCW-CQSZACIVSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CCC)[NH+](C)C)C1 ZINC000923564652 613173146 /nfs/dbraw/zinc/17/31/46/613173146.db2.gz AYBFGWSINLEKBH-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CCC)[NH+](C)C)C1 ZINC000923564652 613173147 /nfs/dbraw/zinc/17/31/47/613173147.db2.gz AYBFGWSINLEKBH-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCF)C1 ZINC000969864593 613200887 /nfs/dbraw/zinc/20/08/87/613200887.db2.gz DTQOPJMGGSCANC-ZFWWWQNUSA-N 2 1 295.402 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCF)C1 ZINC000969864593 613200889 /nfs/dbraw/zinc/20/08/89/613200889.db2.gz DTQOPJMGGSCANC-ZFWWWQNUSA-N 2 1 295.402 0.880 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC2)C1 ZINC000969865083 613202106 /nfs/dbraw/zinc/20/21/06/613202106.db2.gz JIHOCMYXEFLFHY-CJNGLKHVSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC2)C1 ZINC000969865083 613202108 /nfs/dbraw/zinc/20/21/08/613202108.db2.gz JIHOCMYXEFLFHY-CJNGLKHVSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944942505 613258679 /nfs/dbraw/zinc/25/86/79/613258679.db2.gz AEYVGVNUWSDNEC-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC000947550724 613262158 /nfs/dbraw/zinc/26/21/58/613262158.db2.gz ANPGVMSWWKOFQA-JSGCOSHPSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC000947550724 613262161 /nfs/dbraw/zinc/26/21/61/613262161.db2.gz ANPGVMSWWKOFQA-JSGCOSHPSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982798753 613293343 /nfs/dbraw/zinc/29/33/43/613293343.db2.gz NRMLIOFFKRIXNI-BHYGNILZSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974584011 613298978 /nfs/dbraw/zinc/29/89/78/613298978.db2.gz CBFDUIGBOXBZOS-GJZGRUSLSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC000978235354 613307737 /nfs/dbraw/zinc/30/77/37/613307737.db2.gz VAYXGFFTKROCHD-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978235354 613307739 /nfs/dbraw/zinc/30/77/39/613307739.db2.gz VAYXGFFTKROCHD-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978235354 613307742 /nfs/dbraw/zinc/30/77/42/613307742.db2.gz VAYXGFFTKROCHD-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000959970642 613315725 /nfs/dbraw/zinc/31/57/25/613315725.db2.gz BOQUIBWLFOQILM-POQQGIQPSA-N 2 1 261.369 0.006 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959970642 613315726 /nfs/dbraw/zinc/31/57/26/613315726.db2.gz BOQUIBWLFOQILM-POQQGIQPSA-N 2 1 261.369 0.006 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959970642 613315727 /nfs/dbraw/zinc/31/57/27/613315727.db2.gz BOQUIBWLFOQILM-POQQGIQPSA-N 2 1 261.369 0.006 20 30 CCEDMP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000957650492 613319270 /nfs/dbraw/zinc/31/92/70/613319270.db2.gz ZWRSZXXGSDSYMF-ZDUSSCGKSA-N 2 1 251.374 0.658 20 30 CCEDMP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000957650492 613319271 /nfs/dbraw/zinc/31/92/71/613319271.db2.gz ZWRSZXXGSDSYMF-ZDUSSCGKSA-N 2 1 251.374 0.658 20 30 CCEDMP C#CCNC(=O)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785920 613333424 /nfs/dbraw/zinc/33/34/24/613333424.db2.gz NLQSYECQYQASAV-YOGCLGLASA-N 2 1 278.356 0.107 20 30 CCEDMP C#CCNC(=O)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785920 613333426 /nfs/dbraw/zinc/33/34/26/613333426.db2.gz NLQSYECQYQASAV-YOGCLGLASA-N 2 1 278.356 0.107 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000910927521 613364567 /nfs/dbraw/zinc/36/45/67/613364567.db2.gz ALAQOAAELHPEAI-KBPBESRZSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000900681295 613365154 /nfs/dbraw/zinc/36/51/54/613365154.db2.gz KCFWQEPXMPOESJ-UHFFFAOYSA-N 2 1 279.388 0.610 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000901141431 613365543 /nfs/dbraw/zinc/36/55/43/613365543.db2.gz RHPAXGSWDKZLGB-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000901141431 613365544 /nfs/dbraw/zinc/36/55/44/613365544.db2.gz RHPAXGSWDKZLGB-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346670 613366639 /nfs/dbraw/zinc/36/66/39/613366639.db2.gz ISOQRGCGVMVUHI-AWEZNQCLSA-N 3 1 284.448 0.492 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346670 613366640 /nfs/dbraw/zinc/36/66/40/613366640.db2.gz ISOQRGCGVMVUHI-AWEZNQCLSA-N 3 1 284.448 0.492 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000876747159 613389919 /nfs/dbraw/zinc/38/99/19/613389919.db2.gz XLAMATADECKNQL-PWSUYJOCSA-N 2 1 289.807 0.541 20 30 CCEDMP CC#CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000801145329 613516645 /nfs/dbraw/zinc/51/66/45/613516645.db2.gz QOWFMDWMYWSRBA-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000969971103 613536448 /nfs/dbraw/zinc/53/64/48/613536448.db2.gz WVVCLUTYPCYHMZ-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CCN1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981960712 613551551 /nfs/dbraw/zinc/55/15/51/613551551.db2.gz XGUUTMZRGDPXLZ-HUUCEWRRSA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981960712 613551555 /nfs/dbraw/zinc/55/15/55/613551555.db2.gz XGUUTMZRGDPXLZ-HUUCEWRRSA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981960712 613551557 /nfs/dbraw/zinc/55/15/57/613551557.db2.gz XGUUTMZRGDPXLZ-HUUCEWRRSA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000981960712 613551560 /nfs/dbraw/zinc/55/15/60/613551560.db2.gz XGUUTMZRGDPXLZ-HUUCEWRRSA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981960712 613551566 /nfs/dbraw/zinc/55/15/66/613551566.db2.gz XGUUTMZRGDPXLZ-HUUCEWRRSA-N 2 1 277.412 0.742 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000980448464 613617409 /nfs/dbraw/zinc/61/74/09/613617409.db2.gz MRQGJZIWGHQZDF-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000980448464 613617411 /nfs/dbraw/zinc/61/74/11/613617411.db2.gz MRQGJZIWGHQZDF-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000980448464 613617412 /nfs/dbraw/zinc/61/74/12/613617412.db2.gz MRQGJZIWGHQZDF-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000980448464 613617414 /nfs/dbraw/zinc/61/74/14/613617414.db2.gz MRQGJZIWGHQZDF-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970869943 613661879 /nfs/dbraw/zinc/66/18/79/613661879.db2.gz RXJMJMLCPQLKSR-VXGBXAGGSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000968797494 613686462 /nfs/dbraw/zinc/68/64/62/613686462.db2.gz YCZXRWMPMYMTSM-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000968797494 613686463 /nfs/dbraw/zinc/68/64/63/613686463.db2.gz YCZXRWMPMYMTSM-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968797494 613686464 /nfs/dbraw/zinc/68/64/64/613686464.db2.gz YCZXRWMPMYMTSM-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968797494 613686465 /nfs/dbraw/zinc/68/64/65/613686465.db2.gz YCZXRWMPMYMTSM-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000104179639 614706272 /nfs/dbraw/zinc/70/62/72/614706272.db2.gz VIKQUXFVWFQNCL-LBPRGKRZSA-N 2 1 254.378 0.365 20 30 CCEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])N[C@@H](C)COC)CC1 ZINC000104174736 615159819 /nfs/dbraw/zinc/15/98/19/615159819.db2.gz LNQYLPSHVWFKBL-KGLIPLIRSA-N 2 1 299.463 0.199 20 30 CCEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852884328 616344160 /nfs/dbraw/zinc/34/41/60/616344160.db2.gz IJRIIIHAWDYSLP-HZPDHXFCSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001026148412 625343608 /nfs/dbraw/zinc/34/36/08/625343608.db2.gz HJOFBVJIAUGUPK-LFPSSSAGSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001026148412 625343611 /nfs/dbraw/zinc/34/36/11/625343611.db2.gz HJOFBVJIAUGUPK-LFPSSSAGSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001026148412 625343616 /nfs/dbraw/zinc/34/36/16/625343616.db2.gz HJOFBVJIAUGUPK-LFPSSSAGSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703659 623108287 /nfs/dbraw/zinc/10/82/87/623108287.db2.gz PQXHHCMFESDRGN-AWEZNQCLSA-N 2 1 275.396 0.544 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023749907 623127688 /nfs/dbraw/zinc/12/76/88/623127688.db2.gz CMZPFTDZKDZDAR-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023749907 623127704 /nfs/dbraw/zinc/12/77/04/623127704.db2.gz CMZPFTDZKDZDAR-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023749907 623127725 /nfs/dbraw/zinc/12/77/25/623127725.db2.gz CMZPFTDZKDZDAR-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024630816 623402605 /nfs/dbraw/zinc/40/26/05/623402605.db2.gz XMFGRYBYDFFMLU-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781598 623882453 /nfs/dbraw/zinc/88/24/53/623882453.db2.gz KWNWATZKSAMYNO-RFBLXINOSA-N 2 1 287.407 0.540 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781598 623882454 /nfs/dbraw/zinc/88/24/54/623882454.db2.gz KWNWATZKSAMYNO-RFBLXINOSA-N 2 1 287.407 0.540 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781598 623882455 /nfs/dbraw/zinc/88/24/55/623882455.db2.gz KWNWATZKSAMYNO-RFBLXINOSA-N 2 1 287.407 0.540 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001022290801 624911468 /nfs/dbraw/zinc/91/14/68/624911468.db2.gz QDAPKHDJSLBZSG-FRRDWIJNSA-N 2 1 251.374 0.894 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001027464286 625897902 /nfs/dbraw/zinc/89/79/02/625897902.db2.gz KTHLOTVGYUVNNK-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001027464286 625897905 /nfs/dbraw/zinc/89/79/05/625897905.db2.gz KTHLOTVGYUVNNK-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001027464286 625897907 /nfs/dbraw/zinc/89/79/07/625897907.db2.gz KTHLOTVGYUVNNK-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027464286 625897914 /nfs/dbraw/zinc/89/79/14/625897914.db2.gz KTHLOTVGYUVNNK-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP CN(C)C(=O)CNC(N[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]C1CC1 ZINC000083166826 630973286 /nfs/dbraw/zinc/97/32/86/630973286.db2.gz DOIYIRWNUQSDJP-GFCCVEGCSA-N 2 1 293.415 0.009 20 30 CCEDMP CN(C)C(=O)CNC(N[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]C1CC1 ZINC000083166826 630973297 /nfs/dbraw/zinc/97/32/97/630973297.db2.gz DOIYIRWNUQSDJP-GFCCVEGCSA-N 2 1 293.415 0.009 20 30 CCEDMP C[NH+]=C(NCCn1cccn1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261744491 631567877 /nfs/dbraw/zinc/56/78/77/631567877.db2.gz LAWMOPKHYXCRKS-GXTWGEPZSA-N 2 1 290.415 0.531 20 30 CCEDMP C[NH+]=C(NCCn1cccn1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261744494 631568837 /nfs/dbraw/zinc/56/88/37/631568837.db2.gz LAWMOPKHYXCRKS-TZMCWYRMSA-N 2 1 290.415 0.531 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCCS1)NC[C@H]1C[N@@H+](C)CCN1C ZINC000262008513 631752439 /nfs/dbraw/zinc/75/24/39/631752439.db2.gz WDEOFFAPEUMQDD-STQMWFEESA-N 2 1 299.488 0.293 20 30 CCEDMP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC000989187676 633167116 /nfs/dbraw/zinc/16/71/16/633167116.db2.gz MZKUFRRXVSEUCE-WCQYABFASA-N 2 1 262.357 0.957 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001008531231 650118528 /nfs/dbraw/zinc/11/85/28/650118528.db2.gz LHFQSTARTJTPCL-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001008531231 650118529 /nfs/dbraw/zinc/11/85/29/650118529.db2.gz LHFQSTARTJTPCL-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001008531231 650118530 /nfs/dbraw/zinc/11/85/30/650118530.db2.gz LHFQSTARTJTPCL-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001008531231 650118531 /nfs/dbraw/zinc/11/85/31/650118531.db2.gz LHFQSTARTJTPCL-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010429854 650225498 /nfs/dbraw/zinc/22/54/98/650225498.db2.gz WXBGWVQKGJHWKI-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010429854 650225503 /nfs/dbraw/zinc/22/55/03/650225503.db2.gz WXBGWVQKGJHWKI-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010429854 650225507 /nfs/dbraw/zinc/22/55/07/650225507.db2.gz WXBGWVQKGJHWKI-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010429854 650225513 /nfs/dbraw/zinc/22/55/13/650225513.db2.gz WXBGWVQKGJHWKI-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC000992415494 637398444 /nfs/dbraw/zinc/39/84/44/637398444.db2.gz ARNLHWBCFOVULM-ZBFHGGJFSA-N 2 1 286.379 0.709 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994248421 637893121 /nfs/dbraw/zinc/89/31/21/637893121.db2.gz FFOFRMJJLNRKAK-KBPBESRZSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994248421 637893126 /nfs/dbraw/zinc/89/31/26/637893126.db2.gz FFOFRMJJLNRKAK-KBPBESRZSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996619363 638824790 /nfs/dbraw/zinc/82/47/90/638824790.db2.gz ZTYGMMRWILDDLX-STQMWFEESA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999365687 638977862 /nfs/dbraw/zinc/97/78/62/638977862.db2.gz RHUQVKSAPUOTOL-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000999863880 639010164 /nfs/dbraw/zinc/01/01/64/639010164.db2.gz VMTPVSZSZMFYMY-NRXISQOPSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000999863880 639010168 /nfs/dbraw/zinc/01/01/68/639010168.db2.gz VMTPVSZSZMFYMY-NRXISQOPSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001000195114 639051579 /nfs/dbraw/zinc/05/15/79/639051579.db2.gz XKBQXKVSJYKATQ-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001014728068 650482549 /nfs/dbraw/zinc/48/25/49/650482549.db2.gz KPGFMKIJOLUIFZ-KGLIPLIRSA-N 2 1 286.379 0.974 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001014728068 650482554 /nfs/dbraw/zinc/48/25/54/650482554.db2.gz KPGFMKIJOLUIFZ-KGLIPLIRSA-N 2 1 286.379 0.974 20 30 CCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002128464 639369839 /nfs/dbraw/zinc/36/98/39/639369839.db2.gz XWFJPEPMEWQLTC-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H]1C[NH3+] ZINC000923412403 640128740 /nfs/dbraw/zinc/12/87/40/640128740.db2.gz VSZBSWYLJMTBEF-SNPRPXQTSA-N 2 1 289.379 0.825 20 30 CCEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016970329 650774723 /nfs/dbraw/zinc/77/47/23/650774723.db2.gz TWMHLQGMCTWHJB-HUUCEWRRSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016970326 650775207 /nfs/dbraw/zinc/77/52/07/650775207.db2.gz TWMHLQGMCTWHJB-CABCVRRESA-N 2 1 289.423 0.932 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](C2CC2)CC1 ZINC000852858251 644026136 /nfs/dbraw/zinc/02/61/36/644026136.db2.gz WEJBIXWFIMDBSK-UHFFFAOYSA-N 2 1 261.369 0.296 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001018871198 650917511 /nfs/dbraw/zinc/91/75/11/650917511.db2.gz ZDSNQNYXUMAWDE-MELADBBJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001020240044 651051787 /nfs/dbraw/zinc/05/17/87/651051787.db2.gz SQYUDFPNRBSRHN-AVGNSLFASA-N 2 1 272.352 0.631 20 30 CCEDMP C=CCNC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303264327 649813683 /nfs/dbraw/zinc/81/36/83/649813683.db2.gz SDZFNCOPRUAYLH-TXEJJXNPSA-N 2 1 254.378 0.576 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc[nH]n1 ZINC000303905793 649826981 /nfs/dbraw/zinc/82/69/81/649826981.db2.gz ZNVYEZDUDCVPCD-NSHDSACASA-N 2 1 250.350 0.298 20 30 CCEDMP COCC#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230262689 805590208 /nfs/dbraw/zinc/59/02/08/805590208.db2.gz NFUOPESAMMDVID-CQSZACIVSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266322851 790504759 /nfs/dbraw/zinc/50/47/59/790504759.db2.gz PBFCWAPBXPAJEF-CQSZACIVSA-N 2 1 295.427 0.864 20 30 CCEDMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001266324808 790506505 /nfs/dbraw/zinc/50/65/05/790506505.db2.gz DFKIZPHKUVFFIA-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001266324808 790506508 /nfs/dbraw/zinc/50/65/08/790506508.db2.gz DFKIZPHKUVFFIA-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001266548499 790910257 /nfs/dbraw/zinc/91/02/57/790910257.db2.gz BBKRHMQQAHJOCL-ZDUSSCGKSA-N 2 1 262.357 0.816 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001266548499 790910265 /nfs/dbraw/zinc/91/02/65/790910265.db2.gz BBKRHMQQAHJOCL-ZDUSSCGKSA-N 2 1 262.357 0.816 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001266614949 791035911 /nfs/dbraw/zinc/03/59/11/791035911.db2.gz VRWYHEOBZCDBPT-AJNGGQMLSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001277494057 805746954 /nfs/dbraw/zinc/74/69/54/805746954.db2.gz NVABZFYJDVONKQ-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CCC[N@@H+](C)CCOCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001277494057 805746958 /nfs/dbraw/zinc/74/69/58/805746958.db2.gz NVABZFYJDVONKQ-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CCC[N@H+](C)CCOCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001277494057 805746961 /nfs/dbraw/zinc/74/69/61/805746961.db2.gz NVABZFYJDVONKQ-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267015063 791450368 /nfs/dbraw/zinc/45/03/68/791450368.db2.gz XKCSKWHPSKGZQV-ZDUSSCGKSA-N 2 1 260.341 0.405 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001267022052 791456544 /nfs/dbraw/zinc/45/65/44/791456544.db2.gz JRDRFZWADYNPAM-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001267130068 791575767 /nfs/dbraw/zinc/57/57/67/791575767.db2.gz CFEIXJZABRTKAL-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP CC[N@H+](CC#CCOC)CCNC(=O)Cc1[nH]cnc1C ZINC001267254853 793252759 /nfs/dbraw/zinc/25/27/59/793252759.db2.gz HRVJGJDNKPZJNN-UHFFFAOYSA-N 2 1 292.383 0.349 20 30 CCEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001277938976 806410404 /nfs/dbraw/zinc/41/04/04/806410404.db2.gz XPBXYKHQBQKMLI-GXTWGEPZSA-N 2 1 288.395 0.824 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161227305 800216155 /nfs/dbraw/zinc/21/61/55/800216155.db2.gz XZCMQCMAMVPRMT-UHFFFAOYSA-N 2 1 253.390 0.836 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149849211 800303329 /nfs/dbraw/zinc/30/33/29/800303329.db2.gz RPVXJGVQYRIBNM-AWEZNQCLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150587133 800349115 /nfs/dbraw/zinc/34/91/15/800349115.db2.gz FCWOOSZAEQSBBP-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150587133 800349123 /nfs/dbraw/zinc/34/91/23/800349123.db2.gz FCWOOSZAEQSBBP-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150587133 800349130 /nfs/dbraw/zinc/34/91/30/800349130.db2.gz FCWOOSZAEQSBBP-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001151049235 800389995 /nfs/dbraw/zinc/38/99/95/800389995.db2.gz KRAPXTVBCYHNTM-MRXNPFEDSA-N 2 1 285.391 0.696 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152387001 800514728 /nfs/dbraw/zinc/51/47/28/800514728.db2.gz WNEMCPNLOSWDBH-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152387001 800514734 /nfs/dbraw/zinc/51/47/34/800514734.db2.gz WNEMCPNLOSWDBH-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152387001 800514740 /nfs/dbraw/zinc/51/47/40/800514740.db2.gz WNEMCPNLOSWDBH-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152391852 800517011 /nfs/dbraw/zinc/51/70/11/800517011.db2.gz GVEZCCXXOYFOQI-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#CCOC ZINC001152452188 800524381 /nfs/dbraw/zinc/52/43/81/800524381.db2.gz VYMIQIZCRDKGMP-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152619626 800544350 /nfs/dbraw/zinc/54/43/50/800544350.db2.gz FWLHTMSOKGTMPS-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152619626 800544355 /nfs/dbraw/zinc/54/43/55/800544355.db2.gz FWLHTMSOKGTMPS-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152619626 800544357 /nfs/dbraw/zinc/54/43/57/800544357.db2.gz FWLHTMSOKGTMPS-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152619626 800544361 /nfs/dbraw/zinc/54/43/61/800544361.db2.gz FWLHTMSOKGTMPS-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156889943 801254749 /nfs/dbraw/zinc/25/47/49/801254749.db2.gz FPQNTCSEFOPBAK-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156889943 801254753 /nfs/dbraw/zinc/25/47/53/801254753.db2.gz FPQNTCSEFOPBAK-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156889943 801254756 /nfs/dbraw/zinc/25/47/56/801254756.db2.gz FPQNTCSEFOPBAK-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001157747435 801470137 /nfs/dbraw/zinc/47/01/37/801470137.db2.gz HAPFKNHJXJCKMO-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486812 801658319 /nfs/dbraw/zinc/65/83/19/801658319.db2.gz RUYATQJHXURCAF-QWHCGFSZSA-N 2 1 267.373 0.132 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158505658 801660048 /nfs/dbraw/zinc/66/00/48/801660048.db2.gz FFLOPXXWNAMOJC-UONOGXRCSA-N 2 1 281.400 0.522 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159878214 801885205 /nfs/dbraw/zinc/88/52/05/801885205.db2.gz WFAJROFPJRJOLC-CQSZACIVSA-N 2 1 293.415 0.485 20 30 CCEDMP N#Cc1ccc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)nc1 ZINC001160508138 801953780 /nfs/dbraw/zinc/95/37/80/801953780.db2.gz DHRQTLWBTKEDNK-AWEZNQCLSA-N 2 1 257.341 0.788 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162611950 802378664 /nfs/dbraw/zinc/37/86/64/802378664.db2.gz WKLHWSCDRJUIET-UHFFFAOYSA-N 2 1 250.346 0.864 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166694075 802941342 /nfs/dbraw/zinc/94/13/42/802941342.db2.gz VDIMBUQRLBRWEV-STQMWFEESA-N 2 1 251.374 0.303 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001276407224 803021343 /nfs/dbraw/zinc/02/13/43/803021343.db2.gz XJYARNMUDCDEMV-LBPRGKRZSA-N 2 1 262.357 0.814 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001205479764 803142872 /nfs/dbraw/zinc/14/28/72/803142872.db2.gz XLNRUCWLACOUAW-INIZCTEOSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001205479764 803142878 /nfs/dbraw/zinc/14/28/78/803142878.db2.gz XLNRUCWLACOUAW-INIZCTEOSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028757601 813444734 /nfs/dbraw/zinc/44/47/34/813444734.db2.gz GPMPNGZAZPYNEO-GJZGRUSLSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757601 813444738 /nfs/dbraw/zinc/44/47/38/813444738.db2.gz GPMPNGZAZPYNEO-GJZGRUSLSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757601 813444746 /nfs/dbraw/zinc/44/47/46/813444746.db2.gz GPMPNGZAZPYNEO-GJZGRUSLSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028757603 813445537 /nfs/dbraw/zinc/44/55/37/813445537.db2.gz GPMPNGZAZPYNEO-HUUCEWRRSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757603 813445542 /nfs/dbraw/zinc/44/55/42/813445542.db2.gz GPMPNGZAZPYNEO-HUUCEWRRSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757603 813445551 /nfs/dbraw/zinc/44/55/51/813445551.db2.gz GPMPNGZAZPYNEO-HUUCEWRRSA-N 2 1 293.411 0.167 20 30 CCEDMP CCc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1C#N ZINC001206535302 803262627 /nfs/dbraw/zinc/26/26/27/803262627.db2.gz IXHMXLDQHVIFQK-GJZGRUSLSA-N 2 1 259.353 0.872 20 30 CCEDMP CCc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1C#N ZINC001206535302 803262633 /nfs/dbraw/zinc/26/26/33/803262633.db2.gz IXHMXLDQHVIFQK-GJZGRUSLSA-N 2 1 259.353 0.872 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208707969 803537524 /nfs/dbraw/zinc/53/75/24/803537524.db2.gz OFVWKDOZFSUJOC-MCIONIFRSA-N 2 1 265.401 0.786 20 30 CCEDMP N#Cc1ccnnc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263290 803643977 /nfs/dbraw/zinc/64/39/77/803643977.db2.gz WGXBAUVLUAUMSA-UHFFFAOYSA-N 2 1 281.323 0.896 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCn2ccnc2)[C@H](OC)C1 ZINC001213239409 803686255 /nfs/dbraw/zinc/68/62/55/803686255.db2.gz ISOAKNHKKPYLTB-ZIAGYGMSSA-N 2 1 292.383 0.665 20 30 CCEDMP C=C(C)CN1C[C@@H](NC(=O)CCn2ccnc2)[C@H](OC)C1 ZINC001213239409 803686259 /nfs/dbraw/zinc/68/62/59/803686259.db2.gz ISOAKNHKKPYLTB-ZIAGYGMSSA-N 2 1 292.383 0.665 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598457 803697282 /nfs/dbraw/zinc/69/72/82/803697282.db2.gz GXJSCTZGSFTVAL-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C[NH2+]CCC[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000402201077 803817741 /nfs/dbraw/zinc/81/77/41/803817741.db2.gz IPMAEALYPPZHDT-AWEZNQCLSA-N 2 1 277.368 0.839 20 30 CCEDMP C[NH2+]CCC[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000402201077 803817749 /nfs/dbraw/zinc/81/77/49/803817749.db2.gz IPMAEALYPPZHDT-AWEZNQCLSA-N 2 1 277.368 0.839 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001216511358 803840757 /nfs/dbraw/zinc/84/07/57/803840757.db2.gz PHLLZCYKYZIMJW-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216757994 803854886 /nfs/dbraw/zinc/85/48/86/803854886.db2.gz VBIJQYVPRXFGIO-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218550694 804002486 /nfs/dbraw/zinc/00/24/86/804002486.db2.gz KAFRTNLFGXZHRX-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218937484 804161773 /nfs/dbraw/zinc/16/17/73/804161773.db2.gz YUKHWENSXLVVEU-HNNXBMFYSA-N 2 1 257.337 0.664 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830214 804430350 /nfs/dbraw/zinc/43/03/50/804430350.db2.gz RNQZLYSUBCERDA-KFWWJZLASA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830214 804430355 /nfs/dbraw/zinc/43/03/55/804430355.db2.gz RNQZLYSUBCERDA-KFWWJZLASA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830214 804430360 /nfs/dbraw/zinc/43/03/60/804430360.db2.gz RNQZLYSUBCERDA-KFWWJZLASA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830214 804430363 /nfs/dbraw/zinc/43/03/63/804430363.db2.gz RNQZLYSUBCERDA-KFWWJZLASA-N 2 1 293.411 0.045 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220826361 804675415 /nfs/dbraw/zinc/67/54/15/804675415.db2.gz ZUWBOEZXMJMUSX-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220826361 804675418 /nfs/dbraw/zinc/67/54/18/804675418.db2.gz ZUWBOEZXMJMUSX-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220826361 804675422 /nfs/dbraw/zinc/67/54/22/804675422.db2.gz ZUWBOEZXMJMUSX-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221071997 804726913 /nfs/dbraw/zinc/72/69/13/804726913.db2.gz OLKOALDWMKUHQU-CABCVRRESA-N 2 1 295.427 0.600 20 30 CCEDMP CC(C)C[C@](C)(C#N)NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001221293041 804769573 /nfs/dbraw/zinc/76/95/73/804769573.db2.gz YKUOZWKSRVNFLV-CQSZACIVSA-N 2 1 266.389 0.773 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587669 804832178 /nfs/dbraw/zinc/83/21/78/804832178.db2.gz CVPXMDLCCKWMQR-RBSFLKMASA-N 2 1 295.402 0.832 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587669 804832186 /nfs/dbraw/zinc/83/21/86/804832186.db2.gz CVPXMDLCCKWMQR-RBSFLKMASA-N 2 1 295.402 0.832 20 30 CCEDMP N#Cc1ccnc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222506930 804909804 /nfs/dbraw/zinc/90/98/04/804909804.db2.gz ICWMHAFSZKVWMF-GJZGRUSLSA-N 2 1 271.368 0.479 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001276923317 804993233 /nfs/dbraw/zinc/99/32/33/804993233.db2.gz HVCVNGDSOBKANO-ZIAGYGMSSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001276923317 804993236 /nfs/dbraw/zinc/99/32/36/804993236.db2.gz HVCVNGDSOBKANO-ZIAGYGMSSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cc(CN(C)C)on2)[C@H]1C ZINC001088688544 815057934 /nfs/dbraw/zinc/05/79/34/815057934.db2.gz QTXLEYHULLNJMN-YPMHNXCESA-N 2 1 290.367 0.562 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246017579 807117831 /nfs/dbraw/zinc/11/78/31/807117831.db2.gz BNYDWFIMIIXFGE-QWRGUYRKSA-N 2 1 264.316 0.466 20 30 CCEDMP C=CCOC[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246017579 807117835 /nfs/dbraw/zinc/11/78/35/807117835.db2.gz BNYDWFIMIIXFGE-QWRGUYRKSA-N 2 1 264.316 0.466 20 30 CCEDMP C=CCN1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C1=O ZINC001246362209 807233081 /nfs/dbraw/zinc/23/30/81/807233081.db2.gz KQDCXYDOGRFTHC-AVGNSLFASA-N 2 1 251.374 0.894 20 30 CCEDMP COC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC(C#N)CC1 ZINC001246403065 807243430 /nfs/dbraw/zinc/24/34/30/807243430.db2.gz ZZHFSQJDDBILFU-MCIGGMRASA-N 2 1 253.346 0.939 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001251852047 807722304 /nfs/dbraw/zinc/72/23/04/807722304.db2.gz YVRVFTXLMBWNGJ-CQSZACIVSA-N 2 1 266.385 0.415 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001251858357 807724846 /nfs/dbraw/zinc/72/48/46/807724846.db2.gz WKBHFVOWGHSNGY-CABCVRRESA-N 2 1 290.363 0.854 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001251858357 807724850 /nfs/dbraw/zinc/72/48/50/807724850.db2.gz WKBHFVOWGHSNGY-CABCVRRESA-N 2 1 290.363 0.854 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001251858359 807725413 /nfs/dbraw/zinc/72/54/13/807725413.db2.gz WKBHFVOWGHSNGY-HUUCEWRRSA-N 2 1 290.363 0.854 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001251858359 807725419 /nfs/dbraw/zinc/72/54/19/807725419.db2.gz WKBHFVOWGHSNGY-HUUCEWRRSA-N 2 1 290.363 0.854 20 30 CCEDMP C=C[C@](C)(O)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001252557647 807910273 /nfs/dbraw/zinc/91/02/73/807910273.db2.gz OFBBWJQEAJTZRI-INIZCTEOSA-N 2 1 281.444 0.883 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@@H](O)C1 ZINC001083505378 815178385 /nfs/dbraw/zinc/17/83/85/815178385.db2.gz LNKQFVMAICPDBG-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](O)C1 ZINC001083505378 815178388 /nfs/dbraw/zinc/17/83/88/815178388.db2.gz LNKQFVMAICPDBG-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083505378 815178393 /nfs/dbraw/zinc/17/83/93/815178393.db2.gz LNKQFVMAICPDBG-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083505378 815178397 /nfs/dbraw/zinc/17/83/97/815178397.db2.gz LNKQFVMAICPDBG-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001278787915 808244787 /nfs/dbraw/zinc/24/47/87/808244787.db2.gz XRZRKDHEMSZYPM-ZBFHGGJFSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001278787915 808244791 /nfs/dbraw/zinc/24/47/91/808244791.db2.gz XRZRKDHEMSZYPM-ZBFHGGJFSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001278787915 808244793 /nfs/dbraw/zinc/24/47/93/808244793.db2.gz XRZRKDHEMSZYPM-ZBFHGGJFSA-N 2 1 293.411 0.047 20 30 CCEDMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001261460197 808984807 /nfs/dbraw/zinc/98/48/07/808984807.db2.gz VLFQVXPDFHQHEA-OLZOCXBDSA-N 2 1 266.389 0.856 20 30 CCEDMP C[N@@H+]1CC=C(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC001262566899 809346695 /nfs/dbraw/zinc/34/66/95/809346695.db2.gz DDBBWMIZFXIQNL-OAHLLOKOSA-N 2 1 293.411 0.909 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001264148239 809635318 /nfs/dbraw/zinc/63/53/18/809635318.db2.gz BQUCWXXXEZDYTJ-FRRDWIJNSA-N 2 1 251.374 0.539 20 30 CCEDMP C#CCC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001265378408 809768952 /nfs/dbraw/zinc/76/89/52/809768952.db2.gz LBQDMNDHXJXXFL-ZFWWWQNUSA-N 2 1 277.412 0.836 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265470354 809786229 /nfs/dbraw/zinc/78/62/29/809786229.db2.gz FSMYYKXUPVRJOX-JHJVBQTASA-N 2 1 251.374 0.894 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001265540432 809800864 /nfs/dbraw/zinc/80/08/64/809800864.db2.gz QGJHTUWYARIGSC-LJISPDSOSA-N 2 1 277.412 0.977 20 30 CCEDMP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266134345 809944767 /nfs/dbraw/zinc/94/47/67/809944767.db2.gz WEDXONJGXJTSFQ-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266134345 809944770 /nfs/dbraw/zinc/94/47/70/809944770.db2.gz WEDXONJGXJTSFQ-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001279635938 809989865 /nfs/dbraw/zinc/98/98/65/809989865.db2.gz FHKQAZOHKOOJEG-CQSZACIVSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001279635938 809989869 /nfs/dbraw/zinc/98/98/69/809989869.db2.gz FHKQAZOHKOOJEG-CQSZACIVSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001279635938 809989872 /nfs/dbraw/zinc/98/98/72/809989872.db2.gz FHKQAZOHKOOJEG-CQSZACIVSA-N 2 1 275.396 0.710 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076812772 815383671 /nfs/dbraw/zinc/38/36/71/815383671.db2.gz SYDCHIAAOVCPDO-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001076812772 815383677 /nfs/dbraw/zinc/38/36/77/815383677.db2.gz SYDCHIAAOVCPDO-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076812772 815383683 /nfs/dbraw/zinc/38/36/83/815383683.db2.gz SYDCHIAAOVCPDO-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076812772 815383689 /nfs/dbraw/zinc/38/36/89/815383689.db2.gz SYDCHIAAOVCPDO-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267282735 811093079 /nfs/dbraw/zinc/09/30/79/811093079.db2.gz SSDMFSLTDOJVKO-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267282735 811093088 /nfs/dbraw/zinc/09/30/88/811093088.db2.gz SSDMFSLTDOJVKO-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267282735 811093098 /nfs/dbraw/zinc/09/30/98/811093098.db2.gz SSDMFSLTDOJVKO-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267513937 811389925 /nfs/dbraw/zinc/38/99/25/811389925.db2.gz QOXZVCMPWUFZRG-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267513937 811389937 /nfs/dbraw/zinc/38/99/37/811389937.db2.gz QOXZVCMPWUFZRG-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267766240 811763882 /nfs/dbraw/zinc/76/38/82/811763882.db2.gz GGAWZVKYMLWUGQ-QWHCGFSZSA-N 2 1 251.374 0.493 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267991093 811929930 /nfs/dbraw/zinc/92/99/30/811929930.db2.gz NJUAZMLFHFTJHU-CABCVRRESA-N 2 1 295.427 0.462 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268099736 812257546 /nfs/dbraw/zinc/25/75/46/812257546.db2.gz HPCSDQKTUPMAPP-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CCN1CC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038863860 812266714 /nfs/dbraw/zinc/26/67/14/812266714.db2.gz FCJDIRBJOFVTGC-HNNXBMFYSA-N 2 1 295.346 0.705 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028116122 812289253 /nfs/dbraw/zinc/28/92/53/812289253.db2.gz CLPJXBILFNZBPG-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001268409016 812550867 /nfs/dbraw/zinc/55/08/67/812550867.db2.gz RPVHRBRQXZMGIL-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001268423976 812561016 /nfs/dbraw/zinc/56/10/16/812561016.db2.gz MAFLAOXOXSMWMI-STQMWFEESA-N 2 1 269.389 0.378 20 30 CCEDMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268423976 812561023 /nfs/dbraw/zinc/56/10/23/812561023.db2.gz MAFLAOXOXSMWMI-STQMWFEESA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028628397 812997776 /nfs/dbraw/zinc/99/77/76/812997776.db2.gz SHJSYXGQJDSRQX-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028628397 812997780 /nfs/dbraw/zinc/99/77/80/812997780.db2.gz SHJSYXGQJDSRQX-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028628397 812997784 /nfs/dbraw/zinc/99/77/84/812997784.db2.gz SHJSYXGQJDSRQX-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628397 812997789 /nfs/dbraw/zinc/99/77/89/812997789.db2.gz SHJSYXGQJDSRQX-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628397 812997793 /nfs/dbraw/zinc/99/77/93/812997793.db2.gz SHJSYXGQJDSRQX-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028628396 812997856 /nfs/dbraw/zinc/99/78/56/812997856.db2.gz SHJSYXGQJDSRQX-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028628396 812997859 /nfs/dbraw/zinc/99/78/59/812997859.db2.gz SHJSYXGQJDSRQX-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028628396 812997863 /nfs/dbraw/zinc/99/78/63/812997863.db2.gz SHJSYXGQJDSRQX-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628396 812997865 /nfs/dbraw/zinc/99/78/65/812997865.db2.gz SHJSYXGQJDSRQX-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628396 812997870 /nfs/dbraw/zinc/99/78/70/812997870.db2.gz SHJSYXGQJDSRQX-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268747558 813060844 /nfs/dbraw/zinc/06/08/44/813060844.db2.gz SBUOYYBNRAZHQE-GXTWGEPZSA-N 2 1 288.395 0.824 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268747558 813060849 /nfs/dbraw/zinc/06/08/49/813060849.db2.gz SBUOYYBNRAZHQE-GXTWGEPZSA-N 2 1 288.395 0.824 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001028636852 813074167 /nfs/dbraw/zinc/07/41/67/813074167.db2.gz ROULNWRYDGAQIG-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028636852 813074176 /nfs/dbraw/zinc/07/41/76/813074176.db2.gz ROULNWRYDGAQIG-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028636852 813074181 /nfs/dbraw/zinc/07/41/81/813074181.db2.gz ROULNWRYDGAQIG-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)CCC)C1CC1 ZINC001269140206 813235824 /nfs/dbraw/zinc/23/58/24/813235824.db2.gz DQHJDFVIHVWCRY-AWEZNQCLSA-N 2 1 265.401 0.836 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001269320358 813323250 /nfs/dbraw/zinc/32/32/50/813323250.db2.gz BBGHFSWBZIOAIA-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001269320358 813323259 /nfs/dbraw/zinc/32/32/59/813323259.db2.gz BBGHFSWBZIOAIA-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001269475331 813383495 /nfs/dbraw/zinc/38/34/95/813383495.db2.gz LMMVQVPNEXEGAO-KBPBESRZSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028933958 813673340 /nfs/dbraw/zinc/67/33/40/813673340.db2.gz VDQCYBFXAQSQTI-CQSZACIVSA-N 2 1 275.396 0.544 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001271380418 814398633 /nfs/dbraw/zinc/39/86/33/814398633.db2.gz LSSPOOQRMWHFNR-CYBMUJFWSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001271380418 814398640 /nfs/dbraw/zinc/39/86/40/814398640.db2.gz LSSPOOQRMWHFNR-CYBMUJFWSA-N 2 1 281.400 0.067 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199754 814444157 /nfs/dbraw/zinc/44/41/57/814444157.db2.gz BPVWJDUSSXFVEU-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199754 814444161 /nfs/dbraw/zinc/44/41/61/814444161.db2.gz BPVWJDUSSXFVEU-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199754 814444166 /nfs/dbraw/zinc/44/41/66/814444166.db2.gz BPVWJDUSSXFVEU-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001088286968 814574733 /nfs/dbraw/zinc/57/47/33/814574733.db2.gz MNWNPNCLEUVDCQ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001088286968 814574740 /nfs/dbraw/zinc/57/47/40/814574740.db2.gz MNWNPNCLEUVDCQ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCN1CCC[C@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001271988633 814665926 /nfs/dbraw/zinc/66/59/26/814665926.db2.gz WKHUFIITJPUXAA-HNNXBMFYSA-N 2 1 283.416 0.457 20 30 CCEDMP C=CC[NH+]1CCC[C@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001271988633 814665930 /nfs/dbraw/zinc/66/59/30/814665930.db2.gz WKHUFIITJPUXAA-HNNXBMFYSA-N 2 1 283.416 0.457 20 30 CCEDMP C=CC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)CCC)C1 ZINC001271988633 814665935 /nfs/dbraw/zinc/66/59/35/814665935.db2.gz WKHUFIITJPUXAA-HNNXBMFYSA-N 2 1 283.416 0.457 20 30 CCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+](C)CCC)C1 ZINC001271988633 814665936 /nfs/dbraw/zinc/66/59/36/814665936.db2.gz WKHUFIITJPUXAA-HNNXBMFYSA-N 2 1 283.416 0.457 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088572019 814923884 /nfs/dbraw/zinc/92/38/84/814923884.db2.gz VEJSNKUHPUKJMU-YUELXQCFSA-N 2 1 275.396 0.540 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001030346825 815988327 /nfs/dbraw/zinc/98/83/27/815988327.db2.gz FKUJCHPTNDSDMC-HUUCEWRRSA-N 2 1 293.411 0.616 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030346825 815988329 /nfs/dbraw/zinc/98/83/29/815988329.db2.gz FKUJCHPTNDSDMC-HUUCEWRRSA-N 2 1 293.411 0.616 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255347 816466010 /nfs/dbraw/zinc/46/60/10/816466010.db2.gz IVFXRFLFVHPRAW-ZIAGYGMSSA-N 2 1 263.385 0.590 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106322400 816739622 /nfs/dbraw/zinc/73/96/22/816739622.db2.gz NODVONGWDFUMGG-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106433505 816771857 /nfs/dbraw/zinc/77/18/57/816771857.db2.gz KPELZIRPHIFTKU-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106766704 816900858 /nfs/dbraw/zinc/90/08/58/816900858.db2.gz QNKKPJCRAXJVDT-HUUCEWRRSA-N 2 1 295.427 0.579 20 30 CCEDMP C#CCCC[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001236037542 817033318 /nfs/dbraw/zinc/03/33/18/817033318.db2.gz JFGARXSHXQWAGM-UKRRQHHQSA-N 2 1 264.369 0.874 20 30 CCEDMP CC#CCN1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031669486 817234316 /nfs/dbraw/zinc/23/43/16/817234316.db2.gz LJQLLKUIYFUQGY-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031669486 817234319 /nfs/dbraw/zinc/23/43/19/817234319.db2.gz LJQLLKUIYFUQGY-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031669486 817234321 /nfs/dbraw/zinc/23/43/21/817234321.db2.gz LJQLLKUIYFUQGY-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001031714949 817278878 /nfs/dbraw/zinc/27/88/78/817278878.db2.gz NMCFTQOPUCADPL-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001031714949 817278885 /nfs/dbraw/zinc/27/88/85/817278885.db2.gz NMCFTQOPUCADPL-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778860 817579996 /nfs/dbraw/zinc/57/99/96/817579996.db2.gz ZZMXLJWZVVKRBO-ZNMIVQPWSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778860 817580005 /nfs/dbraw/zinc/58/00/05/817580005.db2.gz ZZMXLJWZVVKRBO-ZNMIVQPWSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778860 817580010 /nfs/dbraw/zinc/58/00/10/817580010.db2.gz ZZMXLJWZVVKRBO-ZNMIVQPWSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001032197312 817693287 /nfs/dbraw/zinc/69/32/87/817693287.db2.gz IFZDZCKOACYIPM-AWEZNQCLSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001032197312 817693293 /nfs/dbraw/zinc/69/32/93/817693293.db2.gz IFZDZCKOACYIPM-AWEZNQCLSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212460725 818136004 /nfs/dbraw/zinc/13/60/04/818136004.db2.gz KUUGDDWSUKQNTL-MGPQQGTHSA-N 2 1 283.416 0.718 20 30 CCEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034525235 819227669 /nfs/dbraw/zinc/22/76/69/819227669.db2.gz KPMORJYWQRQCEL-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525235 819227674 /nfs/dbraw/zinc/22/76/74/819227674.db2.gz KPMORJYWQRQCEL-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525235 819227679 /nfs/dbraw/zinc/22/76/79/819227679.db2.gz KPMORJYWQRQCEL-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001034674438 819282287 /nfs/dbraw/zinc/28/22/87/819282287.db2.gz HFKNHHGVMBMCRY-KBUPBQIOSA-N 2 1 293.411 0.356 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001034674438 819282292 /nfs/dbraw/zinc/28/22/92/819282292.db2.gz HFKNHHGVMBMCRY-KBUPBQIOSA-N 2 1 293.411 0.356 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC)CCO1 ZINC001035402691 819508663 /nfs/dbraw/zinc/50/86/63/819508663.db2.gz NRWAVTQESPZQDY-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC)CCO1 ZINC001035402691 819508665 /nfs/dbraw/zinc/50/86/65/819508665.db2.gz NRWAVTQESPZQDY-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079527873 820415115 /nfs/dbraw/zinc/41/51/15/820415115.db2.gz ISVXLHUIADCTAN-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079527873 820415124 /nfs/dbraw/zinc/41/51/24/820415124.db2.gz ISVXLHUIADCTAN-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079527873 820415126 /nfs/dbraw/zinc/41/51/26/820415126.db2.gz ISVXLHUIADCTAN-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079527873 820415130 /nfs/dbraw/zinc/41/51/30/820415130.db2.gz ISVXLHUIADCTAN-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083024300 821112690 /nfs/dbraw/zinc/11/26/90/821112690.db2.gz JODHRQKVZLANQB-SOUVJXGZSA-N 2 1 291.395 0.016 20 30 CCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083024300 821112694 /nfs/dbraw/zinc/11/26/94/821112694.db2.gz JODHRQKVZLANQB-SOUVJXGZSA-N 2 1 291.395 0.016 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083024300 821112702 /nfs/dbraw/zinc/11/27/02/821112702.db2.gz JODHRQKVZLANQB-SOUVJXGZSA-N 2 1 291.395 0.016 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083024300 821112709 /nfs/dbraw/zinc/11/27/09/821112709.db2.gz JODHRQKVZLANQB-SOUVJXGZSA-N 2 1 291.395 0.016 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 ZINC001084686942 821351429 /nfs/dbraw/zinc/35/14/29/821351429.db2.gz CWFUTTJSOAWOLB-TZMCWYRMSA-N 2 1 272.352 0.508 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084832336 821405912 /nfs/dbraw/zinc/40/59/12/821405912.db2.gz ATEWXSZERNWATH-ZIAGYGMSSA-N 2 1 263.385 0.801 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001085274489 821645745 /nfs/dbraw/zinc/64/57/45/821645745.db2.gz HPAMVVPFGSFPGR-ZIAGYGMSSA-N 2 1 274.368 0.842 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001085332640 821662923 /nfs/dbraw/zinc/66/29/23/821662923.db2.gz HCYWULMJVAIOFE-RBSFLKMASA-N 2 1 277.412 0.978 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973708 821677324 /nfs/dbraw/zinc/67/73/24/821677324.db2.gz HPLJGRMXSLMXMH-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598759 821842847 /nfs/dbraw/zinc/84/28/47/821842847.db2.gz ZOCZIWNOPJHXOH-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598759 821842853 /nfs/dbraw/zinc/84/28/53/821842853.db2.gz ZOCZIWNOPJHXOH-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927679 822020376 /nfs/dbraw/zinc/02/03/76/822020376.db2.gz DOUUBBKRDKUBLP-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001086109759 822117151 /nfs/dbraw/zinc/11/71/51/822117151.db2.gz CQPPPMVGHBZPLM-XHSDSOJGSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001086109759 822117153 /nfs/dbraw/zinc/11/71/53/822117153.db2.gz CQPPPMVGHBZPLM-XHSDSOJGSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001086457246 822264380 /nfs/dbraw/zinc/26/43/80/822264380.db2.gz PLKDDYXSFYFEQN-AJNGGQMLSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129423823 837503237 /nfs/dbraw/zinc/50/32/37/837503237.db2.gz XLOFPBUEMOWKMX-CQSZACIVSA-N 2 1 263.385 0.732 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130187064 837716669 /nfs/dbraw/zinc/71/66/69/837716669.db2.gz OECRUOLAAAXXAA-CABCVRRESA-N 2 1 293.411 0.359 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130188327 837717295 /nfs/dbraw/zinc/71/72/95/837717295.db2.gz BUUFMCRBVFZMRB-HUUCEWRRSA-N 2 1 295.427 0.912 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183647753 844054903 /nfs/dbraw/zinc/05/49/03/844054903.db2.gz KDLOOZMOCGWSNS-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001108394071 836002160 /nfs/dbraw/zinc/00/21/60/836002160.db2.gz CXATWDPLYNHWJM-GOEBONIOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108394071 836002170 /nfs/dbraw/zinc/00/21/70/836002170.db2.gz CXATWDPLYNHWJM-GOEBONIOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394071 836002178 /nfs/dbraw/zinc/00/21/78/836002178.db2.gz CXATWDPLYNHWJM-GOEBONIOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394071 836002190 /nfs/dbraw/zinc/00/21/90/836002190.db2.gz CXATWDPLYNHWJM-GOEBONIOSA-N 2 1 293.411 0.169 20 30 CCEDMP N#CCc1cc(-n2cncc2C[C@@H]([NH3+])CO)cc[nH+]1 ZINC001169075787 836131059 /nfs/dbraw/zinc/13/10/59/836131059.db2.gz XWNJHYASSZADCJ-SNVBAGLBSA-N 2 1 257.297 0.195 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129339128 836390202 /nfs/dbraw/zinc/39/02/02/836390202.db2.gz FXWXJAHTWSYPNX-CYBMUJFWSA-N 2 1 253.390 0.856 20 30 CCEDMP CC#CC[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132423587 838389034 /nfs/dbraw/zinc/38/90/34/838389034.db2.gz ARULLNSKOLGTNB-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001132996858 838533879 /nfs/dbraw/zinc/53/38/79/838533879.db2.gz BILKRDLOCGPRQR-ZDUSSCGKSA-N 2 1 274.368 0.483 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133872933 838763051 /nfs/dbraw/zinc/76/30/51/838763051.db2.gz HTTJJHPSYNHOIL-CYBMUJFWSA-N 2 1 274.368 0.483 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135093829 839164011 /nfs/dbraw/zinc/16/40/11/839164011.db2.gz STHKLBBXDGQMAO-CHWSQXEVSA-N 2 1 251.374 0.895 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543729 840264262 /nfs/dbraw/zinc/26/42/62/840264262.db2.gz ODLAGGNSYXRLCL-VYDXJSESSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091543729 840264268 /nfs/dbraw/zinc/26/42/68/840264268.db2.gz ODLAGGNSYXRLCL-VYDXJSESSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091543729 840264271 /nfs/dbraw/zinc/26/42/71/840264271.db2.gz ODLAGGNSYXRLCL-VYDXJSESSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148160397 840752505 /nfs/dbraw/zinc/75/25/05/840752505.db2.gz HHZJXEIJRCLRAU-UHFFFAOYSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148578442 840850369 /nfs/dbraw/zinc/85/03/69/840850369.db2.gz SXKBKKUZOFUNCO-ZDUSSCGKSA-N 2 1 298.431 0.115 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001148839924 840895784 /nfs/dbraw/zinc/89/57/84/840895784.db2.gz VCRCEKUEDSJCLP-UHFFFAOYSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148839924 840895790 /nfs/dbraw/zinc/89/57/90/840895790.db2.gz VCRCEKUEDSJCLP-UHFFFAOYSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148839924 840895797 /nfs/dbraw/zinc/89/57/97/840895797.db2.gz VCRCEKUEDSJCLP-UHFFFAOYSA-N 2 1 263.385 0.494 20 30 CCEDMP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588524 842115120 /nfs/dbraw/zinc/11/51/20/842115120.db2.gz GANZWOQTOXQKRH-ZBOXLXRLSA-N 2 1 253.346 0.796 20 30 CCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001150334640 842171390 /nfs/dbraw/zinc/17/13/90/842171390.db2.gz YWAASLMVIDVSNZ-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150334640 842171396 /nfs/dbraw/zinc/17/13/96/842171396.db2.gz YWAASLMVIDVSNZ-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150334640 842171399 /nfs/dbraw/zinc/17/13/99/842171399.db2.gz YWAASLMVIDVSNZ-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001180136131 843103815 /nfs/dbraw/zinc/10/38/15/843103815.db2.gz RBOWMQSPYVDOLK-JSGCOSHPSA-N 2 1 274.368 0.794 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001183268255 843997063 /nfs/dbraw/zinc/99/70/63/843997063.db2.gz QVLUGBMQFIZQOT-KGLIPLIRSA-N 2 1 286.379 0.974 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187843229 844779028 /nfs/dbraw/zinc/77/90/28/844779028.db2.gz YNSDTOGISFLNJD-CYBMUJFWSA-N 2 1 260.341 0.405 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970000 845012125 /nfs/dbraw/zinc/01/21/25/845012125.db2.gz DGFVRCHJMMGUQI-LSDHHAIUSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189898578 845283278 /nfs/dbraw/zinc/28/32/78/845283278.db2.gz NLSYSCKXUOCXPJ-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189898578 845283284 /nfs/dbraw/zinc/28/32/84/845283284.db2.gz NLSYSCKXUOCXPJ-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCOC)C1 ZINC001190726036 845479562 /nfs/dbraw/zinc/47/95/62/845479562.db2.gz USRXMBGFJDXJCF-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCOC)C1 ZINC001190726036 845479565 /nfs/dbraw/zinc/47/95/65/845479565.db2.gz USRXMBGFJDXJCF-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCOC)C1 ZINC001190726036 845479569 /nfs/dbraw/zinc/47/95/69/845479569.db2.gz USRXMBGFJDXJCF-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCOC)C1 ZINC001190726036 845479574 /nfs/dbraw/zinc/47/95/74/845479574.db2.gz USRXMBGFJDXJCF-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCOC)C1 ZINC001190726036 845479578 /nfs/dbraw/zinc/47/95/78/845479578.db2.gz USRXMBGFJDXJCF-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193640949 846133999 /nfs/dbraw/zinc/13/39/99/846133999.db2.gz GPPSRLPEFUZDAX-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193640949 846134001 /nfs/dbraw/zinc/13/40/01/846134001.db2.gz GPPSRLPEFUZDAX-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193640949 846134003 /nfs/dbraw/zinc/13/40/03/846134003.db2.gz GPPSRLPEFUZDAX-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP COCC#CCN1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001198097771 847041695 /nfs/dbraw/zinc/04/16/95/847041695.db2.gz HDLHMHNXBBPOJS-OAHLLOKOSA-N 2 1 293.411 0.122 20 30 CCEDMP COCC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097771 847041713 /nfs/dbraw/zinc/04/17/13/847041713.db2.gz HDLHMHNXBBPOJS-OAHLLOKOSA-N 2 1 293.411 0.122 20 30 CCEDMP COCC#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097771 847041724 /nfs/dbraw/zinc/04/17/24/847041724.db2.gz HDLHMHNXBBPOJS-OAHLLOKOSA-N 2 1 293.411 0.122 20 30 CCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001198097771 847041731 /nfs/dbraw/zinc/04/17/31/847041731.db2.gz HDLHMHNXBBPOJS-OAHLLOKOSA-N 2 1 293.411 0.122 20 30 CCEDMP COCC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001198097771 847041740 /nfs/dbraw/zinc/04/17/40/847041740.db2.gz HDLHMHNXBBPOJS-OAHLLOKOSA-N 2 1 293.411 0.122 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201405083 847775974 /nfs/dbraw/zinc/77/59/74/847775974.db2.gz ZZFLBGHQYDCFFU-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114462991 848074829 /nfs/dbraw/zinc/07/48/29/848074829.db2.gz CCOWGMBAPCQSTQ-RQJABVFESA-N 2 1 263.385 0.396 20 30 CCEDMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](CCCC#N)C2)OCC1=O ZINC001274039985 848315667 /nfs/dbraw/zinc/31/56/67/848315667.db2.gz POXHHOVIGBJFAH-HNNXBMFYSA-N 2 1 294.399 0.155 20 30 CCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)Cn1c[nH+]cc1C ZINC001274202027 848372993 /nfs/dbraw/zinc/37/29/93/848372993.db2.gz KKHGSKNAKJLTJA-ARJAWSKDSA-N 2 1 290.367 0.103 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC#CCOC)C1 ZINC001274280962 848438515 /nfs/dbraw/zinc/43/85/15/848438515.db2.gz QFGCJVGPEJDXTG-CABCVRRESA-N 2 1 295.427 0.415 20 30 CCEDMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001275144247 848650322 /nfs/dbraw/zinc/65/03/22/848650322.db2.gz WJNUNALWCKLOIV-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001275144247 848650325 /nfs/dbraw/zinc/65/03/25/848650325.db2.gz WJNUNALWCKLOIV-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001275144247 848650331 /nfs/dbraw/zinc/65/03/31/848650331.db2.gz WJNUNALWCKLOIV-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001275720707 848800215 /nfs/dbraw/zinc/80/02/15/848800215.db2.gz LORIILDPRYJQRI-QWHCGFSZSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001275720707 848800219 /nfs/dbraw/zinc/80/02/19/848800219.db2.gz LORIILDPRYJQRI-QWHCGFSZSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001275720707 848800223 /nfs/dbraw/zinc/80/02/23/848800223.db2.gz LORIILDPRYJQRI-QWHCGFSZSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CC[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001275911637 848864402 /nfs/dbraw/zinc/86/44/02/848864402.db2.gz DVLJPSDFRFXIGD-GFCCVEGCSA-N 2 1 253.390 0.951 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001276013759 848891938 /nfs/dbraw/zinc/89/19/38/848891938.db2.gz ZMVFRLSXRYRQCX-ZDUSSCGKSA-N 2 1 253.390 0.786 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001276013759 848891941 /nfs/dbraw/zinc/89/19/41/848891941.db2.gz ZMVFRLSXRYRQCX-ZDUSSCGKSA-N 2 1 253.390 0.786 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750118 849386004 /nfs/dbraw/zinc/38/60/04/849386004.db2.gz AWNXFPLYGIHXFX-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039028870 850127708 /nfs/dbraw/zinc/12/77/08/850127708.db2.gz RYGXZOJKARTQNQ-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028870 850127719 /nfs/dbraw/zinc/12/77/19/850127719.db2.gz RYGXZOJKARTQNQ-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028870 850127728 /nfs/dbraw/zinc/12/77/28/850127728.db2.gz RYGXZOJKARTQNQ-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001042732538 850747202 /nfs/dbraw/zinc/74/72/02/850747202.db2.gz YIWSQEGMJGLIGB-OAHLLOKOSA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045640468 851293275 /nfs/dbraw/zinc/29/32/75/851293275.db2.gz SQNQVKBBOKWYRH-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046830830 851624782 /nfs/dbraw/zinc/62/47/82/851624782.db2.gz BSIVAXGHPKDTII-HIFRSBDPSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046830830 851624785 /nfs/dbraw/zinc/62/47/85/851624785.db2.gz BSIVAXGHPKDTII-HIFRSBDPSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046830830 851624792 /nfs/dbraw/zinc/62/47/92/851624792.db2.gz BSIVAXGHPKDTII-HIFRSBDPSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829281 852076173 /nfs/dbraw/zinc/07/61/73/852076173.db2.gz KTXJTVWJGCHUPH-LVQVYYBASA-N 2 1 289.423 0.740 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829281 852076178 /nfs/dbraw/zinc/07/61/78/852076178.db2.gz KTXJTVWJGCHUPH-LVQVYYBASA-N 2 1 289.423 0.740 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829281 852076182 /nfs/dbraw/zinc/07/61/82/852076182.db2.gz KTXJTVWJGCHUPH-LVQVYYBASA-N 2 1 289.423 0.740 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824114 852076750 /nfs/dbraw/zinc/07/67/50/852076750.db2.gz UHOZEAUHZHUBNC-OWCLPIDISA-N 2 1 287.407 0.352 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001048870360 852089151 /nfs/dbraw/zinc/08/91/51/852089151.db2.gz ZKOSWRSNSOABBN-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC)C[C@@H]2C1 ZINC001048870360 852089152 /nfs/dbraw/zinc/08/91/52/852089152.db2.gz ZKOSWRSNSOABBN-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001048870360 852089153 /nfs/dbraw/zinc/08/91/53/852089153.db2.gz ZKOSWRSNSOABBN-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001048870360 852089156 /nfs/dbraw/zinc/08/91/56/852089156.db2.gz ZKOSWRSNSOABBN-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596820 852319220 /nfs/dbraw/zinc/31/92/20/852319220.db2.gz WMHUKCZUJHZKMK-LSDHHAIUSA-N 2 1 286.379 0.890 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596820 852319229 /nfs/dbraw/zinc/31/92/29/852319229.db2.gz WMHUKCZUJHZKMK-LSDHHAIUSA-N 2 1 286.379 0.890 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052275482 853721226 /nfs/dbraw/zinc/72/12/26/853721226.db2.gz MMMAYPLMHYUTMH-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052275482 853721229 /nfs/dbraw/zinc/72/12/29/853721229.db2.gz MMMAYPLMHYUTMH-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052275482 853721235 /nfs/dbraw/zinc/72/12/35/853721235.db2.gz MMMAYPLMHYUTMH-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052275482 853721238 /nfs/dbraw/zinc/72/12/38/853721238.db2.gz MMMAYPLMHYUTMH-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072552561 854413883 /nfs/dbraw/zinc/41/38/83/854413883.db2.gz QRXNAYKSYSZBQV-CYBMUJFWSA-N 2 1 263.385 0.801 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072552561 854413882 /nfs/dbraw/zinc/41/38/82/854413882.db2.gz QRXNAYKSYSZBQV-CYBMUJFWSA-N 2 1 263.385 0.801 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072552561 854413886 /nfs/dbraw/zinc/41/38/86/854413886.db2.gz QRXNAYKSYSZBQV-CYBMUJFWSA-N 2 1 263.385 0.801 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072955547 854501792 /nfs/dbraw/zinc/50/17/92/854501792.db2.gz OOPWHQSLUQJFGQ-CQSZACIVSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073129870 854536650 /nfs/dbraw/zinc/53/66/50/854536650.db2.gz GCCKHVVJFHEREP-UHFFFAOYSA-N 2 1 287.407 0.640 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073886580 854660111 /nfs/dbraw/zinc/66/01/11/854660111.db2.gz RSXNJRYUNGAPRF-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886580 854660117 /nfs/dbraw/zinc/66/01/17/854660117.db2.gz RSXNJRYUNGAPRF-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886580 854660121 /nfs/dbraw/zinc/66/01/21/854660121.db2.gz RSXNJRYUNGAPRF-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001075111420 854813371 /nfs/dbraw/zinc/81/33/71/854813371.db2.gz HUUIDJDLZBOXRO-KKUMJFAQSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001098214474 854852334 /nfs/dbraw/zinc/85/23/34/854852334.db2.gz KBAUPXZBCQKICM-TUVASFSCSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001098214474 854852338 /nfs/dbraw/zinc/85/23/38/854852338.db2.gz KBAUPXZBCQKICM-TUVASFSCSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001098214474 854852341 /nfs/dbraw/zinc/85/23/41/854852341.db2.gz KBAUPXZBCQKICM-TUVASFSCSA-N 2 1 275.396 0.683 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099898831 855023669 /nfs/dbraw/zinc/02/36/69/855023669.db2.gz INQWLCAZEBXSGG-QWHCGFSZSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898831 855023673 /nfs/dbraw/zinc/02/36/73/855023673.db2.gz INQWLCAZEBXSGG-QWHCGFSZSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898831 855023678 /nfs/dbraw/zinc/02/36/78/855023678.db2.gz INQWLCAZEBXSGG-QWHCGFSZSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100079960 855093741 /nfs/dbraw/zinc/09/37/41/855093741.db2.gz BFBFZUZHUUIZPZ-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100079960 855093749 /nfs/dbraw/zinc/09/37/49/855093749.db2.gz BFBFZUZHUUIZPZ-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100079960 855093758 /nfs/dbraw/zinc/09/37/58/855093758.db2.gz BFBFZUZHUUIZPZ-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351170 855285531 /nfs/dbraw/zinc/28/55/31/855285531.db2.gz WARYAXJJVSOOAC-HIFRSBDPSA-N 2 1 265.401 0.904 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938103 855607129 /nfs/dbraw/zinc/60/71/29/855607129.db2.gz LHANINZQDZGTMM-HOCLYGCPSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115292573 855658579 /nfs/dbraw/zinc/65/85/79/855658579.db2.gz QMBYQLMCWPRXGJ-QLPKVWCKSA-N 2 1 289.423 0.932 20 30 CCEDMP C[NH+]1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001116460062 855770921 /nfs/dbraw/zinc/77/09/21/855770921.db2.gz XFZSTDFQUIVASW-YPKPFQOOSA-N 2 1 278.356 0.197 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)CCN1CCOCC1 ZINC001323320973 912263218 /nfs/dbraw/zinc/26/32/18/912263218.db2.gz YETBWYHDNGCCML-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001323320973 912263233 /nfs/dbraw/zinc/26/32/33/912263233.db2.gz YETBWYHDNGCCML-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001323320973 912263252 /nfs/dbraw/zinc/26/32/52/912263252.db2.gz YETBWYHDNGCCML-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001325866794 913618367 /nfs/dbraw/zinc/61/83/67/913618367.db2.gz ZXAHGSBCRGKMCS-INIZCTEOSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CC[NH+]1CCC[C@](CO)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001325866794 913618377 /nfs/dbraw/zinc/61/83/77/913618377.db2.gz ZXAHGSBCRGKMCS-INIZCTEOSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001325866794 913618386 /nfs/dbraw/zinc/61/83/86/913618386.db2.gz ZXAHGSBCRGKMCS-INIZCTEOSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001325866794 913618391 /nfs/dbraw/zinc/61/83/91/913618391.db2.gz ZXAHGSBCRGKMCS-INIZCTEOSA-N 2 1 295.427 0.295 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001481000320 892041402 /nfs/dbraw/zinc/04/14/02/892041402.db2.gz VIAUVPJVOMIPQX-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001481000320 892041418 /nfs/dbraw/zinc/04/14/18/892041418.db2.gz VIAUVPJVOMIPQX-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[NH+](CC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001481000320 892041436 /nfs/dbraw/zinc/04/14/36/892041436.db2.gz VIAUVPJVOMIPQX-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001481062078 892123923 /nfs/dbraw/zinc/12/39/23/892123923.db2.gz ILAVNHUFNZHHKP-CQSZACIVSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001501617645 893957980 /nfs/dbraw/zinc/95/79/80/893957980.db2.gz BXIFKEDBOSVECB-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001482773826 894592469 /nfs/dbraw/zinc/59/24/69/894592469.db2.gz FUBVGFYDMBHZPL-HUUCEWRRSA-N 2 1 297.443 0.892 20 30 CCEDMP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483215950 895121809 /nfs/dbraw/zinc/12/18/09/895121809.db2.gz WQISMCXJZNNVKO-QWHCGFSZSA-N 2 1 269.389 0.378 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483348255 895485598 /nfs/dbraw/zinc/48/55/98/895485598.db2.gz WBDHZPQFHNCHEK-LBPRGKRZSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCCF)C1 ZINC001485094002 896775902 /nfs/dbraw/zinc/77/59/02/896775902.db2.gz NTMQOLQHGCNGMQ-NRXISQOPSA-N 2 1 295.402 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCCF)C1 ZINC001485094002 896775911 /nfs/dbraw/zinc/77/59/11/896775911.db2.gz NTMQOLQHGCNGMQ-NRXISQOPSA-N 2 1 295.402 0.928 20 30 CCEDMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001485689831 897171604 /nfs/dbraw/zinc/17/16/04/897171604.db2.gz XRJGRKCMWAHZRR-HDJSIYSDSA-N 2 1 274.368 0.699 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032453235 897585793 /nfs/dbraw/zinc/58/57/93/897585793.db2.gz RPCMMQLDCPAKTR-KKUMJFAQSA-N 2 1 293.386 0.729 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCCF ZINC001032453235 897585806 /nfs/dbraw/zinc/58/58/06/897585806.db2.gz RPCMMQLDCPAKTR-KKUMJFAQSA-N 2 1 293.386 0.729 20 30 CCEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)CCC ZINC001485832302 897831113 /nfs/dbraw/zinc/83/11/13/897831113.db2.gz MUCYYHHUTPOMLD-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032730704 898027926 /nfs/dbraw/zinc/02/79/26/898027926.db2.gz NNVSRIZXQOVXEA-RDBSUJKOSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001032730704 898027934 /nfs/dbraw/zinc/02/79/34/898027934.db2.gz NNVSRIZXQOVXEA-RDBSUJKOSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032730704 898027943 /nfs/dbraw/zinc/02/79/43/898027943.db2.gz NNVSRIZXQOVXEA-RDBSUJKOSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032730704 898027954 /nfs/dbraw/zinc/02/79/54/898027954.db2.gz NNVSRIZXQOVXEA-RDBSUJKOSA-N 2 1 263.385 0.799 20 30 CCEDMP CC#CC[N@H+](CC)CCCNC(=O)CC[NH+]1CCOCC1 ZINC001490353568 900609071 /nfs/dbraw/zinc/60/90/71/900609071.db2.gz UCZOCLHUTARZKH-UHFFFAOYSA-N 2 1 295.427 0.560 20 30 CCEDMP CC#CC[N@@H+](CC)CCCNC(=O)CC[NH+]1CCOCC1 ZINC001490353568 900609077 /nfs/dbraw/zinc/60/90/77/900609077.db2.gz UCZOCLHUTARZKH-UHFFFAOYSA-N 2 1 295.427 0.560 20 30 CCEDMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001490741599 900713917 /nfs/dbraw/zinc/71/39/17/900713917.db2.gz WKNASSZYNHWKJW-UONOGXRCSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491118349 903379228 /nfs/dbraw/zinc/37/92/28/903379228.db2.gz OVMMETCUNFJWRK-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001491178893 903423039 /nfs/dbraw/zinc/42/30/39/903423039.db2.gz HKWNKUSHJREADW-GJZGRUSLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001281147739 904230728 /nfs/dbraw/zinc/23/07/28/904230728.db2.gz TUKGBWLAEQJGPA-ZBFHGGJFSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CCC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001281800396 904351143 /nfs/dbraw/zinc/35/11/43/904351143.db2.gz XFQFZMMMEPXRIX-CQSZACIVSA-N 2 1 293.411 0.047 20 30 CCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001284446973 905302020 /nfs/dbraw/zinc/30/20/20/905302020.db2.gz BZWPNRXNPRYNRZ-AWEZNQCLSA-N 2 1 297.443 0.397 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001491856938 907608773 /nfs/dbraw/zinc/60/87/73/907608773.db2.gz VYZSMMNLTRGWQY-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001491856938 907608781 /nfs/dbraw/zinc/60/87/81/907608781.db2.gz VYZSMMNLTRGWQY-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001491856936 907609409 /nfs/dbraw/zinc/60/94/09/907609409.db2.gz VYZSMMNLTRGWQY-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001491856936 907609415 /nfs/dbraw/zinc/60/94/15/907609415.db2.gz VYZSMMNLTRGWQY-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001328280230 908659903 /nfs/dbraw/zinc/65/99/03/908659903.db2.gz SABNIHKZSHCXMP-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317478561 909248697 /nfs/dbraw/zinc/24/86/97/909248697.db2.gz PCIXNUIIZHNDGK-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001317503413 909273577 /nfs/dbraw/zinc/27/35/77/909273577.db2.gz YNLBHTLSERXNAU-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001318374810 909728149 /nfs/dbraw/zinc/72/81/49/909728149.db2.gz WLBZJMKKRYJSLT-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001318374810 909728162 /nfs/dbraw/zinc/72/81/62/909728162.db2.gz WLBZJMKKRYJSLT-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001318374810 909728170 /nfs/dbraw/zinc/72/81/70/909728170.db2.gz WLBZJMKKRYJSLT-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001318374810 909728179 /nfs/dbraw/zinc/72/81/79/909728179.db2.gz WLBZJMKKRYJSLT-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001318603032 909831579 /nfs/dbraw/zinc/83/15/79/909831579.db2.gz NIJUSQWTVDATNU-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001318603032 909831598 /nfs/dbraw/zinc/83/15/98/909831598.db2.gz NIJUSQWTVDATNU-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319999541 910407209 /nfs/dbraw/zinc/40/72/09/910407209.db2.gz IIRAMSGDJYYBMZ-HNNXBMFYSA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001320109618 910468268 /nfs/dbraw/zinc/46/82/68/910468268.db2.gz DHFMDBPHFUZGOK-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCF ZINC001321098455 911084372 /nfs/dbraw/zinc/08/43/72/911084372.db2.gz WJDJLRIBCWOPEW-SCOBNMCVSA-N 2 1 267.348 0.316 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCF ZINC001321098455 911084387 /nfs/dbraw/zinc/08/43/87/911084387.db2.gz WJDJLRIBCWOPEW-SCOBNMCVSA-N 2 1 267.348 0.316 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CC1 ZINC001322175399 911694272 /nfs/dbraw/zinc/69/42/72/911694272.db2.gz KXXZHMQIFXBUTQ-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CC1 ZINC001322175399 911694281 /nfs/dbraw/zinc/69/42/81/911694281.db2.gz KXXZHMQIFXBUTQ-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CC1 ZINC001322175399 911694296 /nfs/dbraw/zinc/69/42/96/911694296.db2.gz KXXZHMQIFXBUTQ-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CC1 ZINC001322175399 911694306 /nfs/dbraw/zinc/69/43/06/911694306.db2.gz KXXZHMQIFXBUTQ-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CC1 ZINC001322175399 911694319 /nfs/dbraw/zinc/69/43/19/911694319.db2.gz KXXZHMQIFXBUTQ-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)CCc1cncn1C ZINC001329610248 916059388 /nfs/dbraw/zinc/05/93/88/916059388.db2.gz SDBYKWQVCJAWKN-CYBMUJFWSA-N 2 1 276.384 0.813 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC001332289120 918027166 /nfs/dbraw/zinc/02/71/66/918027166.db2.gz YXWAXMRGTKIQNA-HNNXBMFYSA-N 2 1 298.427 0.519 20 30 CCEDMP COCC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001333042679 918618473 /nfs/dbraw/zinc/61/84/73/918618473.db2.gz KELBCNWNDRQSFT-NRXISQOPSA-N 2 1 293.411 0.309 20 30 CCEDMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC001335395652 920167068 /nfs/dbraw/zinc/16/70/68/920167068.db2.gz XHQBPPHQWNRHPS-KGLIPLIRSA-N 2 1 268.405 0.124 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC001340852740 922246293 /nfs/dbraw/zinc/24/62/93/922246293.db2.gz ISVIIALEXGQWMM-CHWSQXEVSA-N 2 1 269.389 0.507 20 30 CCEDMP C#CC[NH2+]CC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC001340906877 922267684 /nfs/dbraw/zinc/26/76/84/922267684.db2.gz NRPOPSLRCHZYQU-LLVKDONJSA-N 2 1 258.325 0.059 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC001341569239 922556302 /nfs/dbraw/zinc/55/63/02/922556302.db2.gz LJYKKXOLJBTYJE-CQSZACIVSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CC[NH2+]CC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001342321402 922911893 /nfs/dbraw/zinc/91/18/93/922911893.db2.gz UTBMVCHLBISHSE-UHFFFAOYSA-N 2 1 259.309 0.330 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC001353632594 925891869 /nfs/dbraw/zinc/89/18/69/925891869.db2.gz CZOBCVCFHFJPCV-SOUVJXGZSA-N 2 1 292.427 0.581 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001353632594 925891874 /nfs/dbraw/zinc/89/18/74/925891874.db2.gz CZOBCVCFHFJPCV-SOUVJXGZSA-N 2 1 292.427 0.581 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001353632594 925891883 /nfs/dbraw/zinc/89/18/83/925891883.db2.gz CZOBCVCFHFJPCV-SOUVJXGZSA-N 2 1 292.427 0.581 20 30 CCEDMP Cc1cccc(NCCNC(=O)C#CC2CC[NH2+]CC2)[nH+]1 ZINC001354073122 926005406 /nfs/dbraw/zinc/00/54/06/926005406.db2.gz GTWGTPVOAWUHKX-UHFFFAOYSA-N 2 1 286.379 0.921 20 30 CCEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC001448874527 931013619 /nfs/dbraw/zinc/01/36/19/931013619.db2.gz RIXQEVUIYWFWLD-UKRRQHHQSA-N 2 1 283.416 0.408 20 30 CCEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001448874527 931013627 /nfs/dbraw/zinc/01/36/27/931013627.db2.gz RIXQEVUIYWFWLD-UKRRQHHQSA-N 2 1 283.416 0.408 20 30 CCEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001448874527 931013637 /nfs/dbraw/zinc/01/36/37/931013637.db2.gz RIXQEVUIYWFWLD-UKRRQHHQSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C[C@@](C)(O)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507054 365664038 /nfs/dbraw/zinc/66/40/38/365664038.db2.gz GOPOHMZVCGTZBU-DZGCQCFKSA-N 2 1 285.432 0.702 20 30 CCEDMP C=C[C@@](C)(O)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507054 365664039 /nfs/dbraw/zinc/66/40/39/365664039.db2.gz GOPOHMZVCGTZBU-DZGCQCFKSA-N 2 1 285.432 0.702 20 30 CCEDMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000602877843 362857566 /nfs/dbraw/zinc/85/75/66/362857566.db2.gz SNHGIXPKFHWUON-DZGCQCFKSA-N 2 1 281.400 0.430 20 30 CCEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000602877843 362857569 /nfs/dbraw/zinc/85/75/69/362857569.db2.gz SNHGIXPKFHWUON-DZGCQCFKSA-N 2 1 281.400 0.430 20 30 CCEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000402131763 357808661 /nfs/dbraw/zinc/80/86/61/357808661.db2.gz FDAPPRFTXJBWQU-ZNMIVQPWSA-N 2 1 287.363 0.449 20 30 CCEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000402131763 357808663 /nfs/dbraw/zinc/80/86/63/357808663.db2.gz FDAPPRFTXJBWQU-ZNMIVQPWSA-N 2 1 287.363 0.449 20 30 CCEDMP C[N@H+](C[C@@H](O)C[NH2+]C1CCN(CC#N)CC1)C1CC1 ZINC000591736934 359651085 /nfs/dbraw/zinc/65/10/85/359651085.db2.gz ZHXPFRAKBTXMAQ-AWEZNQCLSA-N 2 1 266.389 0.019 20 30 CCEDMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCN(CC#N)CC1)C1CC1 ZINC000591736934 359651089 /nfs/dbraw/zinc/65/10/89/359651089.db2.gz ZHXPFRAKBTXMAQ-AWEZNQCLSA-N 2 1 266.389 0.019 20 30 CCEDMP Cc1ccc(NCC[N@@H+](C)CCC[NH+](C)C)nc1C#N ZINC000596424290 360889506 /nfs/dbraw/zinc/88/95/06/360889506.db2.gz GLOOBVJSKQVTKT-UHFFFAOYSA-N 2 1 275.400 0.979 20 30 CCEDMP Cc1ccc(NCC[N@H+](C)CCC[NH+](C)C)nc1C#N ZINC000596424290 360889509 /nfs/dbraw/zinc/88/95/09/360889509.db2.gz GLOOBVJSKQVTKT-UHFFFAOYSA-N 2 1 275.400 0.979 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1OC ZINC000104164478 389079801 /nfs/dbraw/zinc/07/98/01/389079801.db2.gz YWLQGOXKOMQNGP-ZDUSSCGKSA-N 2 1 291.399 0.979 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnn1C ZINC000104172002 389080334 /nfs/dbraw/zinc/08/03/34/389080334.db2.gz MVNJGUMCALLVKC-LBPRGKRZSA-N 2 1 264.377 0.309 20 30 CCEDMP CN(C(=[NH2+])NCCN1CCC[N@@H+](C)CC1)C1CC1 ZINC000305802835 389088669 /nfs/dbraw/zinc/08/86/69/389088669.db2.gz FDVBZVLFEAJCKZ-UHFFFAOYSA-N 2 1 253.394 0.033 20 30 CCEDMP N#C[C@@H]1CC[C@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000328723650 389134484 /nfs/dbraw/zinc/13/44/84/389134484.db2.gz AOMZSVOXQZYDIE-CABCVRRESA-N 2 1 293.411 0.838 20 30 CCEDMP CC#CCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339752572 389138728 /nfs/dbraw/zinc/13/87/28/389138728.db2.gz LFDLWXICAQWBMN-OAHLLOKOSA-N 2 1 295.427 0.415 20 30 CCEDMP CC#CCN(C)CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000339752572 389138730 /nfs/dbraw/zinc/13/87/30/389138730.db2.gz LFDLWXICAQWBMN-OAHLLOKOSA-N 2 1 295.427 0.415 20 30 CCEDMP C[NH+]=C(NC[C@@H](C)[NH+](C)C)N(C)Cc1ccon1 ZINC000261725251 389275246 /nfs/dbraw/zinc/27/52/46/389275246.db2.gz IVTIKEREUJPGJS-SNVBAGLBSA-N 2 1 253.350 0.632 20 30 CCEDMP CN1CC[NH+]=C1NCc1ccccc1C[NH+]1CCOCC1 ZINC000262680322 389293596 /nfs/dbraw/zinc/29/35/96/389293596.db2.gz VTANREMCAYSLHA-UHFFFAOYSA-N 2 1 288.395 0.910 20 30 CCEDMP CNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000264075534 389304901 /nfs/dbraw/zinc/30/49/01/389304901.db2.gz FNDZVIDZTDKNGY-OAHLLOKOSA-N 2 1 289.427 0.899 20 30 CCEDMP CNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000264075534 389304902 /nfs/dbraw/zinc/30/49/02/389304902.db2.gz FNDZVIDZTDKNGY-OAHLLOKOSA-N 2 1 289.427 0.899 20 30 CCEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])NC)cc2)CC1 ZINC000264110407 389307176 /nfs/dbraw/zinc/30/71/76/389307176.db2.gz QPIMKBQLUSNOCH-UHFFFAOYSA-N 2 1 289.427 0.858 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)C[C@H]1CCOC1)C[C@@H]1CCOC1 ZINC000351473740 389585349 /nfs/dbraw/zinc/58/53/49/389585349.db2.gz WKIBELLGFZYQSD-IYBDPMFKSA-N 2 1 280.412 0.926 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)C[C@@H]1CCOC1)C[C@H]1CCOC1 ZINC000351473740 389585351 /nfs/dbraw/zinc/58/53/51/389585351.db2.gz WKIBELLGFZYQSD-IYBDPMFKSA-N 2 1 280.412 0.926 20 30 CCEDMP C[NH+](CC#CC[N@@H+](C)C[C@@H]1CCOC1)C[C@H]1CCOC1 ZINC000351473740 389585355 /nfs/dbraw/zinc/58/53/55/389585355.db2.gz WKIBELLGFZYQSD-IYBDPMFKSA-N 2 1 280.412 0.926 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351853576 389699530 /nfs/dbraw/zinc/69/95/30/389699530.db2.gz PCLIIDRFDKRJLR-DCAQKATOSA-N 2 1 268.361 0.056 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351853576 389699533 /nfs/dbraw/zinc/69/95/33/389699533.db2.gz PCLIIDRFDKRJLR-DCAQKATOSA-N 2 1 268.361 0.056 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000420295306 389979660 /nfs/dbraw/zinc/97/96/60/389979660.db2.gz VFGCUPKBAVXIAT-XQQFMLRXSA-N 2 1 251.374 0.833 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000420295306 389979662 /nfs/dbraw/zinc/97/96/62/389979662.db2.gz VFGCUPKBAVXIAT-XQQFMLRXSA-N 2 1 251.374 0.833 20 30 CCEDMP C=CC[C@@]1(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CCC[NH2+]1 ZINC000662759934 414770222 /nfs/dbraw/zinc/77/02/22/414770222.db2.gz UNUNYNBFHQJWRI-ZFWWWQNUSA-N 2 1 280.416 0.047 20 30 CCEDMP C=C(C)CNC(=[NH2+])NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000104191963 260621101 /nfs/dbraw/zinc/62/11/01/260621101.db2.gz LWBAWOWZDOZQKW-ZDUSSCGKSA-N 2 1 295.431 0.410 20 30 CCEDMP COCCNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000161478123 261247333 /nfs/dbraw/zinc/24/73/33/261247333.db2.gz IEOMAHVKZZBODS-LBPRGKRZSA-N 2 1 280.372 0.967 20 30 CCEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@H]2CO)[C@H]1CO ZINC000342140920 263391166 /nfs/dbraw/zinc/39/11/66/263391166.db2.gz YPJTYIKAYQNQCO-SYMSYNOKSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@H]2CO)[C@H]1CO ZINC000342140920 263391169 /nfs/dbraw/zinc/39/11/69/263391169.db2.gz YPJTYIKAYQNQCO-SYMSYNOKSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@H]2CO)[C@H]1CO ZINC000342140920 263391171 /nfs/dbraw/zinc/39/11/71/263391171.db2.gz YPJTYIKAYQNQCO-SYMSYNOKSA-N 2 1 280.412 0.395 20 30 CCEDMP C[NH+]=C(NCc1ccnn1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261943721 328143301 /nfs/dbraw/zinc/14/33/01/328143301.db2.gz FDIMQQAGLQPAQC-BXUZGUMPSA-N 2 1 290.415 0.568 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000534579977 328311255 /nfs/dbraw/zinc/31/12/55/328311255.db2.gz JZCJGBWNKXHRRP-NWDGAFQWSA-N 2 1 262.357 0.900 20 30 CCEDMP C=CCNC(=O)[C@H](C)N1CC[C@@H](c2nccn2C)C1 ZINC000534579977 328311257 /nfs/dbraw/zinc/31/12/57/328311257.db2.gz JZCJGBWNKXHRRP-NWDGAFQWSA-N 2 1 262.357 0.900 20 30 CCEDMP C[N@H+]1CCN(CCNC(=[NH2+])NC(C)(C)C)CC1(C)C ZINC000262821931 330034151 /nfs/dbraw/zinc/03/41/51/330034151.db2.gz YONSLRQZAQYTRY-UHFFFAOYSA-N 2 1 269.437 0.715 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000424134817 330267906 /nfs/dbraw/zinc/26/79/06/330267906.db2.gz NXNUKAYJURQVDT-XQQFMLRXSA-N 2 1 264.373 0.751 20 30 CCEDMP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1C ZINC000424138664 330276837 /nfs/dbraw/zinc/27/68/37/330276837.db2.gz DNTBFEZYUCBARA-OLZOCXBDSA-N 2 1 282.388 0.187 20 30 CCEDMP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1C ZINC000424138664 330276838 /nfs/dbraw/zinc/27/68/38/330276838.db2.gz DNTBFEZYUCBARA-OLZOCXBDSA-N 2 1 282.388 0.187 20 30 CCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424141599 330283298 /nfs/dbraw/zinc/28/32/98/330283298.db2.gz GQWDAMQXAHYJGJ-KGYLQXTDSA-N 2 1 264.373 0.606 20 30 CCEDMP C#CC[N@@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000490850157 332120260 /nfs/dbraw/zinc/12/02/60/332120260.db2.gz AGRICAKQLBBMPH-UHFFFAOYSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000490850157 332120262 /nfs/dbraw/zinc/12/02/62/332120262.db2.gz AGRICAKQLBBMPH-UHFFFAOYSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000490897870 332126842 /nfs/dbraw/zinc/12/68/42/332126842.db2.gz GHGQNBRKSVXRPP-KBPBESRZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#C[C@H](CC)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000491230515 332170410 /nfs/dbraw/zinc/17/04/10/332170410.db2.gz NFWDGJUQHJWSOE-CQSZACIVSA-N 2 1 273.384 0.730 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+](C)C1CC1 ZINC000491535169 332231247 /nfs/dbraw/zinc/23/12/47/332231247.db2.gz AMUSCJSDWHMENO-UHFFFAOYSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+](C)C1CC1 ZINC000491535169 332231248 /nfs/dbraw/zinc/23/12/48/332231248.db2.gz AMUSCJSDWHMENO-UHFFFAOYSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000491535169 332231250 /nfs/dbraw/zinc/23/12/50/332231250.db2.gz AMUSCJSDWHMENO-UHFFFAOYSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CCNC(=O)CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000491544419 332234303 /nfs/dbraw/zinc/23/43/03/332234303.db2.gz LHGXCRYITRFJPT-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000491544419 332234305 /nfs/dbraw/zinc/23/43/05/332234305.db2.gz LHGXCRYITRFJPT-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000491554236 332236584 /nfs/dbraw/zinc/23/65/84/332236584.db2.gz HJBJBISKYKKIGA-CYBMUJFWSA-N 2 1 280.416 0.710 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC000491645931 332263486 /nfs/dbraw/zinc/26/34/86/332263486.db2.gz QTFWJCRQNOWILC-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000491645931 332263487 /nfs/dbraw/zinc/26/34/87/332263487.db2.gz QTFWJCRQNOWILC-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000491645931 332263488 /nfs/dbraw/zinc/26/34/88/332263488.db2.gz QTFWJCRQNOWILC-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000491673326 332279622 /nfs/dbraw/zinc/27/96/22/332279622.db2.gz PZTDWBXABLRGNU-AWEZNQCLSA-N 2 1 282.432 0.971 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000491714314 332304942 /nfs/dbraw/zinc/30/49/42/332304942.db2.gz MHSDMXQZRSCAAK-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000491729918 332311978 /nfs/dbraw/zinc/31/19/78/332311978.db2.gz IWJDANQMXYEZDV-CHWSQXEVSA-N 2 1 266.389 0.381 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000491775363 332341133 /nfs/dbraw/zinc/34/11/33/332341133.db2.gz FDEKNGBPTPJFTH-UHFFFAOYSA-N 2 1 266.389 0.383 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000491783876 332347430 /nfs/dbraw/zinc/34/74/30/332347430.db2.gz PTEXBRCLQNODJT-INIZCTEOSA-N 2 1 292.427 0.727 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000491809286 332362332 /nfs/dbraw/zinc/36/23/32/332362332.db2.gz XHKKOQKSCOZXLV-CQSZACIVSA-N 2 1 280.416 0.630 20 30 CCEDMP C=C[C@@H](O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668618099 545184210 /nfs/dbraw/zinc/18/42/10/545184210.db2.gz OBNGEBMVHKKXBO-UONOGXRCSA-N 2 1 281.400 0.160 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)C[C@H](O)C1CC1)C[C@H](O)C1CC1 ZINC000671241805 545244635 /nfs/dbraw/zinc/24/46/35/545244635.db2.gz DVEMZEZWVATHHZ-HOTGVXAUSA-N 2 1 280.412 0.395 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000792561903 581265662 /nfs/dbraw/zinc/26/56/62/581265662.db2.gz MTHFGZWJKUAOHX-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000792561903 581265664 /nfs/dbraw/zinc/26/56/64/581265664.db2.gz MTHFGZWJKUAOHX-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC000729976683 581626611 /nfs/dbraw/zinc/62/66/11/581626611.db2.gz DBLMWBBUHBYTMY-UHFFFAOYSA-N 2 1 281.400 0.475 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000730098435 581645301 /nfs/dbraw/zinc/64/53/01/581645301.db2.gz DBFQTJWUNNSCEK-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000730098435 581645305 /nfs/dbraw/zinc/64/53/05/581645305.db2.gz DBFQTJWUNNSCEK-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C(C)C)C1 ZINC000730098435 581645310 /nfs/dbraw/zinc/64/53/10/581645310.db2.gz DBFQTJWUNNSCEK-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C(C)C)C1 ZINC000730098435 581645313 /nfs/dbraw/zinc/64/53/13/581645313.db2.gz DBFQTJWUNNSCEK-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCCOC ZINC000741726035 581760758 /nfs/dbraw/zinc/76/07/58/581760758.db2.gz CVVVEHBPMTZGOT-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCCOC ZINC000741726035 581760760 /nfs/dbraw/zinc/76/07/60/581760760.db2.gz CVVVEHBPMTZGOT-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCCOC ZINC000741726035 581760763 /nfs/dbraw/zinc/76/07/63/581760763.db2.gz CVVVEHBPMTZGOT-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCCOC ZINC000741726035 581760766 /nfs/dbraw/zinc/76/07/66/581760766.db2.gz CVVVEHBPMTZGOT-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000764509832 582054179 /nfs/dbraw/zinc/05/41/79/582054179.db2.gz WCGCXTMYARRDIO-AWEZNQCLSA-N 2 1 296.459 0.494 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831194224 613076941 /nfs/dbraw/zinc/07/69/41/613076941.db2.gz XPYNVVPWAHRNMC-ZDUSSCGKSA-N 2 1 278.400 0.383 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000894863358 613079035 /nfs/dbraw/zinc/07/90/35/613079035.db2.gz AGICSPCLUWHYOG-UONOGXRCSA-N 2 1 254.374 0.583 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000894863358 613079037 /nfs/dbraw/zinc/07/90/37/613079037.db2.gz AGICSPCLUWHYOG-UONOGXRCSA-N 2 1 254.374 0.583 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000963626372 612954771 /nfs/dbraw/zinc/95/47/71/612954771.db2.gz XZACLHJAGBVVDG-SWAPUOLTSA-N 2 1 275.396 0.731 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000969738905 612963715 /nfs/dbraw/zinc/96/37/15/612963715.db2.gz XTUUBNFZYWFBRC-UONOGXRCSA-N 2 1 286.379 0.578 20 30 CCEDMP C#CCOCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000849017921 612984978 /nfs/dbraw/zinc/98/49/78/612984978.db2.gz NLYITNUKRWATKC-LBPRGKRZSA-N 2 1 252.362 0.234 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000960278220 613044426 /nfs/dbraw/zinc/04/44/26/613044426.db2.gz GMOQEYAPIXZYHT-CTASWTNQSA-N 2 1 298.390 0.830 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000960278220 613044427 /nfs/dbraw/zinc/04/44/27/613044427.db2.gz GMOQEYAPIXZYHT-CTASWTNQSA-N 2 1 298.390 0.830 20 30 CCEDMP C#CCN(C(=O)NCC[N@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000918171532 613067045 /nfs/dbraw/zinc/06/70/45/613067045.db2.gz QWXQKHCLJOWXMG-UHFFFAOYSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000868653632 613074522 /nfs/dbraw/zinc/07/45/22/613074522.db2.gz ZCQFXNHBHXRUAR-CABCVRRESA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868653632 613074524 /nfs/dbraw/zinc/07/45/24/613074524.db2.gz ZCQFXNHBHXRUAR-CABCVRRESA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868653632 613074526 /nfs/dbraw/zinc/07/45/26/613074526.db2.gz ZCQFXNHBHXRUAR-CABCVRRESA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000836487200 613076696 /nfs/dbraw/zinc/07/66/96/613076696.db2.gz AMDDWHINZFPREN-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000836487200 613076698 /nfs/dbraw/zinc/07/66/98/613076698.db2.gz AMDDWHINZFPREN-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000836487200 613076700 /nfs/dbraw/zinc/07/67/00/613076700.db2.gz AMDDWHINZFPREN-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734881 613089158 /nfs/dbraw/zinc/08/91/58/613089158.db2.gz GRNXSUHQJPSNKK-ZDUSSCGKSA-N 2 1 261.369 0.248 20 30 CCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000982012732 613142073 /nfs/dbraw/zinc/14/20/73/613142073.db2.gz FXHJVWFOTIXYNO-HUUCEWRRSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982012732 613142075 /nfs/dbraw/zinc/14/20/75/613142075.db2.gz FXHJVWFOTIXYNO-HUUCEWRRSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982012732 613142076 /nfs/dbraw/zinc/14/20/76/613142076.db2.gz FXHJVWFOTIXYNO-HUUCEWRRSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000923553499 613171903 /nfs/dbraw/zinc/17/19/03/613171903.db2.gz JXHXTGYTHYZXDE-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000923553499 613171905 /nfs/dbraw/zinc/17/19/05/613171905.db2.gz JXHXTGYTHYZXDE-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000923553499 613171906 /nfs/dbraw/zinc/17/19/06/613171906.db2.gz JXHXTGYTHYZXDE-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000923553499 613171908 /nfs/dbraw/zinc/17/19/08/613171908.db2.gz JXHXTGYTHYZXDE-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(C)C)C1 ZINC000968956439 613197198 /nfs/dbraw/zinc/19/71/98/613197198.db2.gz LRGFIWXGPUONSL-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(C)C)C1 ZINC000968956439 613197199 /nfs/dbraw/zinc/19/71/99/613197199.db2.gz LRGFIWXGPUONSL-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974998962 613296857 /nfs/dbraw/zinc/29/68/57/613296857.db2.gz XACWGEGGTCBJME-AWEZNQCLSA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000900912664 613364808 /nfs/dbraw/zinc/36/48/08/613364808.db2.gz NNYFCWKGSCMUSF-GFCCVEGCSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000844024631 613366267 /nfs/dbraw/zinc/36/62/67/613366267.db2.gz OVTULGSQGTZVFG-OKILXGFUSA-N 2 1 283.416 0.672 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979070122 613381560 /nfs/dbraw/zinc/38/15/60/613381560.db2.gz KXGCPYWXFIKDGQ-SYQHCUMBSA-N 2 1 297.830 0.985 20 30 CCEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979070122 613381561 /nfs/dbraw/zinc/38/15/61/613381561.db2.gz KXGCPYWXFIKDGQ-SYQHCUMBSA-N 2 1 297.830 0.985 20 30 CCEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979070122 613381562 /nfs/dbraw/zinc/38/15/62/613381562.db2.gz KXGCPYWXFIKDGQ-SYQHCUMBSA-N 2 1 297.830 0.985 20 30 CCEDMP C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000962553171 613382637 /nfs/dbraw/zinc/38/26/37/613382637.db2.gz LNBXYIQNYGVTII-WUHRBBMRSA-N 2 1 283.803 0.737 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962553171 613382638 /nfs/dbraw/zinc/38/26/38/613382638.db2.gz LNBXYIQNYGVTII-WUHRBBMRSA-N 2 1 283.803 0.737 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000962553171 613382639 /nfs/dbraw/zinc/38/26/39/613382639.db2.gz LNBXYIQNYGVTII-WUHRBBMRSA-N 2 1 283.803 0.737 20 30 CCEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962553171 613382640 /nfs/dbraw/zinc/38/26/40/613382640.db2.gz LNBXYIQNYGVTII-WUHRBBMRSA-N 2 1 283.803 0.737 20 30 CCEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962553171 613382641 /nfs/dbraw/zinc/38/26/41/613382641.db2.gz LNBXYIQNYGVTII-WUHRBBMRSA-N 2 1 283.803 0.737 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000876747160 613388163 /nfs/dbraw/zinc/38/81/63/613388163.db2.gz XLAMATADECKNQL-ZYHUDNBSSA-N 2 1 289.807 0.541 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000876772953 613389853 /nfs/dbraw/zinc/38/98/53/613389853.db2.gz JWEIXPQFOXAYMR-KOLCDFICSA-N 2 1 259.781 0.914 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000977901930 613560306 /nfs/dbraw/zinc/56/03/06/613560306.db2.gz AGKJRTSTGOCJFJ-XQLPTFJDSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977901930 613560308 /nfs/dbraw/zinc/56/03/08/613560308.db2.gz AGKJRTSTGOCJFJ-XQLPTFJDSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977901930 613560312 /nfs/dbraw/zinc/56/03/12/613560312.db2.gz AGKJRTSTGOCJFJ-XQLPTFJDSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000961765696 613562894 /nfs/dbraw/zinc/56/28/94/613562894.db2.gz RUSORPDYAUYBAF-NYTXWWLZSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000961765696 613562896 /nfs/dbraw/zinc/56/28/96/613562896.db2.gz RUSORPDYAUYBAF-NYTXWWLZSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000961765696 613562898 /nfs/dbraw/zinc/56/28/98/613562898.db2.gz RUSORPDYAUYBAF-NYTXWWLZSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283161 613591244 /nfs/dbraw/zinc/59/12/44/613591244.db2.gz SJUWPSSFGMTJSX-CABCVRRESA-N 2 1 295.427 0.457 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC000960599179 613635424 /nfs/dbraw/zinc/63/54/24/613635424.db2.gz ZMEOVGVVBMAJBH-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000960599179 613635428 /nfs/dbraw/zinc/63/54/28/613635428.db2.gz ZMEOVGVVBMAJBH-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000960599179 613635431 /nfs/dbraw/zinc/63/54/31/613635431.db2.gz ZMEOVGVVBMAJBH-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326384 613670240 /nfs/dbraw/zinc/67/02/40/613670240.db2.gz RCPXCMPJEOGRIZ-DZGCQCFKSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326384 613670242 /nfs/dbraw/zinc/67/02/42/613670242.db2.gz RCPXCMPJEOGRIZ-DZGCQCFKSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923493234 613778509 /nfs/dbraw/zinc/77/85/09/613778509.db2.gz FXLWVVOLYURFMA-AGIUHOORSA-N 2 1 251.374 0.690 20 30 CCEDMP CC(C)(C#N)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849017174 614285774 /nfs/dbraw/zinc/28/57/74/614285774.db2.gz IWSSJCJEIJCTAN-UHFFFAOYSA-N 2 1 267.377 0.372 20 30 CCEDMP CC(C)[N@H+]1CCCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852894588 614332288 /nfs/dbraw/zinc/33/22/88/614332288.db2.gz RPUUZUVGJCUSEA-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884176322 615145514 /nfs/dbraw/zinc/14/55/14/615145514.db2.gz CENYDMQELWYASJ-WJEHIRDRSA-N 2 1 290.411 0.726 20 30 CCEDMP CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000852866146 615760218 /nfs/dbraw/zinc/76/02/18/615760218.db2.gz SRSOMHSYXLVEFM-OAHLLOKOSA-N 2 1 275.396 0.685 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000913523548 615860400 /nfs/dbraw/zinc/86/04/00/615860400.db2.gz DVQWTPPCPRQWJD-GFCCVEGCSA-N 2 1 251.374 0.540 20 30 CCEDMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000878886293 616173021 /nfs/dbraw/zinc/17/30/21/616173021.db2.gz FHVFGZGNKWXBRE-CYBMUJFWSA-N 2 1 278.400 0.822 20 30 CCEDMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000878886293 616173022 /nfs/dbraw/zinc/17/30/22/616173022.db2.gz FHVFGZGNKWXBRE-CYBMUJFWSA-N 2 1 278.400 0.822 20 30 CCEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@H]21 ZINC000852887462 616197518 /nfs/dbraw/zinc/19/75/18/616197518.db2.gz AMGBOQDYIMHKQW-HZPDHXFCSA-N 2 1 289.423 0.932 20 30 CCEDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(C#N)o1)C2 ZINC000903494951 616801893 /nfs/dbraw/zinc/80/18/93/616801893.db2.gz RXZZXURJTLICBQ-RWSFTLGLSA-N 2 1 289.335 0.864 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001026148414 625343832 /nfs/dbraw/zinc/34/38/32/625343832.db2.gz HJOFBVJIAUGUPK-NPCUJANDSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372154 623017713 /nfs/dbraw/zinc/01/77/13/623017713.db2.gz OQORUFAASRPORP-GDBMZVCRSA-N 2 1 289.423 0.790 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598217 623842461 /nfs/dbraw/zinc/84/24/61/623842461.db2.gz WHNDEUWITHGAKV-LSDHHAIUSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022121221 624876329 /nfs/dbraw/zinc/87/63/29/624876329.db2.gz AMVCMXUCLYYNIJ-XJFOESAGSA-N 2 1 279.384 0.272 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680343 630849247 /nfs/dbraw/zinc/84/92/47/630849247.db2.gz DBEJZIMNPIZZDY-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680343 630849251 /nfs/dbraw/zinc/84/92/51/630849251.db2.gz DBEJZIMNPIZZDY-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680343 630849255 /nfs/dbraw/zinc/84/92/55/630849255.db2.gz DBEJZIMNPIZZDY-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261995599 631746102 /nfs/dbraw/zinc/74/61/02/631746102.db2.gz SHUBOGLTZUPYSY-TZMCWYRMSA-N 2 1 294.443 0.939 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000985432085 632479873 /nfs/dbraw/zinc/47/98/73/632479873.db2.gz CRABLWORRXIFQY-INIZCTEOSA-N 2 1 289.423 0.884 20 30 CCEDMP C=C(C)CNC(=[NH2+])NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000262821849 632749158 /nfs/dbraw/zinc/74/91/58/632749158.db2.gz YMUMYTZNJPINGK-UHFFFAOYSA-N 2 1 267.421 0.493 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000986458430 632759985 /nfs/dbraw/zinc/75/99/85/632759985.db2.gz ZYYYLBPKNZKEEV-YPMHNXCESA-N 2 1 290.367 0.562 20 30 CCEDMP C=CCN1CCCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC000989709265 633347230 /nfs/dbraw/zinc/34/72/30/633347230.db2.gz FUCOMHGGOWANMO-AWEZNQCLSA-N 2 1 281.400 0.427 20 30 CCEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC000989708494 633347250 /nfs/dbraw/zinc/34/72/50/633347250.db2.gz WFXGLWKUHNXBFX-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000989708494 633347253 /nfs/dbraw/zinc/34/72/53/633347253.db2.gz WFXGLWKUHNXBFX-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000989708494 633347257 /nfs/dbraw/zinc/34/72/57/633347257.db2.gz WFXGLWKUHNXBFX-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000989708494 633347261 /nfs/dbraw/zinc/34/72/61/633347261.db2.gz WFXGLWKUHNXBFX-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC000989708495 633347652 /nfs/dbraw/zinc/34/76/52/633347652.db2.gz WFXGLWKUHNXBFX-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000989708495 633347659 /nfs/dbraw/zinc/34/76/59/633347659.db2.gz WFXGLWKUHNXBFX-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000989708495 633347666 /nfs/dbraw/zinc/34/76/66/633347666.db2.gz WFXGLWKUHNXBFX-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000989708495 633347669 /nfs/dbraw/zinc/34/76/69/633347669.db2.gz WFXGLWKUHNXBFX-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)CCO3)CCC[C@@H]12 ZINC000990120914 633448714 /nfs/dbraw/zinc/44/87/14/633448714.db2.gz KXOTZLFQKCSEON-IIAWOOMASA-N 2 1 293.411 0.616 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008544105 650119168 /nfs/dbraw/zinc/11/91/68/650119168.db2.gz YIZLUNRPKDJDCS-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008544105 650119170 /nfs/dbraw/zinc/11/91/70/650119170.db2.gz YIZLUNRPKDJDCS-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001008544105 650119172 /nfs/dbraw/zinc/11/91/72/650119172.db2.gz YIZLUNRPKDJDCS-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001008544105 650119173 /nfs/dbraw/zinc/11/91/73/650119173.db2.gz YIZLUNRPKDJDCS-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC000996648366 638826464 /nfs/dbraw/zinc/82/64/64/638826464.db2.gz RMVXUKUIVKRDFG-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC000996648366 638826465 /nfs/dbraw/zinc/82/64/65/638826465.db2.gz RMVXUKUIVKRDFG-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997009151 638848410 /nfs/dbraw/zinc/84/84/10/638848410.db2.gz OZOWUFXXTZYTDG-TZMCWYRMSA-N 2 1 265.401 0.951 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014456124 650453194 /nfs/dbraw/zinc/45/31/94/650453194.db2.gz NIFCFUQVBQKHAS-GJZGRUSLSA-N 2 1 275.396 0.542 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998827133 638944686 /nfs/dbraw/zinc/94/46/86/638944686.db2.gz QOKHHZMYVHWTOA-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998827133 638944687 /nfs/dbraw/zinc/94/46/87/638944687.db2.gz QOKHHZMYVHWTOA-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923478668 640158761 /nfs/dbraw/zinc/15/87/61/640158761.db2.gz FZWZREAQJXBWFT-GJZGRUSLSA-N 2 1 289.379 0.969 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015607460 650591173 /nfs/dbraw/zinc/59/11/73/650591173.db2.gz KXSKWZKKPLCPFY-GJZGRUSLSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015607460 650591174 /nfs/dbraw/zinc/59/11/74/650591174.db2.gz KXSKWZKKPLCPFY-GJZGRUSLSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607460 650591177 /nfs/dbraw/zinc/59/11/77/650591177.db2.gz KXSKWZKKPLCPFY-GJZGRUSLSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607460 650591179 /nfs/dbraw/zinc/59/11/79/650591179.db2.gz KXSKWZKKPLCPFY-GJZGRUSLSA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655257 650602543 /nfs/dbraw/zinc/60/25/43/650602543.db2.gz MHTPREMISVBDRP-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015706614 650613734 /nfs/dbraw/zinc/61/37/34/650613734.db2.gz QYSBEYQYWZRPEC-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015706614 650613737 /nfs/dbraw/zinc/61/37/37/650613737.db2.gz QYSBEYQYWZRPEC-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001015706614 650613739 /nfs/dbraw/zinc/61/37/39/650613739.db2.gz QYSBEYQYWZRPEC-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015706614 650613743 /nfs/dbraw/zinc/61/37/43/650613743.db2.gz QYSBEYQYWZRPEC-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001016302079 650715321 /nfs/dbraw/zinc/71/53/21/650715321.db2.gz IXMMTKGRRHHYTK-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001016302079 650715323 /nfs/dbraw/zinc/71/53/23/650715323.db2.gz IXMMTKGRRHHYTK-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016302079 650715326 /nfs/dbraw/zinc/71/53/26/650715326.db2.gz IXMMTKGRRHHYTK-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016302079 650715327 /nfs/dbraw/zinc/71/53/27/650715327.db2.gz IXMMTKGRRHHYTK-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001016328465 650718470 /nfs/dbraw/zinc/71/84/70/650718470.db2.gz CRRDILMWXPNAKB-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001016534493 650742272 /nfs/dbraw/zinc/74/22/72/650742272.db2.gz AYNXXKOLDVNNMU-KGLIPLIRSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001016825308 650763703 /nfs/dbraw/zinc/76/37/03/650763703.db2.gz HNZDRKGTOUPVKY-LSDHHAIUSA-N 2 1 289.423 0.932 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000852881211 644040688 /nfs/dbraw/zinc/04/06/88/644040688.db2.gz SMOANJBIZRZQJE-LLVKDONJSA-N 2 1 271.311 0.055 20 30 CCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C#CC1CC1 ZINC000855345960 644308400 /nfs/dbraw/zinc/30/84/00/644308400.db2.gz LDIHYMZDBRGYAV-ZDUSSCGKSA-N 2 1 265.401 0.788 20 30 CCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C#CC1CC1 ZINC000855345960 644308407 /nfs/dbraw/zinc/30/84/07/644308407.db2.gz LDIHYMZDBRGYAV-ZDUSSCGKSA-N 2 1 265.401 0.788 20 30 CCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](C3CC3)CC1)C2 ZINC000884185218 647661597 /nfs/dbraw/zinc/66/15/97/647661597.db2.gz OPOCQTJSSXFUEY-MFOWVQHXSA-N 2 1 288.395 0.432 20 30 CCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000884202354 647667648 /nfs/dbraw/zinc/66/76/48/647667648.db2.gz WZJVYDHIDQFMEC-LGESCRJUSA-N 2 1 288.395 0.479 20 30 CCEDMP CCCNC(=[NH2+])NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303779625 649825223 /nfs/dbraw/zinc/82/52/23/649825223.db2.gz KSEUXABOCFEYIB-GFCCVEGCSA-N 2 1 256.394 0.658 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](CC)C1 ZINC000303881393 649826186 /nfs/dbraw/zinc/82/61/86/649826186.db2.gz HRVLHEPHFQCTKJ-GFCCVEGCSA-N 2 1 256.394 0.659 20 30 CCEDMP C[C@@H]1C[N@H+](CCCNC(=[NH2+])NC2CC2)C[C@H](C)O1 ZINC000303255106 649813383 /nfs/dbraw/zinc/81/33/83/649813383.db2.gz FYBXVZMBXKMAPZ-PHIMTYICSA-N 2 1 254.378 0.552 20 30 CCEDMP C[NH+]=C(NCc1ccco1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000303398363 649818336 /nfs/dbraw/zinc/81/83/36/649818336.db2.gz JIKRKVDPLAIWJX-GXTWGEPZSA-N 2 1 292.383 0.808 20 30 CCEDMP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000303408241 649819287 /nfs/dbraw/zinc/81/92/87/649819287.db2.gz TUHHXXNHAVDTTI-CMPLNLGQSA-N 2 1 254.378 0.552 20 30 CCEDMP CCCNC(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303990919 649827946 /nfs/dbraw/zinc/82/79/46/649827946.db2.gz ZAXXKBUPWOTCJZ-LBPRGKRZSA-N 2 1 283.420 0.243 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304763895 649838798 /nfs/dbraw/zinc/83/87/98/649838798.db2.gz XJKBNWACKQXHOK-ZDUSSCGKSA-N 2 1 286.420 0.286 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCO[C@H]1CCOC1 ZINC000305015468 649840588 /nfs/dbraw/zinc/84/05/88/649840588.db2.gz LUNZYHYXKXCEOP-KGLIPLIRSA-N 2 1 298.431 0.571 20 30 CCEDMP C=CC[NH+]1CCN(c2ncnc3c2CC[NH2+]CC3)CC1 ZINC001165033154 721863393 /nfs/dbraw/zinc/86/33/93/721863393.db2.gz FDYPNFOKFWEFHM-UHFFFAOYSA-N 2 1 273.384 0.473 20 30 CCEDMP C=CC[NH+]1CCN(c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001165031490 721867776 /nfs/dbraw/zinc/86/77/76/721867776.db2.gz LVZDSCJXRSFCMP-UHFFFAOYSA-N 2 1 288.399 0.194 20 30 CCEDMP C=CC[N@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001266274823 790379704 /nfs/dbraw/zinc/37/97/04/790379704.db2.gz CGEQUFUXZAUKMP-UHFFFAOYSA-N 2 1 279.388 0.292 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001266523316 790865464 /nfs/dbraw/zinc/86/54/64/790865464.db2.gz LGPDXDWIMVZJRK-ZDUSSCGKSA-N 2 1 260.341 0.263 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001266523316 790865476 /nfs/dbraw/zinc/86/54/76/790865476.db2.gz LGPDXDWIMVZJRK-ZDUSSCGKSA-N 2 1 260.341 0.263 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210492958 790896279 /nfs/dbraw/zinc/89/62/79/790896279.db2.gz GKIWSGHRQWLUHO-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001266577776 790956934 /nfs/dbraw/zinc/95/69/34/790956934.db2.gz YVWQBMANVXPCRX-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001266577776 790956938 /nfs/dbraw/zinc/95/69/38/790956938.db2.gz YVWQBMANVXPCRX-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001266577776 790956941 /nfs/dbraw/zinc/95/69/41/790956941.db2.gz YVWQBMANVXPCRX-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001231253972 805761927 /nfs/dbraw/zinc/76/19/27/805761927.db2.gz DDJVOFBRTFORIY-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001231253979 805762495 /nfs/dbraw/zinc/76/24/95/805762495.db2.gz DDJVOFBRTFORIY-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001267034291 791465358 /nfs/dbraw/zinc/46/53/58/791465358.db2.gz GQIVYKJFXAJAEY-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001267034291 791465363 /nfs/dbraw/zinc/46/53/63/791465363.db2.gz GQIVYKJFXAJAEY-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001267113219 791554570 /nfs/dbraw/zinc/55/45/70/791554570.db2.gz GTQSJPULRGJCNW-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001267113219 791554574 /nfs/dbraw/zinc/55/45/74/791554574.db2.gz GTQSJPULRGJCNW-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001267113219 791554588 /nfs/dbraw/zinc/55/45/88/791554588.db2.gz GTQSJPULRGJCNW-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP N#Cc1ccc(F)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1F ZINC001234990239 806334350 /nfs/dbraw/zinc/33/43/50/806334350.db2.gz RQYQLHPVIJOVJQ-OAHLLOKOSA-N 2 1 292.333 0.974 20 30 CCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001278106438 806676383 /nfs/dbraw/zinc/67/63/83/806676383.db2.gz ZEFOPEIBTFVLHV-LSDHHAIUSA-N 2 1 295.427 0.197 20 30 CCEDMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC#CCOC ZINC001161227269 800214829 /nfs/dbraw/zinc/21/48/29/800214829.db2.gz VVHHBJQURWMWBW-UHFFFAOYSA-N 2 1 283.416 0.462 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194651 800322639 /nfs/dbraw/zinc/32/26/39/800322639.db2.gz VAWTVTRIMSHVRJ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001150318845 800330100 /nfs/dbraw/zinc/33/01/00/800330100.db2.gz VDBIKUARNVVDDZ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001150318845 800330103 /nfs/dbraw/zinc/33/01/03/800330103.db2.gz VDBIKUARNVVDDZ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001150318845 800330108 /nfs/dbraw/zinc/33/01/08/800330108.db2.gz VDBIKUARNVVDDZ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001159846708 801880252 /nfs/dbraw/zinc/88/02/52/801880252.db2.gz RQCSEJARHBREKU-CQSZACIVSA-N 2 1 265.401 0.693 20 30 CCEDMP COc1cc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)ncc1C#N ZINC001160509562 801953385 /nfs/dbraw/zinc/95/33/85/801953385.db2.gz WBWUWOGLZRTOOH-OAHLLOKOSA-N 2 1 287.367 0.797 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001165270763 802809898 /nfs/dbraw/zinc/80/98/98/802809898.db2.gz GWTCLNMVRIHOSJ-CQSZACIVSA-N 2 1 288.395 0.873 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001166706789 802943886 /nfs/dbraw/zinc/94/38/86/802943886.db2.gz ADBAFRSMHXWBOO-AWEZNQCLSA-N 2 1 288.395 0.873 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001166751776 802956563 /nfs/dbraw/zinc/95/65/63/802956563.db2.gz WECGYCCMMWTMPX-UHFFFAOYSA-N 2 1 287.407 0.890 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203932865 803054778 /nfs/dbraw/zinc/05/47/78/803054778.db2.gz PQWCATHBLUFDIV-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204875673 803107868 /nfs/dbraw/zinc/10/78/68/803107868.db2.gz AEFSVOSFHOCWIE-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204875673 803107871 /nfs/dbraw/zinc/10/78/71/803107871.db2.gz AEFSVOSFHOCWIE-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101350986 814219969 /nfs/dbraw/zinc/21/99/69/814219969.db2.gz NVLTUUFPFSCCOC-HIFRSBDPSA-N 2 1 263.385 0.352 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315054 803647811 /nfs/dbraw/zinc/64/78/11/803647811.db2.gz KLBSVHBIMCBKGF-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213455969 803694814 /nfs/dbraw/zinc/69/48/14/803694814.db2.gz XHWPALGVYAMPQP-FRRDWIJNSA-N 2 1 269.389 0.328 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213455969 803694817 /nfs/dbraw/zinc/69/48/17/803694817.db2.gz XHWPALGVYAMPQP-FRRDWIJNSA-N 2 1 269.389 0.328 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598665 803697927 /nfs/dbraw/zinc/69/79/27/803697927.db2.gz KFCKSGRWTNSWKL-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598665 803697931 /nfs/dbraw/zinc/69/79/31/803697931.db2.gz KFCKSGRWTNSWKL-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001276705571 803704222 /nfs/dbraw/zinc/70/42/22/803704222.db2.gz ZBAHGTXOQIGHQJ-QWHCGFSZSA-N 2 1 251.374 0.609 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540977 803819007 /nfs/dbraw/zinc/81/90/07/803819007.db2.gz TWMCNCLEEVEGNJ-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026580 814980261 /nfs/dbraw/zinc/98/02/61/814980261.db2.gz PVTUMSXXINXENA-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026580 814980267 /nfs/dbraw/zinc/98/02/67/814980267.db2.gz PVTUMSXXINXENA-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212026580 814980271 /nfs/dbraw/zinc/98/02/71/814980271.db2.gz PVTUMSXXINXENA-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212026580 814980278 /nfs/dbraw/zinc/98/02/78/814980278.db2.gz PVTUMSXXINXENA-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218553638 804002574 /nfs/dbraw/zinc/00/25/74/804002574.db2.gz RAGAEPYNXMODBU-ZDUSSCGKSA-N 2 1 274.349 0.555 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830215 804429785 /nfs/dbraw/zinc/42/97/85/804429785.db2.gz RNQZLYSUBCERDA-ZNMIVQPWSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830215 804429791 /nfs/dbraw/zinc/42/97/91/804429791.db2.gz RNQZLYSUBCERDA-ZNMIVQPWSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830215 804429797 /nfs/dbraw/zinc/42/97/97/804429797.db2.gz RNQZLYSUBCERDA-ZNMIVQPWSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830215 804429801 /nfs/dbraw/zinc/42/98/01/804429801.db2.gz RNQZLYSUBCERDA-ZNMIVQPWSA-N 2 1 293.411 0.045 20 30 CCEDMP CC(C)[NH+]1CC(NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001220160280 804522520 /nfs/dbraw/zinc/52/25/20/804522520.db2.gz WRBYPJORSRGJOX-HNNXBMFYSA-N 2 1 286.379 0.637 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227590 804543825 /nfs/dbraw/zinc/54/38/25/804543825.db2.gz VWFFCHYQVXNNJH-OLZOCXBDSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)CN1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220817406 804672591 /nfs/dbraw/zinc/67/25/91/804672591.db2.gz VMBVTRUEMVIKLC-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220817406 804672598 /nfs/dbraw/zinc/67/25/98/804672598.db2.gz VMBVTRUEMVIKLC-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220817406 804672603 /nfs/dbraw/zinc/67/26/03/804672603.db2.gz VMBVTRUEMVIKLC-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220817406 804672613 /nfs/dbraw/zinc/67/26/13/804672613.db2.gz VMBVTRUEMVIKLC-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220868372 804685729 /nfs/dbraw/zinc/68/57/29/804685729.db2.gz HMJOJFINOKNJAR-ZQDZILKHSA-N 2 1 293.411 0.520 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001221406789 804798413 /nfs/dbraw/zinc/79/84/13/804798413.db2.gz IKLIORMLIFHRGY-SCRDCRAPSA-N 2 1 251.374 0.572 20 30 CCEDMP C#CCCC1(CCNC(=O)C[NH2+]C2CC[NH2+]CC2)N=N1 ZINC001221411371 804811626 /nfs/dbraw/zinc/81/16/26/804811626.db2.gz YMVNLZJMPSMVMK-UHFFFAOYSA-N 2 1 277.372 0.410 20 30 CCEDMP C=CCC[N@H+](C)CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001272171583 815037124 /nfs/dbraw/zinc/03/71/24/815037124.db2.gz AFYQPJSRCGCQLC-HNNXBMFYSA-N 2 1 297.443 0.921 20 30 CCEDMP C=CCn1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cn1 ZINC001222090400 804865691 /nfs/dbraw/zinc/86/56/91/804865691.db2.gz ACZMWHNMTRCGSG-UHFFFAOYSA-N 2 1 275.400 0.597 20 30 CCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001277074857 805163588 /nfs/dbraw/zinc/16/35/88/805163588.db2.gz NOPNQMVORVQZIM-JOCQHMNTSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001229860452 805560869 /nfs/dbraw/zinc/56/08/69/805560869.db2.gz TUIUVGAHOMZXSA-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246017581 807117580 /nfs/dbraw/zinc/11/75/80/807117580.db2.gz BNYDWFIMIIXFGE-WDEREUQCSA-N 2 1 264.316 0.466 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246017581 807117585 /nfs/dbraw/zinc/11/75/85/807117585.db2.gz BNYDWFIMIIXFGE-WDEREUQCSA-N 2 1 264.316 0.466 20 30 CCEDMP C=C[C@@](C)(O)C[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246046008 807131406 /nfs/dbraw/zinc/13/14/06/807131406.db2.gz MLRHBHVHTMZCFC-BPLDGKMQSA-N 2 1 282.384 0.398 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472371 815143208 /nfs/dbraw/zinc/14/32/08/815143208.db2.gz UOSLAXXOLYFJJZ-SYQHCUMBSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001252472233 807883998 /nfs/dbraw/zinc/88/39/98/807883998.db2.gz QFXSVVVRYMSBAY-MJBXVCDLSA-N 2 1 254.374 0.433 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001252472233 807884006 /nfs/dbraw/zinc/88/40/06/807884006.db2.gz QFXSVVVRYMSBAY-MJBXVCDLSA-N 2 1 254.374 0.433 20 30 CCEDMP C=CCOC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001252472233 807884012 /nfs/dbraw/zinc/88/40/12/807884012.db2.gz QFXSVVVRYMSBAY-MJBXVCDLSA-N 2 1 254.374 0.433 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001278872153 808402661 /nfs/dbraw/zinc/40/26/61/808402661.db2.gz AQUWZGZUICLBNU-CQSZACIVSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001278872153 808402666 /nfs/dbraw/zinc/40/26/66/808402666.db2.gz AQUWZGZUICLBNU-CQSZACIVSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC001262567989 809346355 /nfs/dbraw/zinc/34/63/55/809346355.db2.gz JCUWEOVIZRPEAD-INIZCTEOSA-N 2 1 292.427 0.270 20 30 CCEDMP C[N@@H+]1CC=C(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC001262566898 809347498 /nfs/dbraw/zinc/34/74/98/809347498.db2.gz DDBBWMIZFXIQNL-HNNXBMFYSA-N 2 1 293.411 0.909 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001263995749 809619324 /nfs/dbraw/zinc/61/93/24/809619324.db2.gz KLMNEHYBXINOBJ-YNEHKIRRSA-N 2 1 251.374 0.561 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001264055877 809627403 /nfs/dbraw/zinc/62/74/03/809627403.db2.gz RNMOQFVCECZMQS-BFHYXJOUSA-N 2 1 265.401 0.929 20 30 CCEDMP C=CCC[NH+]1CCN(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001265266320 809736194 /nfs/dbraw/zinc/73/61/94/809736194.db2.gz IRCWYDBDRPLTNW-UHFFFAOYSA-N 2 1 296.459 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001265289999 809748121 /nfs/dbraw/zinc/74/81/21/809748121.db2.gz HEQUAJRRUSSECS-AWEZNQCLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001265289999 809748124 /nfs/dbraw/zinc/74/81/24/809748124.db2.gz HEQUAJRRUSSECS-AWEZNQCLSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001265295011 809751077 /nfs/dbraw/zinc/75/10/77/809751077.db2.gz NVLCNLJUPAHMPB-CQSZACIVSA-N 2 1 292.383 0.585 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001265295011 809751081 /nfs/dbraw/zinc/75/10/81/809751081.db2.gz NVLCNLJUPAHMPB-CQSZACIVSA-N 2 1 292.383 0.585 20 30 CCEDMP CC#CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001265377908 809767675 /nfs/dbraw/zinc/76/76/75/809767675.db2.gz DVATVRVBEDIUMC-ZFWWWQNUSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001265655167 809820928 /nfs/dbraw/zinc/82/09/28/809820928.db2.gz BCKNVRJOIJKABN-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001265655167 809820939 /nfs/dbraw/zinc/82/09/39/809820939.db2.gz BCKNVRJOIJKABN-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001265655167 809820944 /nfs/dbraw/zinc/82/09/44/809820944.db2.gz BCKNVRJOIJKABN-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265967603 809908957 /nfs/dbraw/zinc/90/89/57/809908957.db2.gz WOPFZKOXLFOGEO-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265967603 809908963 /nfs/dbraw/zinc/90/89/63/809908963.db2.gz WOPFZKOXLFOGEO-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001267283008 811091864 /nfs/dbraw/zinc/09/18/64/811091864.db2.gz ZMECUHWMCRIBIU-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267750167 811744189 /nfs/dbraw/zinc/74/41/89/811744189.db2.gz YORFFYAJNAUTMC-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267750167 811744192 /nfs/dbraw/zinc/74/41/92/811744192.db2.gz YORFFYAJNAUTMC-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001267849431 811833912 /nfs/dbraw/zinc/83/39/12/811833912.db2.gz PFYZLEHFAGGJNR-HOCLYGCPSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC1 ZINC001038369941 811839389 /nfs/dbraw/zinc/83/93/89/811839389.db2.gz YBHZSUJWJGYNEK-GJZGRUSLSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008530627 811904558 /nfs/dbraw/zinc/90/45/58/811904558.db2.gz BGWLAQRFBDUJPC-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001008530627 811904561 /nfs/dbraw/zinc/90/45/61/811904561.db2.gz BGWLAQRFBDUJPC-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008530627 811904568 /nfs/dbraw/zinc/90/45/68/811904568.db2.gz BGWLAQRFBDUJPC-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008530627 811904570 /nfs/dbraw/zinc/90/45/70/811904570.db2.gz BGWLAQRFBDUJPC-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077395084 815492628 /nfs/dbraw/zinc/49/26/28/815492628.db2.gz SEOOTJIJHHBSHZ-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077395084 815492636 /nfs/dbraw/zinc/49/26/36/815492636.db2.gz SEOOTJIJHHBSHZ-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001268239799 812404632 /nfs/dbraw/zinc/40/46/32/812404632.db2.gz RATSIWKJNIGYJD-ZDUSSCGKSA-N 2 1 271.380 0.690 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028461022 812729887 /nfs/dbraw/zinc/72/98/87/812729887.db2.gz HZKVTGBRHAWERB-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028461022 812729892 /nfs/dbraw/zinc/72/98/92/812729892.db2.gz HZKVTGBRHAWERB-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461022 812729898 /nfs/dbraw/zinc/72/98/98/812729898.db2.gz HZKVTGBRHAWERB-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461022 812729904 /nfs/dbraw/zinc/72/99/04/812729904.db2.gz HZKVTGBRHAWERB-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028544581 812832436 /nfs/dbraw/zinc/83/24/36/812832436.db2.gz GFOAVYHXSUFHRG-GOEBONIOSA-N 2 1 289.423 0.790 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629260 813006830 /nfs/dbraw/zinc/00/68/30/813006830.db2.gz HYXQPQREMDMZPY-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629260 813006837 /nfs/dbraw/zinc/00/68/37/813006837.db2.gz HYXQPQREMDMZPY-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629260 813006845 /nfs/dbraw/zinc/00/68/45/813006845.db2.gz HYXQPQREMDMZPY-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629260 813006853 /nfs/dbraw/zinc/00/68/53/813006853.db2.gz HYXQPQREMDMZPY-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001268735084 813048432 /nfs/dbraw/zinc/04/84/32/813048432.db2.gz DQDPVBWTIDAHHY-KGLIPLIRSA-N 2 1 288.395 0.905 20 30 CCEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001269071629 813207798 /nfs/dbraw/zinc/20/77/98/813207798.db2.gz NHDKUAJIVNPPGZ-MRVWCRGKSA-N 2 1 265.401 0.997 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001269105529 813218980 /nfs/dbraw/zinc/21/89/80/813218980.db2.gz VHJCMORZTHXBMC-KBPBESRZSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269192250 813257959 /nfs/dbraw/zinc/25/79/59/813257959.db2.gz PYYWSIOMLVUBRQ-CABCVRRESA-N 2 1 297.443 0.966 20 30 CCEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001269510641 813398238 /nfs/dbraw/zinc/39/82/38/813398238.db2.gz RXJQSWHUTBNQSD-CHWSQXEVSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001270067194 813610693 /nfs/dbraw/zinc/61/06/93/813610693.db2.gz RSSMLSOIUOUMHH-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028929507 813669920 /nfs/dbraw/zinc/66/99/20/813669920.db2.gz GUXLYFGRUZBZOD-ZDUSSCGKSA-N 2 1 261.369 0.154 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028987227 813726622 /nfs/dbraw/zinc/72/66/22/813726622.db2.gz WKINHRDIKWGJPJ-ZIAGYGMSSA-N 2 1 265.401 0.952 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028987227 813726627 /nfs/dbraw/zinc/72/66/27/813726627.db2.gz WKINHRDIKWGJPJ-ZIAGYGMSSA-N 2 1 265.401 0.952 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028987227 813726634 /nfs/dbraw/zinc/72/66/34/813726634.db2.gz WKINHRDIKWGJPJ-ZIAGYGMSSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001028997305 813738139 /nfs/dbraw/zinc/73/81/39/813738139.db2.gz QXDBMYDPRXLVIM-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001028997305 813738143 /nfs/dbraw/zinc/73/81/43/813738143.db2.gz QXDBMYDPRXLVIM-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028997305 813738147 /nfs/dbraw/zinc/73/81/47/813738147.db2.gz QXDBMYDPRXLVIM-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028997305 813738150 /nfs/dbraw/zinc/73/81/50/813738150.db2.gz QXDBMYDPRXLVIM-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001029002350 813743914 /nfs/dbraw/zinc/74/39/14/813743914.db2.gz PRXDGVIBISSRRV-HNNXBMFYSA-N 2 1 287.407 0.403 20 30 CCEDMP C#CC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001270642408 813867925 /nfs/dbraw/zinc/86/79/25/813867925.db2.gz LTMIEKIBOSWPDB-INIZCTEOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001270642408 813867934 /nfs/dbraw/zinc/86/79/34/813867934.db2.gz LTMIEKIBOSWPDB-INIZCTEOSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001271930541 814632936 /nfs/dbraw/zinc/63/29/36/814632936.db2.gz TXVQWRUCGGLOFR-AWEZNQCLSA-N 2 1 276.384 0.945 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001271996227 814670422 /nfs/dbraw/zinc/67/04/22/814670422.db2.gz JWDCGQDOMGLWJL-GDBMZVCRSA-N 2 1 295.427 0.457 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271996227 814670429 /nfs/dbraw/zinc/67/04/29/814670429.db2.gz JWDCGQDOMGLWJL-GDBMZVCRSA-N 2 1 295.427 0.457 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001271996227 814670433 /nfs/dbraw/zinc/67/04/33/814670433.db2.gz JWDCGQDOMGLWJL-GDBMZVCRSA-N 2 1 295.427 0.457 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255344 816465884 /nfs/dbraw/zinc/46/58/84/816465884.db2.gz IVFXRFLFVHPRAW-KBPBESRZSA-N 2 1 263.385 0.590 20 30 CCEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC001121931751 816486509 /nfs/dbraw/zinc/48/65/09/816486509.db2.gz ROBBYELPWJZWIE-SDDRHHMPSA-N 2 1 250.346 0.087 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC=C)[C@H](C)C1 ZINC001106266529 816700273 /nfs/dbraw/zinc/70/02/73/816700273.db2.gz OTGQGPDPKZQKPJ-OAGGEKHMSA-N 2 1 289.423 0.954 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC=C)[C@H](C)C1 ZINC001106266529 816700279 /nfs/dbraw/zinc/70/02/79/816700279.db2.gz OTGQGPDPKZQKPJ-OAGGEKHMSA-N 2 1 289.423 0.954 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031579190 817158738 /nfs/dbraw/zinc/15/87/38/817158738.db2.gz DBPBJHQVKVATIB-CYBMUJFWSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001031712196 817274959 /nfs/dbraw/zinc/27/49/59/817274959.db2.gz RVLVRHCGSQOGND-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001031712196 817274964 /nfs/dbraw/zinc/27/49/64/817274964.db2.gz RVLVRHCGSQOGND-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001031712196 817274970 /nfs/dbraw/zinc/27/49/70/817274970.db2.gz RVLVRHCGSQOGND-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001031714851 817279175 /nfs/dbraw/zinc/27/91/75/817279175.db2.gz NLCFMGKZVQINEO-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031919642 817464982 /nfs/dbraw/zinc/46/49/82/817464982.db2.gz GJGGWTKQHPVMBQ-AWEZNQCLSA-N 2 1 281.400 0.330 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001032205621 817702481 /nfs/dbraw/zinc/70/24/81/817702481.db2.gz CYQVQNAIASJVEL-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032981810 818405523 /nfs/dbraw/zinc/40/55/23/818405523.db2.gz UHYKADQRJMNAOS-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032981810 818405529 /nfs/dbraw/zinc/40/55/29/818405529.db2.gz UHYKADQRJMNAOS-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032981810 818405533 /nfs/dbraw/zinc/40/55/33/818405533.db2.gz UHYKADQRJMNAOS-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032981810 818405538 /nfs/dbraw/zinc/40/55/38/818405538.db2.gz UHYKADQRJMNAOS-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001033163021 818590595 /nfs/dbraw/zinc/59/05/95/818590595.db2.gz XGDFXCKCHLHFFS-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001033163021 818590603 /nfs/dbraw/zinc/59/06/03/818590603.db2.gz XGDFXCKCHLHFFS-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001033163021 818590608 /nfs/dbraw/zinc/59/06/08/818590608.db2.gz XGDFXCKCHLHFFS-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001033163021 818590610 /nfs/dbraw/zinc/59/06/10/818590610.db2.gz XGDFXCKCHLHFFS-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033267543 818683117 /nfs/dbraw/zinc/68/31/17/818683117.db2.gz USHWBLDZKYQNOQ-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033267543 818683125 /nfs/dbraw/zinc/68/31/25/818683125.db2.gz USHWBLDZKYQNOQ-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035612216 819589007 /nfs/dbraw/zinc/58/90/07/819589007.db2.gz CANBURPMOGFHTK-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001035612216 819589011 /nfs/dbraw/zinc/58/90/11/819589011.db2.gz CANBURPMOGFHTK-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035612216 819589013 /nfs/dbraw/zinc/58/90/13/819589013.db2.gz CANBURPMOGFHTK-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035612216 819589017 /nfs/dbraw/zinc/58/90/17/819589017.db2.gz CANBURPMOGFHTK-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035794673 819626559 /nfs/dbraw/zinc/62/65/59/819626559.db2.gz IVUSZDCNELAXIT-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080193035 820525302 /nfs/dbraw/zinc/52/53/02/820525302.db2.gz YSZIDHBLHXPPGW-BMFZPTHFSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080193035 820525305 /nfs/dbraw/zinc/52/53/05/820525305.db2.gz YSZIDHBLHXPPGW-BMFZPTHFSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080947832 820659711 /nfs/dbraw/zinc/65/97/11/820659711.db2.gz OTRZEMRQSXZKFA-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080947832 820659717 /nfs/dbraw/zinc/65/97/17/820659717.db2.gz OTRZEMRQSXZKFA-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954220 821165023 /nfs/dbraw/zinc/16/50/23/821165023.db2.gz PTIDKMSYARFBEO-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954220 821165030 /nfs/dbraw/zinc/16/50/30/821165030.db2.gz PTIDKMSYARFBEO-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954220 821165035 /nfs/dbraw/zinc/16/50/35/821165035.db2.gz PTIDKMSYARFBEO-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084230695 821248039 /nfs/dbraw/zinc/24/80/39/821248039.db2.gz DLOZCENKROEDIS-HZSPNIEDSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084230695 821248048 /nfs/dbraw/zinc/24/80/48/821248048.db2.gz DLOZCENKROEDIS-HZSPNIEDSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084230695 821248056 /nfs/dbraw/zinc/24/80/56/821248056.db2.gz DLOZCENKROEDIS-HZSPNIEDSA-N 2 1 263.385 0.799 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084831353 821405019 /nfs/dbraw/zinc/40/50/19/821405019.db2.gz IKMHRKXDLMICNN-RBSFLKMASA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084831353 821405022 /nfs/dbraw/zinc/40/50/22/821405022.db2.gz IKMHRKXDLMICNN-RBSFLKMASA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084831353 821405026 /nfs/dbraw/zinc/40/50/26/821405026.db2.gz IKMHRKXDLMICNN-RBSFLKMASA-N 2 1 275.396 0.494 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085159136 821521015 /nfs/dbraw/zinc/52/10/15/821521015.db2.gz JCNSHAQLOTVBAT-MCIONIFRSA-N 2 1 281.400 0.520 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085159136 821521021 /nfs/dbraw/zinc/52/10/21/821521021.db2.gz JCNSHAQLOTVBAT-MCIONIFRSA-N 2 1 281.400 0.520 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001273301464 821576135 /nfs/dbraw/zinc/57/61/35/821576135.db2.gz UQJHCGWAQAWKSU-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798986 821959512 /nfs/dbraw/zinc/95/95/12/821959512.db2.gz GEMKNKHWPSWYFB-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086270568 822181628 /nfs/dbraw/zinc/18/16/28/822181628.db2.gz KFESHPYURVMYCL-MELADBBJSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086387435 822233191 /nfs/dbraw/zinc/23/31/91/822233191.db2.gz DLYXHVTXGWSBDL-IHRRRGAJSA-N 2 1 286.379 0.878 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001086477989 822273408 /nfs/dbraw/zinc/27/34/08/822273408.db2.gz FFYOHCQBFZJLSL-XDQVBPFNSA-N 2 1 265.401 0.855 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297181 837752070 /nfs/dbraw/zinc/75/20/70/837752070.db2.gz IVWHWOVZBLYFSG-NSHDSACASA-N 2 1 259.781 0.929 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130300226 837753517 /nfs/dbraw/zinc/75/35/17/837753517.db2.gz KHZUIKBSDKRFLC-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP C#CCOCCOCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169111845 836152096 /nfs/dbraw/zinc/15/20/96/836152096.db2.gz QHBBPMDGYCOQQS-QKDCVEJESA-N 2 1 266.385 0.868 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001115306539 836496386 /nfs/dbraw/zinc/49/63/86/836496386.db2.gz QLQMGQIRKUGUHM-JJXSEGSLSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001132736903 838481440 /nfs/dbraw/zinc/48/14/40/838481440.db2.gz FPOZQAQTYRTFJD-CQSZACIVSA-N 2 1 265.401 0.838 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852593 838508623 /nfs/dbraw/zinc/50/86/23/838508623.db2.gz RZCMTXLAJJETJP-ZDUSSCGKSA-N 2 1 269.389 0.378 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001133000993 838531638 /nfs/dbraw/zinc/53/16/38/838531638.db2.gz PETXKUXPZBLWCL-LBPRGKRZSA-N 2 1 260.341 0.093 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133869962 838761949 /nfs/dbraw/zinc/76/19/49/838761949.db2.gz OSYIDYMOYKZDQD-GFCCVEGCSA-N 2 1 262.357 0.646 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133905561 838771868 /nfs/dbraw/zinc/77/18/68/838771868.db2.gz DGBKLXFKQMOECL-UHFFFAOYSA-N 2 1 283.416 0.320 20 30 CCEDMP Cc1[nH+]c(NCCOCCOCC[NH3+])ccc1CC#N ZINC001159447705 839199551 /nfs/dbraw/zinc/19/95/51/839199551.db2.gz QSCFYMHYXNXBTG-UHFFFAOYSA-N 2 1 278.356 0.860 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650382 844441839 /nfs/dbraw/zinc/44/18/39/844441839.db2.gz IFRBLLYTORGEAM-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659280 844443906 /nfs/dbraw/zinc/44/39/06/844443906.db2.gz FXTXEFZWMGPKKX-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCCOC1 ZINC001246308361 839780810 /nfs/dbraw/zinc/78/08/10/839780810.db2.gz QBBLDLGNJQIGBY-STQMWFEESA-N 2 1 270.373 0.982 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001091068066 840026179 /nfs/dbraw/zinc/02/61/79/840026179.db2.gz DLYXHVTXGWSBDL-RUXDESIVSA-N 2 1 286.379 0.878 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092010940 840985723 /nfs/dbraw/zinc/98/57/23/840985723.db2.gz OWWNIBFRCDLNLG-UXLLHSPISA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092010940 840985732 /nfs/dbraw/zinc/98/57/32/840985732.db2.gz OWWNIBFRCDLNLG-UXLLHSPISA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092010940 840985739 /nfs/dbraw/zinc/98/57/39/840985739.db2.gz OWWNIBFRCDLNLG-UXLLHSPISA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275494 841005874 /nfs/dbraw/zinc/00/58/74/841005874.db2.gz FSOKXSKWDDUJSS-ZBFHGGJFSA-N 2 1 275.396 0.496 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092509553 841030408 /nfs/dbraw/zinc/03/04/08/841030408.db2.gz DFTNASBKQQRJNE-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092509553 841030410 /nfs/dbraw/zinc/03/04/10/841030410.db2.gz DFTNASBKQQRJNE-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092509553 841030420 /nfs/dbraw/zinc/03/04/20/841030420.db2.gz DFTNASBKQQRJNE-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149895361 841627431 /nfs/dbraw/zinc/62/74/31/841627431.db2.gz HXEJHJLQFHZBHQ-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036895873 841663423 /nfs/dbraw/zinc/66/34/23/841663423.db2.gz FWJYWKVDYCGBJA-HUUCEWRRSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001094577713 841672987 /nfs/dbraw/zinc/67/29/87/841672987.db2.gz MBMGLAZEYQXTNH-BFYDXBDKSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577713 841672991 /nfs/dbraw/zinc/67/29/91/841672991.db2.gz MBMGLAZEYQXTNH-BFYDXBDKSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577713 841672996 /nfs/dbraw/zinc/67/29/96/841672996.db2.gz MBMGLAZEYQXTNH-BFYDXBDKSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171487642 841726175 /nfs/dbraw/zinc/72/61/75/841726175.db2.gz XEGQNMJZGFWOJX-RBSFLKMASA-N 2 1 295.427 0.603 20 30 CCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171487642 841726179 /nfs/dbraw/zinc/72/61/79/841726179.db2.gz XEGQNMJZGFWOJX-RBSFLKMASA-N 2 1 295.427 0.603 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178107672 842758688 /nfs/dbraw/zinc/75/86/88/842758688.db2.gz VWGXSXAFISBPEV-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178107672 842758696 /nfs/dbraw/zinc/75/86/96/842758696.db2.gz VWGXSXAFISBPEV-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810917 842921235 /nfs/dbraw/zinc/92/12/35/842921235.db2.gz OUHQKONKDIQSLL-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810917 842921239 /nfs/dbraw/zinc/92/12/39/842921239.db2.gz OUHQKONKDIQSLL-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115080765 843591674 /nfs/dbraw/zinc/59/16/74/843591674.db2.gz DNHHDCVHCQBRMH-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115080765 843591679 /nfs/dbraw/zinc/59/16/79/843591679.db2.gz DNHHDCVHCQBRMH-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115080765 843591683 /nfs/dbraw/zinc/59/16/83/843591683.db2.gz DNHHDCVHCQBRMH-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181822170 843620995 /nfs/dbraw/zinc/62/09/95/843620995.db2.gz PFRFDARXCSLMIR-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181822170 843620999 /nfs/dbraw/zinc/62/09/99/843620999.db2.gz PFRFDARXCSLMIR-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001182125157 843721387 /nfs/dbraw/zinc/72/13/87/843721387.db2.gz QGXHEKJEZWSLFZ-CZUORRHYSA-N 2 1 288.395 0.899 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187842866 844779364 /nfs/dbraw/zinc/77/93/64/844779364.db2.gz QSKVPCSQCOZVBU-CQSZACIVSA-N 2 1 292.383 0.585 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192957450 845935605 /nfs/dbraw/zinc/93/56/05/845935605.db2.gz BZOZRVSTEJJPQW-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194155503 846224172 /nfs/dbraw/zinc/22/41/72/846224172.db2.gz UJQRNASTTKKFRB-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001194155503 846224176 /nfs/dbraw/zinc/22/41/76/846224176.db2.gz UJQRNASTTKKFRB-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001194155503 846224182 /nfs/dbraw/zinc/22/41/82/846224182.db2.gz UJQRNASTTKKFRB-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194155503 846224188 /nfs/dbraw/zinc/22/41/88/846224188.db2.gz UJQRNASTTKKFRB-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194155503 846224198 /nfs/dbraw/zinc/22/41/98/846224198.db2.gz UJQRNASTTKKFRB-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196207577 846706402 /nfs/dbraw/zinc/70/64/02/846706402.db2.gz QPIKBOXXTQMKHW-ZIAGYGMSSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196207577 846706414 /nfs/dbraw/zinc/70/64/14/846706414.db2.gz QPIKBOXXTQMKHW-ZIAGYGMSSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196207577 846706424 /nfs/dbraw/zinc/70/64/24/846706424.db2.gz QPIKBOXXTQMKHW-ZIAGYGMSSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197833181 846971888 /nfs/dbraw/zinc/97/18/88/846971888.db2.gz SZQPGEACNUVZHR-UHFFFAOYSA-N 2 1 281.400 0.122 20 30 CCEDMP C=C(C)C[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197817177 846984721 /nfs/dbraw/zinc/98/47/21/846984721.db2.gz IUHMXKAVODKKKJ-UHFFFAOYSA-N 2 1 283.416 0.675 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976453 847709176 /nfs/dbraw/zinc/70/91/76/847709176.db2.gz TZWBXRDEABCVIE-AWEZNQCLSA-N 2 1 292.383 0.585 20 30 CCEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001273929175 847859760 /nfs/dbraw/zinc/85/97/60/847859760.db2.gz HTYJVWJSRCHRCR-INIZCTEOSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153388166 847999247 /nfs/dbraw/zinc/99/92/47/847999247.db2.gz UFHYADYOXRGNFC-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001095768780 849136474 /nfs/dbraw/zinc/13/64/74/849136474.db2.gz KFQFYLNNNOWFRJ-ILXRZTDVSA-N 2 1 286.379 0.936 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001095768780 849136476 /nfs/dbraw/zinc/13/64/76/849136476.db2.gz KFQFYLNNNOWFRJ-ILXRZTDVSA-N 2 1 286.379 0.936 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314995 850614147 /nfs/dbraw/zinc/61/41/47/850614147.db2.gz YBQJVTGUSNRZOA-CABCVRRESA-N 2 1 287.407 0.638 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCC)C2)CC1 ZINC001044332809 851080516 /nfs/dbraw/zinc/08/05/16/851080516.db2.gz KABPCCJHZPPEBD-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001045644485 851291941 /nfs/dbraw/zinc/29/19/41/851291941.db2.gz JZMMZYNZLUXYOW-AWEZNQCLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001045644485 851291951 /nfs/dbraw/zinc/29/19/51/851291951.db2.gz JZMMZYNZLUXYOW-AWEZNQCLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001046849210 851631173 /nfs/dbraw/zinc/63/11/73/851631173.db2.gz CKLMPGOXOCYPHQ-QGZVFWFLSA-N 2 1 287.407 0.545 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001047429302 851760845 /nfs/dbraw/zinc/76/08/45/851760845.db2.gz SJIMEXKKXUUHJH-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047429302 851760850 /nfs/dbraw/zinc/76/08/50/851760850.db2.gz SJIMEXKKXUUHJH-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047429302 851760855 /nfs/dbraw/zinc/76/08/55/851760855.db2.gz SJIMEXKKXUUHJH-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001047429302 851760860 /nfs/dbraw/zinc/76/08/60/851760860.db2.gz SJIMEXKKXUUHJH-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001047429302 851760864 /nfs/dbraw/zinc/76/08/64/851760864.db2.gz SJIMEXKKXUUHJH-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001047527278 851802207 /nfs/dbraw/zinc/80/22/07/851802207.db2.gz AUBQAFJIJXMQDD-IHRRRGAJSA-N 2 1 281.400 0.160 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001047527278 851802214 /nfs/dbraw/zinc/80/22/14/851802214.db2.gz AUBQAFJIJXMQDD-IHRRRGAJSA-N 2 1 281.400 0.160 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001047527278 851802221 /nfs/dbraw/zinc/80/22/21/851802221.db2.gz AUBQAFJIJXMQDD-IHRRRGAJSA-N 2 1 281.400 0.160 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001047527278 851802239 /nfs/dbraw/zinc/80/22/39/851802239.db2.gz AUBQAFJIJXMQDD-IHRRRGAJSA-N 2 1 281.400 0.160 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048896888 852102633 /nfs/dbraw/zinc/10/26/33/852102633.db2.gz IVWYXYQLWLYZQQ-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001048896888 852102638 /nfs/dbraw/zinc/10/26/38/852102638.db2.gz IVWYXYQLWLYZQQ-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001048896888 852102642 /nfs/dbraw/zinc/10/26/42/852102642.db2.gz IVWYXYQLWLYZQQ-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231870 852200090 /nfs/dbraw/zinc/20/00/90/852200090.db2.gz NJGLZGYJVXWLOZ-GEEKYZPCSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231870 852200096 /nfs/dbraw/zinc/20/00/96/852200096.db2.gz NJGLZGYJVXWLOZ-GEEKYZPCSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231870 852200104 /nfs/dbraw/zinc/20/01/04/852200104.db2.gz NJGLZGYJVXWLOZ-GEEKYZPCSA-N 2 1 289.423 0.883 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052274972 853721386 /nfs/dbraw/zinc/72/13/86/853721386.db2.gz DRXSVUHWKWEVSY-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052274972 853721391 /nfs/dbraw/zinc/72/13/91/853721391.db2.gz DRXSVUHWKWEVSY-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052274972 853721401 /nfs/dbraw/zinc/72/14/01/853721401.db2.gz DRXSVUHWKWEVSY-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052274972 853721412 /nfs/dbraw/zinc/72/14/12/853721412.db2.gz DRXSVUHWKWEVSY-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000385677144 853898424 /nfs/dbraw/zinc/89/84/24/853898424.db2.gz CCWJWYVBJYTZNI-OLZOCXBDSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000385677144 853898427 /nfs/dbraw/zinc/89/84/27/853898427.db2.gz CCWJWYVBJYTZNI-OLZOCXBDSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001072848657 854480087 /nfs/dbraw/zinc/48/00/87/854480087.db2.gz FYCXCQUXSMZSII-CYBMUJFWSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886579 854657957 /nfs/dbraw/zinc/65/79/57/854657957.db2.gz RSXNJRYUNGAPRF-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886579 854657961 /nfs/dbraw/zinc/65/79/61/854657961.db2.gz RSXNJRYUNGAPRF-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073891315 854659444 /nfs/dbraw/zinc/65/94/44/854659444.db2.gz OHQZRXKUGXEMIK-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073891315 854659446 /nfs/dbraw/zinc/65/94/46/854659446.db2.gz OHQZRXKUGXEMIK-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073891315 854659449 /nfs/dbraw/zinc/65/94/49/854659449.db2.gz OHQZRXKUGXEMIK-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001098403956 854863684 /nfs/dbraw/zinc/86/36/84/854863684.db2.gz AHWBOQHDTAZVJQ-OAHLLOKOSA-N 2 1 295.427 0.245 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099898584 855023354 /nfs/dbraw/zinc/02/33/54/855023354.db2.gz DQYBJHDEEWQCRA-ZIAGYGMSSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898584 855023360 /nfs/dbraw/zinc/02/33/60/855023360.db2.gz DQYBJHDEEWQCRA-ZIAGYGMSSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898584 855023367 /nfs/dbraw/zinc/02/33/67/855023367.db2.gz DQYBJHDEEWQCRA-ZIAGYGMSSA-N 2 1 297.443 0.844 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099898989 855025053 /nfs/dbraw/zinc/02/50/53/855025053.db2.gz LCWSDQNPYDCMDP-KBPBESRZSA-N 2 1 295.427 0.291 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898989 855025056 /nfs/dbraw/zinc/02/50/56/855025056.db2.gz LCWSDQNPYDCMDP-KBPBESRZSA-N 2 1 295.427 0.291 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898989 855025058 /nfs/dbraw/zinc/02/50/58/855025058.db2.gz LCWSDQNPYDCMDP-KBPBESRZSA-N 2 1 295.427 0.291 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722462 855527489 /nfs/dbraw/zinc/52/74/89/855527489.db2.gz NYQAZSWEKFSEAS-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111908343 855604272 /nfs/dbraw/zinc/60/42/72/855604272.db2.gz UOTWTNZVUWYOBH-HOCLYGCPSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001323337519 912281561 /nfs/dbraw/zinc/28/15/61/912281561.db2.gz WZRUZBBTPBETFV-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001323337519 912281574 /nfs/dbraw/zinc/28/15/74/912281574.db2.gz WZRUZBBTPBETFV-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001323337519 912281588 /nfs/dbraw/zinc/28/15/88/912281588.db2.gz WZRUZBBTPBETFV-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001323337519 912281601 /nfs/dbraw/zinc/28/16/01/912281601.db2.gz WZRUZBBTPBETFV-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001481070018 892128092 /nfs/dbraw/zinc/12/80/92/892128092.db2.gz GMGSHFAOGSFXEQ-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001481070018 892128099 /nfs/dbraw/zinc/12/80/99/892128099.db2.gz GMGSHFAOGSFXEQ-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001481070018 892128080 /nfs/dbraw/zinc/12/80/80/892128080.db2.gz GMGSHFAOGSFXEQ-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314836 892567011 /nfs/dbraw/zinc/56/70/11/892567011.db2.gz MPAPSVWOUNEOHI-LLVKDONJSA-N 2 1 259.781 0.739 20 30 CCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001326063366 913727728 /nfs/dbraw/zinc/72/77/28/913727728.db2.gz MEGWCRMQQMWHRH-UHFFFAOYSA-N 2 1 280.372 0.178 20 30 CCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482066778 893348718 /nfs/dbraw/zinc/34/87/18/893348718.db2.gz LZWFTWIRRYOXNC-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482066779 893350239 /nfs/dbraw/zinc/35/02/39/893350239.db2.gz LZWFTWIRRYOXNC-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001482553567 894232628 /nfs/dbraw/zinc/23/26/28/894232628.db2.gz NIECEVAVSIVFRO-KBPBESRZSA-N 2 1 265.401 0.692 20 30 CCEDMP C=CCOCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001482586779 894297012 /nfs/dbraw/zinc/29/70/12/894297012.db2.gz QVPLDNPNHGIOCL-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP C=CCOCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482586779 894297027 /nfs/dbraw/zinc/29/70/27/894297027.db2.gz QVPLDNPNHGIOCL-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP C=CCOCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001482586779 894297047 /nfs/dbraw/zinc/29/70/47/894297047.db2.gz QVPLDNPNHGIOCL-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001482773827 894592601 /nfs/dbraw/zinc/59/26/01/894592601.db2.gz FUBVGFYDMBHZPL-LSDHHAIUSA-N 2 1 297.443 0.892 20 30 CCEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001482848426 894647909 /nfs/dbraw/zinc/64/79/09/894647909.db2.gz ZOJBESAADQCNPM-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001482848428 894648156 /nfs/dbraw/zinc/64/81/56/894648156.db2.gz ZOJBESAADQCNPM-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001483790450 896054075 /nfs/dbraw/zinc/05/40/75/896054075.db2.gz HYBQTBLRARIWAK-UHFFFAOYSA-N 2 1 260.341 0.453 20 30 CCEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001484963151 896680667 /nfs/dbraw/zinc/68/06/67/896680667.db2.gz MXZSOGHJCQOWHL-UHFFFAOYSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001486356628 898814141 /nfs/dbraw/zinc/81/41/41/898814141.db2.gz PFOYQGDZUTVHEL-KBPBESRZSA-N 2 1 283.416 0.265 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486356628 898814156 /nfs/dbraw/zinc/81/41/56/898814156.db2.gz PFOYQGDZUTVHEL-KBPBESRZSA-N 2 1 283.416 0.265 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486356628 898814178 /nfs/dbraw/zinc/81/41/78/898814178.db2.gz PFOYQGDZUTVHEL-KBPBESRZSA-N 2 1 283.416 0.265 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCO1 ZINC001280628364 899903263 /nfs/dbraw/zinc/90/32/63/899903263.db2.gz JOVKXEICSLQNIS-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390201 900011709 /nfs/dbraw/zinc/01/17/09/900011709.db2.gz PBTKPHQBTWBEGL-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189390201 900011715 /nfs/dbraw/zinc/01/17/15/900011715.db2.gz PBTKPHQBTWBEGL-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189390201 900011724 /nfs/dbraw/zinc/01/17/24/900011724.db2.gz PBTKPHQBTWBEGL-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1CC#C ZINC001327213660 914420400 /nfs/dbraw/zinc/42/04/00/914420400.db2.gz SZOGIYLVPIOECJ-INIZCTEOSA-N 2 1 289.423 0.888 20 30 CCEDMP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001327213660 914420416 /nfs/dbraw/zinc/42/04/16/914420416.db2.gz SZOGIYLVPIOECJ-INIZCTEOSA-N 2 1 289.423 0.888 20 30 CCEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001327213660 914420428 /nfs/dbraw/zinc/42/04/28/914420428.db2.gz SZOGIYLVPIOECJ-INIZCTEOSA-N 2 1 289.423 0.888 20 30 CCEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001327213660 914420442 /nfs/dbraw/zinc/42/04/42/914420442.db2.gz SZOGIYLVPIOECJ-INIZCTEOSA-N 2 1 289.423 0.888 20 30 CCEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001327213660 914420457 /nfs/dbraw/zinc/42/04/57/914420457.db2.gz SZOGIYLVPIOECJ-INIZCTEOSA-N 2 1 289.423 0.888 20 30 CCEDMP CC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001490164474 900547261 /nfs/dbraw/zinc/54/72/61/900547261.db2.gz LUBVZPBYFQVBIR-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001490164474 900547265 /nfs/dbraw/zinc/54/72/65/900547265.db2.gz LUBVZPBYFQVBIR-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001490164474 900547277 /nfs/dbraw/zinc/54/72/77/900547277.db2.gz LUBVZPBYFQVBIR-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275639201 901161711 /nfs/dbraw/zinc/16/17/11/901161711.db2.gz TUSILQVFUALFGT-CQSZACIVSA-N 2 1 295.427 0.415 20 30 CCEDMP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001492868514 914563030 /nfs/dbraw/zinc/56/30/30/914563030.db2.gz WREWIEAAVIGBCH-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001492868514 914563038 /nfs/dbraw/zinc/56/30/38/914563038.db2.gz WREWIEAAVIGBCH-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001492868514 914563045 /nfs/dbraw/zinc/56/30/45/914563045.db2.gz WREWIEAAVIGBCH-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001492868514 914563051 /nfs/dbraw/zinc/56/30/51/914563051.db2.gz WREWIEAAVIGBCH-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001491178890 903422119 /nfs/dbraw/zinc/42/21/19/903422119.db2.gz HKWNKUSHJREADW-CABCVRRESA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064550 903831966 /nfs/dbraw/zinc/83/19/66/903831966.db2.gz OXXZUUOQKCVUNR-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001491561489 903962419 /nfs/dbraw/zinc/96/24/19/903962419.db2.gz XIUXCPPRDDUXKO-RDBSUJKOSA-N 2 1 265.401 0.834 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001282412970 904470753 /nfs/dbraw/zinc/47/07/53/904470753.db2.gz OTHAOCHKUVQDNX-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001282412970 904470758 /nfs/dbraw/zinc/47/07/58/904470758.db2.gz OTHAOCHKUVQDNX-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001282412970 904470765 /nfs/dbraw/zinc/47/07/65/904470765.db2.gz OTHAOCHKUVQDNX-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001282544733 904504191 /nfs/dbraw/zinc/50/41/91/904504191.db2.gz GXFSUYLICCLBGO-AWEZNQCLSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001282544733 904504202 /nfs/dbraw/zinc/50/42/02/904504202.db2.gz GXFSUYLICCLBGO-AWEZNQCLSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001283442901 904849408 /nfs/dbraw/zinc/84/94/08/904849408.db2.gz YEBZSDQIHNVJJB-KGLIPLIRSA-N 2 1 283.416 0.624 20 30 CCEDMP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001283442901 904849416 /nfs/dbraw/zinc/84/94/16/904849416.db2.gz YEBZSDQIHNVJJB-KGLIPLIRSA-N 2 1 283.416 0.624 20 30 CCEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001283554517 904906256 /nfs/dbraw/zinc/90/62/56/904906256.db2.gz RJOALZGYDOOIOS-DZGCQCFKSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001283714663 904970895 /nfs/dbraw/zinc/97/08/95/904970895.db2.gz OUAWKHHZGNWQPJ-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001283714663 904970912 /nfs/dbraw/zinc/97/09/12/904970912.db2.gz OUAWKHHZGNWQPJ-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001284448739 905301865 /nfs/dbraw/zinc/30/18/65/905301865.db2.gz SENLLCFNAPOWEO-HUUCEWRRSA-N 2 1 297.443 0.703 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001491752235 907546536 /nfs/dbraw/zinc/54/65/36/907546536.db2.gz XREMVCNGDLDHJW-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001491857146 907607666 /nfs/dbraw/zinc/60/76/66/907607666.db2.gz QJTSTGIQEGCJEK-CABCVRRESA-N 2 1 295.427 0.579 20 30 CCEDMP CC#CC[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1C ZINC001316864790 908554050 /nfs/dbraw/zinc/55/40/50/908554050.db2.gz BTOUQMQBVKBRTQ-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP CC#CC[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1C ZINC001316864790 908554061 /nfs/dbraw/zinc/55/40/61/908554061.db2.gz BTOUQMQBVKBRTQ-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001316992971 908907934 /nfs/dbraw/zinc/90/79/34/908907934.db2.gz WFURCIAOGQGYND-AWEZNQCLSA-N 2 1 293.411 0.475 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001317343487 909152565 /nfs/dbraw/zinc/15/25/65/909152565.db2.gz LLFOXTMACRGBGC-KBPBESRZSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)C[NH+](C)CCc1ccccc1 ZINC001317461835 909234797 /nfs/dbraw/zinc/23/47/97/909234797.db2.gz SGVNSPSAIGNRQY-UHFFFAOYSA-N 2 1 287.407 0.842 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001317461835 909234811 /nfs/dbraw/zinc/23/48/11/909234811.db2.gz SGVNSPSAIGNRQY-UHFFFAOYSA-N 2 1 287.407 0.842 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001317461835 909234827 /nfs/dbraw/zinc/23/48/27/909234827.db2.gz SGVNSPSAIGNRQY-UHFFFAOYSA-N 2 1 287.407 0.842 20 30 CCEDMP C=CCC[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317461840 909238616 /nfs/dbraw/zinc/23/86/16/909238616.db2.gz SPKPVSOWIXPRDK-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CCC[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317461840 909238632 /nfs/dbraw/zinc/23/86/32/909238632.db2.gz SPKPVSOWIXPRDK-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CCC[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317461840 909238647 /nfs/dbraw/zinc/23/86/47/909238647.db2.gz SPKPVSOWIXPRDK-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CCCC[N@H+](CCNC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC001317551472 909322715 /nfs/dbraw/zinc/32/27/15/909322715.db2.gz XGSSXQGEPSCREJ-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317551472 909322735 /nfs/dbraw/zinc/32/27/35/909322735.db2.gz XGSSXQGEPSCREJ-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317551472 909322749 /nfs/dbraw/zinc/32/27/49/909322749.db2.gz XGSSXQGEPSCREJ-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001317551472 909322766 /nfs/dbraw/zinc/32/27/66/909322766.db2.gz XGSSXQGEPSCREJ-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001317551472 909322783 /nfs/dbraw/zinc/32/27/83/909322783.db2.gz XGSSXQGEPSCREJ-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001319268730 910065543 /nfs/dbraw/zinc/06/55/43/910065543.db2.gz FBZUQUYINBSOMI-CABCVRRESA-N 2 1 295.427 0.320 20 30 CCEDMP C#CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@@H]21 ZINC001320111288 910471558 /nfs/dbraw/zinc/47/15/58/910471558.db2.gz NUTKBHCYPPJVRW-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001320111288 910471566 /nfs/dbraw/zinc/47/15/66/910471566.db2.gz NUTKBHCYPPJVRW-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001321066701 911060016 /nfs/dbraw/zinc/06/00/16/911060016.db2.gz OADHOCHVMAFCHI-LAYDCRAFSA-N 2 1 263.385 0.612 20 30 CCEDMP COCC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001322569948 911861506 /nfs/dbraw/zinc/86/15/06/911861506.db2.gz NDHDQINMNGFXCL-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001323016634 912072800 /nfs/dbraw/zinc/07/28/00/912072800.db2.gz XUJXWBPKFGDCFT-HNNXBMFYSA-N 2 1 277.412 0.978 20 30 CCEDMP CN(C)c1[nH+]cc(CNC(=O)[C@@H]([NH3+])CCCC#N)n1C ZINC001328182312 915017554 /nfs/dbraw/zinc/01/75/54/915017554.db2.gz YLYSRDNSJBYZJW-NSHDSACASA-N 2 1 278.360 0.123 20 30 CCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001329592103 916043573 /nfs/dbraw/zinc/04/35/73/916043573.db2.gz LHWUALMELIZWFF-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001329939393 916296659 /nfs/dbraw/zinc/29/66/59/916296659.db2.gz SVQNZZPDJCTAJA-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001332647443 918349315 /nfs/dbraw/zinc/34/93/15/918349315.db2.gz KMBWZQFDVGZPLF-CQSZACIVSA-N 2 1 292.383 0.048 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC001340866623 922249905 /nfs/dbraw/zinc/24/99/05/922249905.db2.gz ZJVQSAGAJXIPEI-GFCCVEGCSA-N 2 1 279.388 0.786 20 30 CCEDMP C#CCNCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC001341685343 922625883 /nfs/dbraw/zinc/62/58/83/922625883.db2.gz UBGOZAFSKUNIOS-UHFFFAOYSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC001341685343 922625896 /nfs/dbraw/zinc/62/58/96/922625896.db2.gz UBGOZAFSKUNIOS-UHFFFAOYSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC001341685343 922625904 /nfs/dbraw/zinc/62/59/04/922625904.db2.gz UBGOZAFSKUNIOS-UHFFFAOYSA-N 2 1 263.385 0.686 20 30 CCEDMP C[C@H](CCC#N)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000602542134 362669039 /nfs/dbraw/zinc/66/90/39/362669039.db2.gz UGRBEKHZXMJJMJ-CYBMUJFWSA-N 2 1 266.389 0.680 20 30 CCEDMP C[C@@H](CCC#N)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000602698329 362757752 /nfs/dbraw/zinc/75/77/52/362757752.db2.gz JRQQEJIFJJERGR-ZDUSSCGKSA-N 2 1 266.389 0.632 20 30 CCEDMP C[C@@H](CCC#N)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000602698329 362757756 /nfs/dbraw/zinc/75/77/56/362757756.db2.gz JRQQEJIFJJERGR-ZDUSSCGKSA-N 2 1 266.389 0.632 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000068195914 348802384 /nfs/dbraw/zinc/80/23/84/348802384.db2.gz HOZCHOWBUAHTPE-CYBMUJFWSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261579811 352561804 /nfs/dbraw/zinc/56/18/04/352561804.db2.gz FAQUETUDEQRFAH-MJBXVCDLSA-N 2 1 263.385 0.856 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000358218993 356775390 /nfs/dbraw/zinc/77/53/90/356775390.db2.gz DGJBDFANYJBNSG-ZDUSSCGKSA-N 2 1 251.374 0.847 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000592955866 359995068 /nfs/dbraw/zinc/99/50/68/359995068.db2.gz PKPGMVJTFJBKLI-KBPBESRZSA-N 2 1 294.399 0.331 20 30 CCEDMP N#Cc1ccc(CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594876137 360406814 /nfs/dbraw/zinc/40/68/14/360406814.db2.gz FQRAAUZSHWFVNU-CABCVRRESA-N 2 1 284.363 0.345 20 30 CCEDMP N#Cc1ccc(CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594876137 360406818 /nfs/dbraw/zinc/40/68/18/360406818.db2.gz FQRAAUZSHWFVNU-CABCVRRESA-N 2 1 284.363 0.345 20 30 CCEDMP C[N@@H+](CCc1ccc(C#N)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000595894706 360695280 /nfs/dbraw/zinc/69/52/80/360695280.db2.gz VZIKPLPKUATVAX-UHFFFAOYSA-N 2 1 286.379 0.464 20 30 CCEDMP C[C@]1(C#N)CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000595904286 360698424 /nfs/dbraw/zinc/69/84/24/360698424.db2.gz CGHNSKNOMUUBJR-CYBMUJFWSA-N 2 1 250.346 0.044 20 30 CCEDMP C[C@]1(C#N)CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000595904286 360698429 /nfs/dbraw/zinc/69/84/29/360698429.db2.gz CGHNSKNOMUUBJR-CYBMUJFWSA-N 2 1 250.346 0.044 20 30 CCEDMP C[C@@H](C#N)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597943178 361286496 /nfs/dbraw/zinc/28/64/96/361286496.db2.gz VOOAJDANMGMZLQ-RYUDHWBXSA-N 2 1 254.378 0.534 20 30 CCEDMP C[C@@H](C#N)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597943178 361286499 /nfs/dbraw/zinc/28/64/99/361286499.db2.gz VOOAJDANMGMZLQ-RYUDHWBXSA-N 2 1 254.378 0.534 20 30 CCEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000598729329 361499295 /nfs/dbraw/zinc/49/92/95/361499295.db2.gz IJBOEUBDIQIDCB-ZIAGYGMSSA-N 2 1 283.416 0.724 20 30 CCEDMP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000566732044 291433995 /nfs/dbraw/zinc/43/39/95/291433995.db2.gz VCUAVVHJTPSYAR-NSHDSACASA-N 2 1 290.342 0.780 20 30 CCEDMP C=CCNC(=O)NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123694712 389157162 /nfs/dbraw/zinc/15/71/62/389157162.db2.gz YPAJFAPXYFMOQL-NWDGAFQWSA-N 2 1 282.388 0.413 20 30 CCEDMP C=CCNC(=O)NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123694510 389157177 /nfs/dbraw/zinc/15/71/77/389157177.db2.gz YPAJFAPXYFMOQL-VXGBXAGGSA-N 2 1 282.388 0.413 20 30 CCEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC[NH+]1CCCCC1 ZINC000329476988 389165924 /nfs/dbraw/zinc/16/59/24/389165924.db2.gz PQXHEXKRVNOFRJ-AWEZNQCLSA-N 2 1 297.447 0.222 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnn(C)c1C ZINC000134214841 389243538 /nfs/dbraw/zinc/24/35/38/389243538.db2.gz XQGYSSODIFQTGS-ZDUSSCGKSA-N 2 1 278.404 0.617 20 30 CCEDMP OC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](CO)C2)C1 ZINC000351606153 389631359 /nfs/dbraw/zinc/63/13/59/389631359.db2.gz AYJXTFFGZXWIEV-HZPDHXFCSA-N 2 1 280.412 0.398 20 30 CCEDMP C=C[C@H](CO)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425895705 389659972 /nfs/dbraw/zinc/65/99/72/389659972.db2.gz KHGGNYCTPZUXPW-LLVKDONJSA-N 2 1 251.330 0.778 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351853579 389699396 /nfs/dbraw/zinc/69/93/96/389699396.db2.gz PCLIIDRFDKRJLR-VWYCJHECSA-N 2 1 268.361 0.056 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351853579 389699399 /nfs/dbraw/zinc/69/93/99/389699399.db2.gz PCLIIDRFDKRJLR-VWYCJHECSA-N 2 1 268.361 0.056 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000420299372 389980090 /nfs/dbraw/zinc/98/00/90/389980090.db2.gz AYSBTORRIJYKEF-DGAVXFQQSA-N 2 1 263.385 0.833 20 30 CCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1=O ZINC000420345907 389987341 /nfs/dbraw/zinc/98/73/41/389987341.db2.gz VXXWYZKUFNJTNG-HZSPNIEDSA-N 2 1 263.385 0.705 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000491681484 390116028 /nfs/dbraw/zinc/11/60/28/390116028.db2.gz NOZVQPKZURYPAT-ZDUSSCGKSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000491681484 390116029 /nfs/dbraw/zinc/11/60/29/390116029.db2.gz NOZVQPKZURYPAT-ZDUSSCGKSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000491681484 390116030 /nfs/dbraw/zinc/11/60/30/390116030.db2.gz NOZVQPKZURYPAT-ZDUSSCGKSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000491713617 390116223 /nfs/dbraw/zinc/11/62/23/390116223.db2.gz KGFKXQXMTGDFMH-AWEZNQCLSA-N 2 1 282.432 0.956 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000403025628 411785716 /nfs/dbraw/zinc/78/57/16/411785716.db2.gz ZDUSXXOATQSACE-DYEKYZERSA-N 2 1 251.374 0.738 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000403025628 411785719 /nfs/dbraw/zinc/78/57/19/411785719.db2.gz ZDUSXXOATQSACE-DYEKYZERSA-N 2 1 251.374 0.738 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346912 412034751 /nfs/dbraw/zinc/03/47/51/412034751.db2.gz LGPPFDPTKBADHJ-ZQDZILKHSA-N 2 1 295.427 0.895 20 30 CCEDMP C=CC[C@@]1(C(=O)N2CCC[N@H+](C)CC2)CCC[NH2+]1 ZINC000662765735 414775228 /nfs/dbraw/zinc/77/52/28/414775228.db2.gz IEBKINCHTDZXTE-AWEZNQCLSA-N 2 1 251.374 0.849 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000491784137 262045796 /nfs/dbraw/zinc/04/57/96/262045796.db2.gz QHAXSLTVNFKKNA-OLZOCXBDSA-N 2 1 266.389 0.320 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000491809813 262081324 /nfs/dbraw/zinc/08/13/24/262081324.db2.gz ZAQOYCRVWJXYOC-CYBMUJFWSA-N 2 1 266.389 0.383 20 30 CCEDMP C[C@H]1C[NH+](C)CCN1CC#CCN1CC[N@H+](C)C[C@@H]1C ZINC000341883873 263363327 /nfs/dbraw/zinc/36/33/27/263363327.db2.gz PDEGPZJQKGBDHD-HOTGVXAUSA-N 2 1 278.444 0.262 20 30 CCEDMP Cc1cncc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000305624083 649857521 /nfs/dbraw/zinc/85/75/21/649857521.db2.gz AXOYJVTYDIUXPF-UHFFFAOYSA-N 2 1 291.399 0.517 20 30 CCEDMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262303038 330005137 /nfs/dbraw/zinc/00/51/37/330005137.db2.gz QSOXTBAAVYDUIM-ZDUSSCGKSA-N 2 1 284.310 0.758 20 30 CCEDMP C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262829073 330034397 /nfs/dbraw/zinc/03/43/97/330034397.db2.gz UUSLRKSIEOBJBC-GFCCVEGCSA-N 2 1 293.415 0.011 20 30 CCEDMP C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262829073 330034399 /nfs/dbraw/zinc/03/43/99/330034399.db2.gz UUSLRKSIEOBJBC-GFCCVEGCSA-N 2 1 293.415 0.011 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnc(C)o1 ZINC000263025671 330039251 /nfs/dbraw/zinc/03/92/51/330039251.db2.gz ANUIKHORFWOMEE-LLVKDONJSA-N 2 1 265.361 0.872 20 30 CCEDMP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@@H]1C ZINC000424138669 330276847 /nfs/dbraw/zinc/27/68/47/330276847.db2.gz DNTBFEZYUCBARA-STQMWFEESA-N 2 1 282.388 0.187 20 30 CCEDMP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@@H]1C ZINC000424138669 330276848 /nfs/dbraw/zinc/27/68/48/330276848.db2.gz DNTBFEZYUCBARA-STQMWFEESA-N 2 1 282.388 0.187 20 30 CCEDMP C#CC[N@@H+](CC)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000490842103 332119925 /nfs/dbraw/zinc/11/99/25/332119925.db2.gz YMUYMLKOFXOUKN-UHFFFAOYSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@H+](CC)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000490842103 332119926 /nfs/dbraw/zinc/11/99/26/332119926.db2.gz YMUYMLKOFXOUKN-UHFFFAOYSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000491164713 332159179 /nfs/dbraw/zinc/15/91/79/332159179.db2.gz DVULORNRSYFMDK-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000491164713 332159180 /nfs/dbraw/zinc/15/91/80/332159180.db2.gz DVULORNRSYFMDK-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000491164713 332159181 /nfs/dbraw/zinc/15/91/81/332159181.db2.gz DVULORNRSYFMDK-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#C[C@@H](CC)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000491230509 332170509 /nfs/dbraw/zinc/17/05/09/332170509.db2.gz NFWDGJUQHJWSOE-AWEZNQCLSA-N 2 1 273.384 0.730 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(C[NH2+]CC)CC1 ZINC000491380886 332200962 /nfs/dbraw/zinc/20/09/62/332200962.db2.gz BJQJJDYIMQXYIB-UHFFFAOYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000491473487 332217710 /nfs/dbraw/zinc/21/77/10/332217710.db2.gz DUTNKRHDWIRDLP-OAHLLOKOSA-N 2 1 296.415 0.009 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000491568083 332239619 /nfs/dbraw/zinc/23/96/19/332239619.db2.gz OTJJDGYQDMZQJP-LLVKDONJSA-N 2 1 288.342 0.238 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000491644782 332262962 /nfs/dbraw/zinc/26/29/62/332262962.db2.gz LOELNFZDJVWLHY-KGLIPLIRSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000491644782 332262964 /nfs/dbraw/zinc/26/29/64/332262964.db2.gz LOELNFZDJVWLHY-KGLIPLIRSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000491644782 332262966 /nfs/dbraw/zinc/26/29/66/332262966.db2.gz LOELNFZDJVWLHY-KGLIPLIRSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000491666526 332274935 /nfs/dbraw/zinc/27/49/35/332274935.db2.gz WIEPONGTXFKYKK-UHFFFAOYSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000491729919 332312020 /nfs/dbraw/zinc/31/20/20/332312020.db2.gz IWJDANQMXYEZDV-OLZOCXBDSA-N 2 1 266.389 0.381 20 30 CCEDMP C=CCOCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000679487060 545410232 /nfs/dbraw/zinc/41/02/32/545410232.db2.gz WLKFBDQOOPISBY-UHFFFAOYSA-N 2 1 291.399 0.521 20 30 CCEDMP C[C@H]1C[N@@H+](C2CC2)CC1=NNC(=S)NCCC[NH+](C)C ZINC000755893748 581739582 /nfs/dbraw/zinc/73/95/82/581739582.db2.gz RWFXURMWJZMCQN-NSHDSACASA-N 2 1 297.472 0.872 20 30 CCEDMP C[C@H]1C[N@H+](C2CC2)CC1=NNC(=S)NCCC[NH+](C)C ZINC000755893748 581739583 /nfs/dbraw/zinc/73/95/83/581739583.db2.gz RWFXURMWJZMCQN-NSHDSACASA-N 2 1 297.472 0.872 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000731058406 581752335 /nfs/dbraw/zinc/75/23/35/581752335.db2.gz XLVARKFLOFBZOJ-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000731058406 581752337 /nfs/dbraw/zinc/75/23/37/581752337.db2.gz XLVARKFLOFBZOJ-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000731058406 581752339 /nfs/dbraw/zinc/75/23/39/581752339.db2.gz XLVARKFLOFBZOJ-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000731058406 581752341 /nfs/dbraw/zinc/75/23/41/581752341.db2.gz XLVARKFLOFBZOJ-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000908436630 613077743 /nfs/dbraw/zinc/07/77/43/613077743.db2.gz TWNJTMFXSAFHBD-CYBMUJFWSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000908436630 613077745 /nfs/dbraw/zinc/07/77/45/613077745.db2.gz TWNJTMFXSAFHBD-CYBMUJFWSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000908436630 613077747 /nfs/dbraw/zinc/07/77/47/613077747.db2.gz TWNJTMFXSAFHBD-CYBMUJFWSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972236078 613080087 /nfs/dbraw/zinc/08/00/87/613080087.db2.gz VOFZBESWGDVKDJ-CQSZACIVSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971675837 613091450 /nfs/dbraw/zinc/09/14/50/613091450.db2.gz BQKPHHGALDGOKR-UONOGXRCSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972266173 613091534 /nfs/dbraw/zinc/09/15/34/613091534.db2.gz QAABKRWEEXLXAU-UONOGXRCSA-N 2 1 265.401 0.739 20 30 CCEDMP C#CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000932463724 613107101 /nfs/dbraw/zinc/10/71/01/613107101.db2.gz MNOAIMMORDOTBQ-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000932463724 613107103 /nfs/dbraw/zinc/10/71/03/613107103.db2.gz MNOAIMMORDOTBQ-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891921056 613074169 /nfs/dbraw/zinc/07/41/69/613074169.db2.gz IRDWJTQRXZTJPG-RYUDHWBXSA-N 2 1 252.362 0.073 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000868653633 613074268 /nfs/dbraw/zinc/07/42/68/613074268.db2.gz ZCQFXNHBHXRUAR-GJZGRUSLSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868653633 613074270 /nfs/dbraw/zinc/07/42/70/613074270.db2.gz ZCQFXNHBHXRUAR-GJZGRUSLSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868653633 613074272 /nfs/dbraw/zinc/07/42/72/613074272.db2.gz ZCQFXNHBHXRUAR-GJZGRUSLSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847377081 613075630 /nfs/dbraw/zinc/07/56/30/613075630.db2.gz OOYFBPTVWOHQLK-OKILXGFUSA-N 2 1 280.416 0.581 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000894863359 613078728 /nfs/dbraw/zinc/07/87/28/613078728.db2.gz AGICSPCLUWHYOG-ZIAGYGMSSA-N 2 1 254.374 0.583 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000894863359 613078730 /nfs/dbraw/zinc/07/87/30/613078730.db2.gz AGICSPCLUWHYOG-ZIAGYGMSSA-N 2 1 254.374 0.583 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000923558772 613165074 /nfs/dbraw/zinc/16/50/74/613165074.db2.gz VNVXSMFHOMWHFP-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000923558772 613165076 /nfs/dbraw/zinc/16/50/76/613165076.db2.gz VNVXSMFHOMWHFP-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCC[NH+](C)C)C1 ZINC000890367662 613166970 /nfs/dbraw/zinc/16/69/70/613166970.db2.gz QZCDTIFWUSNBFE-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCC[NH+](C)C)C1 ZINC000890367662 613166973 /nfs/dbraw/zinc/16/69/73/613166973.db2.gz QZCDTIFWUSNBFE-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC2=CC[N@H+](C)CC2)C1 ZINC000890368007 613168253 /nfs/dbraw/zinc/16/82/53/613168253.db2.gz ZXPXGZDVQVLGHU-OAHLLOKOSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC2=CC[N@@H+](C)CC2)C1 ZINC000890368007 613168255 /nfs/dbraw/zinc/16/82/55/613168255.db2.gz ZXPXGZDVQVLGHU-OAHLLOKOSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2=CC[NH+](C)CC2)C1 ZINC000890368007 613168257 /nfs/dbraw/zinc/16/82/57/613168257.db2.gz ZXPXGZDVQVLGHU-OAHLLOKOSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2=CC[NH+](C)CC2)C1 ZINC000890368007 613168258 /nfs/dbraw/zinc/16/82/58/613168258.db2.gz ZXPXGZDVQVLGHU-OAHLLOKOSA-N 2 1 290.411 0.645 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCC[C@H]2C)C1 ZINC000896488326 613169325 /nfs/dbraw/zinc/16/93/25/613169325.db2.gz GZNAWJAKMVIYPY-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCC[C@H]2C)C1 ZINC000896488326 613169326 /nfs/dbraw/zinc/16/93/26/613169326.db2.gz GZNAWJAKMVIYPY-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC[C@H]2C)C1 ZINC000896488326 613169327 /nfs/dbraw/zinc/16/93/27/613169327.db2.gz GZNAWJAKMVIYPY-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC[C@H]2C)C1 ZINC000896488326 613169328 /nfs/dbraw/zinc/16/93/28/613169328.db2.gz GZNAWJAKMVIYPY-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC000896488273 613184707 /nfs/dbraw/zinc/18/47/07/613184707.db2.gz FYFRAZKRHDNMAB-CABCVRRESA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000896488273 613184709 /nfs/dbraw/zinc/18/47/09/613184709.db2.gz FYFRAZKRHDNMAB-CABCVRRESA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CC[C@@H](C)C2)C1 ZINC000896488273 613184711 /nfs/dbraw/zinc/18/47/11/613184711.db2.gz FYFRAZKRHDNMAB-CABCVRRESA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CC[C@@H](C)C2)C1 ZINC000896488273 613184712 /nfs/dbraw/zinc/18/47/12/613184712.db2.gz FYFRAZKRHDNMAB-CABCVRRESA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000884203343 613184900 /nfs/dbraw/zinc/18/49/00/613184900.db2.gz URXRHTPVLGKNBK-ZDUSSCGKSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+](C)C2CC2)C1 ZINC000884203343 613184901 /nfs/dbraw/zinc/18/49/01/613184901.db2.gz URXRHTPVLGKNBK-ZDUSSCGKSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+](C)C2CC2)C1 ZINC000884203343 613184902 /nfs/dbraw/zinc/18/49/02/613184902.db2.gz URXRHTPVLGKNBK-ZDUSSCGKSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C)C2CC2)C1 ZINC000884203343 613184903 /nfs/dbraw/zinc/18/49/03/613184903.db2.gz URXRHTPVLGKNBK-ZDUSSCGKSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)Cn2ccnc2)C1 ZINC000884083540 613187511 /nfs/dbraw/zinc/18/75/11/613187511.db2.gz RDFPSNRXPOXTAP-KGLIPLIRSA-N 2 1 289.383 0.668 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000838144592 613199558 /nfs/dbraw/zinc/19/95/58/613199558.db2.gz JGYZJKQUAMDRGN-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000838144592 613199560 /nfs/dbraw/zinc/19/95/60/613199560.db2.gz JGYZJKQUAMDRGN-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000838144592 613199561 /nfs/dbraw/zinc/19/95/61/613199561.db2.gz JGYZJKQUAMDRGN-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000838144592 613199563 /nfs/dbraw/zinc/19/95/63/613199563.db2.gz JGYZJKQUAMDRGN-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC)C1 ZINC000969866493 613201921 /nfs/dbraw/zinc/20/19/21/613201921.db2.gz WYUNNVSNHZAJPW-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC)C1 ZINC000969866493 613201922 /nfs/dbraw/zinc/20/19/22/613201922.db2.gz WYUNNVSNHZAJPW-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C[NH+]=C(NCCC[N@H+](C)CCN(C)C)NCc1ccco1 ZINC000849028144 613219252 /nfs/dbraw/zinc/21/92/52/613219252.db2.gz GKAXHPWZLNJCEU-UHFFFAOYSA-N 2 1 295.431 0.828 20 30 CCEDMP C[NH+]=C(NCCC[N@@H+](C)CCN(C)C)NCc1ccco1 ZINC000849028144 613219253 /nfs/dbraw/zinc/21/92/53/613219253.db2.gz GKAXHPWZLNJCEU-UHFFFAOYSA-N 2 1 295.431 0.828 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948052253 613225929 /nfs/dbraw/zinc/22/59/29/613225929.db2.gz CLNDLNQRRCJENU-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944151530 613257393 /nfs/dbraw/zinc/25/73/93/613257393.db2.gz ABPHDYFEEUTISA-KGLIPLIRSA-N 2 1 275.396 0.542 20 30 CCEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000980447048 613289749 /nfs/dbraw/zinc/28/97/49/613289749.db2.gz CQBYAJNMOHNLIG-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000980447048 613289751 /nfs/dbraw/zinc/28/97/51/613289751.db2.gz CQBYAJNMOHNLIG-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000980447048 613289753 /nfs/dbraw/zinc/28/97/53/613289753.db2.gz CQBYAJNMOHNLIG-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000980447048 613289755 /nfs/dbraw/zinc/28/97/55/613289755.db2.gz CQBYAJNMOHNLIG-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000959965790 613316872 /nfs/dbraw/zinc/31/68/72/613316872.db2.gz LBJRPBHNEMMFIN-VQJWOFKYSA-N 2 1 275.396 0.396 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000959965790 613316875 /nfs/dbraw/zinc/31/68/75/613316875.db2.gz LBJRPBHNEMMFIN-VQJWOFKYSA-N 2 1 275.396 0.396 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000959965790 613316876 /nfs/dbraw/zinc/31/68/76/613316876.db2.gz LBJRPBHNEMMFIN-VQJWOFKYSA-N 2 1 275.396 0.396 20 30 CCEDMP C#CCNC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178496 613328831 /nfs/dbraw/zinc/32/88/31/613328831.db2.gz WWWKDJGUQUANKX-UHFFFAOYSA-N 2 1 263.385 0.544 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959926423 613345161 /nfs/dbraw/zinc/34/51/61/613345161.db2.gz VUFQWJPAMCQESX-WCVJEAGWSA-N 2 1 289.423 0.951 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000967709083 613348866 /nfs/dbraw/zinc/34/88/66/613348866.db2.gz VNGORXYUEVZCOC-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930136987 613362649 /nfs/dbraw/zinc/36/26/49/613362649.db2.gz QIWIHXCFVRQBGC-JYJNAYRXSA-N 2 1 281.444 0.881 20 30 CCEDMP CC#CCN1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981960713 613551525 /nfs/dbraw/zinc/55/15/25/613551525.db2.gz XGUUTMZRGDPXLZ-LSDHHAIUSA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981960713 613551528 /nfs/dbraw/zinc/55/15/28/613551528.db2.gz XGUUTMZRGDPXLZ-LSDHHAIUSA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981960713 613551531 /nfs/dbraw/zinc/55/15/31/613551531.db2.gz XGUUTMZRGDPXLZ-LSDHHAIUSA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000981960713 613551533 /nfs/dbraw/zinc/55/15/33/613551533.db2.gz XGUUTMZRGDPXLZ-LSDHHAIUSA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981960713 613551535 /nfs/dbraw/zinc/55/15/35/613551535.db2.gz XGUUTMZRGDPXLZ-LSDHHAIUSA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978344686 613629623 /nfs/dbraw/zinc/62/96/23/613629623.db2.gz FOJRSRYMWGHMQF-LVQVYYBASA-N 2 1 289.423 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000978344686 613629625 /nfs/dbraw/zinc/62/96/25/613629625.db2.gz FOJRSRYMWGHMQF-LVQVYYBASA-N 2 1 289.423 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000978344686 613629628 /nfs/dbraw/zinc/62/96/28/613629628.db2.gz FOJRSRYMWGHMQF-LVQVYYBASA-N 2 1 289.423 0.788 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906591733 613674548 /nfs/dbraw/zinc/67/45/48/613674548.db2.gz FXNNJSSVXQFSQB-UHFFFAOYSA-N 2 1 294.443 0.246 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000968924761 613863554 /nfs/dbraw/zinc/86/35/54/613863554.db2.gz WKGNPJIBBIRGAL-GFCCVEGCSA-N 2 1 251.374 0.847 20 30 CCEDMP CCNC(NC[C@H]1CC[N@H+]1C1CCOCC1)=[NH+]CC ZINC000899262605 614420955 /nfs/dbraw/zinc/42/09/55/614420955.db2.gz OAIODQVSLYYHIR-CYBMUJFWSA-N 2 1 268.405 0.815 20 30 CCEDMP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437098 615064675 /nfs/dbraw/zinc/06/46/75/615064675.db2.gz WQBDMERRUYBPKE-QLFBSQMISA-N 2 1 292.427 0.878 20 30 CCEDMP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437098 615064676 /nfs/dbraw/zinc/06/46/76/615064676.db2.gz WQBDMERRUYBPKE-QLFBSQMISA-N 2 1 292.427 0.878 20 30 CCEDMP CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437098 615064678 /nfs/dbraw/zinc/06/46/78/615064678.db2.gz WQBDMERRUYBPKE-QLFBSQMISA-N 2 1 292.427 0.878 20 30 CCEDMP CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437098 615064679 /nfs/dbraw/zinc/06/46/79/615064679.db2.gz WQBDMERRUYBPKE-QLFBSQMISA-N 2 1 292.427 0.878 20 30 CCEDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886273570 615937515 /nfs/dbraw/zinc/93/75/15/615937515.db2.gz BYKMKZAOTWEMEY-HOCLYGCPSA-N 2 1 295.427 0.820 20 30 CCEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886273570 615937517 /nfs/dbraw/zinc/93/75/17/615937517.db2.gz BYKMKZAOTWEMEY-HOCLYGCPSA-N 2 1 295.427 0.820 20 30 CCEDMP C[N@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884198336 616213847 /nfs/dbraw/zinc/21/38/47/616213847.db2.gz SJYCVUVELSDZQP-ICRTXTNUSA-N 2 1 276.384 0.336 20 30 CCEDMP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876733377 616214244 /nfs/dbraw/zinc/21/42/44/616214244.db2.gz WTJPKFZIQGTUNP-GOEBONIOSA-N 2 1 298.390 0.955 20 30 CCEDMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876733377 616214245 /nfs/dbraw/zinc/21/42/45/616214245.db2.gz WTJPKFZIQGTUNP-GOEBONIOSA-N 2 1 298.390 0.955 20 30 CCEDMP COCC[N@H+]1CCCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852883666 616337643 /nfs/dbraw/zinc/33/76/43/616337643.db2.gz NDJWFHKXEDCSHD-UHFFFAOYSA-N 2 1 293.411 0.170 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]12 ZINC001026315830 625396292 /nfs/dbraw/zinc/39/62/92/625396292.db2.gz UBYKEEUHGMACQV-RBSFLKMASA-N 2 1 286.379 0.651 20 30 CCEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001026608847 625479902 /nfs/dbraw/zinc/47/99/02/625479902.db2.gz LVWQDPCBTTWELM-YMAMQOFZSA-N 2 1 293.411 0.357 20 30 CCEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001026608847 625479903 /nfs/dbraw/zinc/47/99/03/625479903.db2.gz LVWQDPCBTTWELM-YMAMQOFZSA-N 2 1 293.411 0.357 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022716819 622693894 /nfs/dbraw/zinc/69/38/94/622693894.db2.gz JCGNXJUOXORPKJ-YIYPIFLZSA-N 2 1 265.401 0.997 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cncn1C ZINC000290736189 623185248 /nfs/dbraw/zinc/18/52/48/623185248.db2.gz WPGIIPYAUZXLPE-NSHDSACASA-N 2 1 264.377 0.309 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781596 623882292 /nfs/dbraw/zinc/88/22/92/623882292.db2.gz KWNWATZKSAMYNO-LEOABGAYSA-N 2 1 287.407 0.540 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781596 623882294 /nfs/dbraw/zinc/88/22/94/623882294.db2.gz KWNWATZKSAMYNO-LEOABGAYSA-N 2 1 287.407 0.540 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781596 623882295 /nfs/dbraw/zinc/88/22/95/623882295.db2.gz KWNWATZKSAMYNO-LEOABGAYSA-N 2 1 287.407 0.540 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001020720929 624586491 /nfs/dbraw/zinc/58/64/91/624586491.db2.gz GZTSTCXVFXRTMH-AJNGGQMLSA-N 2 1 275.396 0.873 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(OC)CCOCC1 ZINC000160614101 624812825 /nfs/dbraw/zinc/81/28/25/624812825.db2.gz MITYCPPMWKSDFV-ZDUSSCGKSA-N 2 1 298.431 0.571 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001022076915 624871059 /nfs/dbraw/zinc/87/10/59/624871059.db2.gz FDTBHMGSMHAJCE-XQLPTFJDSA-N 2 1 275.396 0.731 20 30 CCEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000985796122 632643826 /nfs/dbraw/zinc/64/38/26/632643826.db2.gz HHHQHJCGFYQZSM-OAHLLOKOSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000985796122 632643830 /nfs/dbraw/zinc/64/38/30/632643830.db2.gz HHHQHJCGFYQZSM-OAHLLOKOSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000985796122 632643835 /nfs/dbraw/zinc/64/38/35/632643835.db2.gz HHHQHJCGFYQZSM-OAHLLOKOSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000985796122 632643845 /nfs/dbraw/zinc/64/38/45/632643845.db2.gz HHHQHJCGFYQZSM-OAHLLOKOSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001009512133 650146159 /nfs/dbraw/zinc/14/61/59/650146159.db2.gz ASCIZBSIHIULQT-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009512133 650146161 /nfs/dbraw/zinc/14/61/61/650146161.db2.gz ASCIZBSIHIULQT-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009512133 650146163 /nfs/dbraw/zinc/14/61/63/650146163.db2.gz ASCIZBSIHIULQT-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCOCC1 ZINC000170904776 637103793 /nfs/dbraw/zinc/10/37/93/637103793.db2.gz AIOHJKPATWGACE-ZDUSSCGKSA-N 2 1 268.405 0.802 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCCO1 ZINC000261980823 637510547 /nfs/dbraw/zinc/51/05/47/637510547.db2.gz HZQACPYFXAVVSX-OLZOCXBDSA-N 2 1 268.405 0.944 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000996620449 638824793 /nfs/dbraw/zinc/82/47/93/638824793.db2.gz NROBYNGTOIUICZ-LSDHHAIUSA-N 2 1 293.411 0.616 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000996620447 638824848 /nfs/dbraw/zinc/82/48/48/638824848.db2.gz NROBYNGTOIUICZ-HUUCEWRRSA-N 2 1 293.411 0.616 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC000996640752 638826110 /nfs/dbraw/zinc/82/61/10/638826110.db2.gz BRODTBHTFBNJPY-KGLIPLIRSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC000996640752 638826113 /nfs/dbraw/zinc/82/61/13/638826113.db2.gz BRODTBHTFBNJPY-KGLIPLIRSA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000997096083 638851912 /nfs/dbraw/zinc/85/19/12/638851912.db2.gz FMWULBNMEJMGAG-UHFFFAOYSA-N 2 1 281.400 0.475 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000999294003 638972401 /nfs/dbraw/zinc/97/24/01/638972401.db2.gz OUCNJYLACZPJOX-HESLUPGFSA-N 2 1 277.412 0.929 20 30 CCEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001000546890 639118096 /nfs/dbraw/zinc/11/80/96/639118096.db2.gz KJEYKLDUDAEHFD-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001000546890 639118098 /nfs/dbraw/zinc/11/80/98/639118098.db2.gz KJEYKLDUDAEHFD-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000546890 639118099 /nfs/dbraw/zinc/11/80/99/639118099.db2.gz KJEYKLDUDAEHFD-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000546890 639118102 /nfs/dbraw/zinc/11/81/02/639118102.db2.gz KJEYKLDUDAEHFD-HNNXBMFYSA-N 2 1 293.411 0.641 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001000688568 639152792 /nfs/dbraw/zinc/15/27/92/639152792.db2.gz KRWRPNXWJQJRAP-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC001000790930 639168043 /nfs/dbraw/zinc/16/80/43/639168043.db2.gz KLAREKWYRFGHEG-KRWDZBQOSA-N 2 1 299.418 0.856 20 30 CCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC001000790930 639168048 /nfs/dbraw/zinc/16/80/48/639168048.db2.gz KLAREKWYRFGHEG-KRWDZBQOSA-N 2 1 299.418 0.856 20 30 CCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001000790930 639168054 /nfs/dbraw/zinc/16/80/54/639168054.db2.gz KLAREKWYRFGHEG-KRWDZBQOSA-N 2 1 299.418 0.856 20 30 CCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001000790930 639168058 /nfs/dbraw/zinc/16/80/58/639168058.db2.gz KLAREKWYRFGHEG-KRWDZBQOSA-N 2 1 299.418 0.856 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001833248 639344102 /nfs/dbraw/zinc/34/41/02/639344102.db2.gz JYABQUOIFMCBMF-HIFRSBDPSA-N 2 1 277.412 0.646 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001004177857 639713426 /nfs/dbraw/zinc/71/34/26/639713426.db2.gz DESCNEKLXAHTHZ-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004177857 639713433 /nfs/dbraw/zinc/71/34/33/639713433.db2.gz DESCNEKLXAHTHZ-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015607461 650590815 /nfs/dbraw/zinc/59/08/15/650590815.db2.gz KXSKWZKKPLCPFY-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015607461 650590816 /nfs/dbraw/zinc/59/08/16/650590816.db2.gz KXSKWZKKPLCPFY-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607461 650590817 /nfs/dbraw/zinc/59/08/17/650590817.db2.gz KXSKWZKKPLCPFY-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607461 650590818 /nfs/dbraw/zinc/59/08/18/650590818.db2.gz KXSKWZKKPLCPFY-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001015708697 650613001 /nfs/dbraw/zinc/61/30/01/650613001.db2.gz JTJDZUSTOGCNJF-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015708697 650613002 /nfs/dbraw/zinc/61/30/02/650613002.db2.gz JTJDZUSTOGCNJF-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015708697 650613003 /nfs/dbraw/zinc/61/30/03/650613003.db2.gz JTJDZUSTOGCNJF-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000834485426 642577027 /nfs/dbraw/zinc/57/70/27/642577027.db2.gz WPZFOPPIVFZELY-UHOFOFEASA-N 2 1 298.390 0.661 20 30 CCEDMP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[N@H+]1CCc2ccccc2C1 ZINC000834485426 642577032 /nfs/dbraw/zinc/57/70/32/642577032.db2.gz WPZFOPPIVFZELY-UHOFOFEASA-N 2 1 298.390 0.661 20 30 CCEDMP C[C@@H]1C[C@H](N(C)C(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1C ZINC000852870434 644034203 /nfs/dbraw/zinc/03/42/03/644034203.db2.gz OGLGDLJMKZZDLJ-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000852875337 644036647 /nfs/dbraw/zinc/03/66/47/644036647.db2.gz IKTFRJATJQSAEQ-NZXMKCKXSA-N 2 1 280.278 0.192 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001020240045 651051546 /nfs/dbraw/zinc/05/15/46/651051546.db2.gz SQYUDFPNRBSRHN-JHJVBQTASA-N 2 1 272.352 0.631 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC=C)C1 ZINC001020250647 651052906 /nfs/dbraw/zinc/05/29/06/651052906.db2.gz KNXLUMPWUDTWTC-IHRRRGAJSA-N 2 1 261.369 0.507 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC=C)C1 ZINC001020250647 651052907 /nfs/dbraw/zinc/05/29/07/651052907.db2.gz KNXLUMPWUDTWTC-IHRRRGAJSA-N 2 1 261.369 0.507 20 30 CCEDMP CC(C)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303707288 649823976 /nfs/dbraw/zinc/82/39/76/649823976.db2.gz MDVIBRXZBPDUKB-UHFFFAOYSA-N 2 1 256.394 0.659 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCSCC1 ZINC000303709098 649824127 /nfs/dbraw/zinc/82/41/27/649824127.db2.gz NQTIEIQXCKCHPN-NSHDSACASA-N 2 1 256.419 0.834 20 30 CCEDMP CCn1cnnc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303900008 649826963 /nfs/dbraw/zinc/82/69/63/649826963.db2.gz RYFGIFDNFGUFRE-NSHDSACASA-N 2 1 279.392 0.187 20 30 CCEDMP CC#CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266284545 790403197 /nfs/dbraw/zinc/40/31/97/790403197.db2.gz FYHVNKFMOIJHMD-ZDUSSCGKSA-N 2 1 253.390 0.644 20 30 CCEDMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001266415177 790660753 /nfs/dbraw/zinc/66/07/53/790660753.db2.gz RNIBWWRVVOMRBE-HUUCEWRRSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266667176 791103855 /nfs/dbraw/zinc/10/38/55/791103855.db2.gz SNUCUZCGBFJLCI-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266667176 791103862 /nfs/dbraw/zinc/10/38/62/791103862.db2.gz SNUCUZCGBFJLCI-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266667178 791104557 /nfs/dbraw/zinc/10/45/57/791104557.db2.gz SNUCUZCGBFJLCI-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266667178 791104563 /nfs/dbraw/zinc/10/45/63/791104563.db2.gz SNUCUZCGBFJLCI-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)Cc2cncn2C)C1 ZINC001266767432 791224315 /nfs/dbraw/zinc/22/43/15/791224315.db2.gz NLHRQLSQJARFME-CQSZACIVSA-N 2 1 288.395 0.814 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038137908 791252270 /nfs/dbraw/zinc/25/22/70/791252270.db2.gz SOHQFUFHTCOIAY-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038137908 791252278 /nfs/dbraw/zinc/25/22/78/791252278.db2.gz SOHQFUFHTCOIAY-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038137908 791252286 /nfs/dbraw/zinc/25/22/86/791252286.db2.gz SOHQFUFHTCOIAY-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038137908 791252294 /nfs/dbraw/zinc/25/22/94/791252294.db2.gz SOHQFUFHTCOIAY-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001279235273 791705597 /nfs/dbraw/zinc/70/55/97/791705597.db2.gz ATDLNRICTZIERS-XSCHDIRWSA-N 2 1 277.412 0.929 20 30 CCEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001277822922 806162361 /nfs/dbraw/zinc/16/23/61/806162361.db2.gz HONDSOZQLFNXPO-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[N@@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267241734 793228840 /nfs/dbraw/zinc/22/88/40/793228840.db2.gz JELBCQWACVXDMU-AWEZNQCLSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246034704 807128427 /nfs/dbraw/zinc/12/84/27/807128427.db2.gz XULGMPLAOKCBLV-ZIAGYGMSSA-N 2 1 252.358 0.215 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246034704 807128431 /nfs/dbraw/zinc/12/84/31/807128431.db2.gz XULGMPLAOKCBLV-ZIAGYGMSSA-N 2 1 252.358 0.215 20 30 CCEDMP COc1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)ccc1C#N ZINC001234989630 806336470 /nfs/dbraw/zinc/33/64/70/806336470.db2.gz AWXKQBRVRZAAMI-INIZCTEOSA-N 2 1 286.379 0.704 20 30 CCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001278106435 806676538 /nfs/dbraw/zinc/67/65/38/806676538.db2.gz ZEFOPEIBTFVLHV-CABCVRRESA-N 2 1 295.427 0.197 20 30 CCEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001278139986 806714005 /nfs/dbraw/zinc/71/40/05/806714005.db2.gz XGSJVYTWYKWGMX-MELADBBJSA-N 2 1 283.416 0.360 20 30 CCEDMP C#CC[NH2+]CC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001121914497 799091839 /nfs/dbraw/zinc/09/18/39/799091839.db2.gz VJCRTGOUQZSGJD-ZDUSSCGKSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]CC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001121914497 799091846 /nfs/dbraw/zinc/09/18/46/799091846.db2.gz VJCRTGOUQZSGJD-ZDUSSCGKSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]CC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC001122115339 799147475 /nfs/dbraw/zinc/14/74/75/799147475.db2.gz WVSGTYFHOJMCON-LBPRGKRZSA-N 2 1 257.337 0.373 20 30 CCEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177933 799162204 /nfs/dbraw/zinc/16/22/04/799162204.db2.gz OBMPPUPTPVUUKQ-DPGVGJJJSA-N 2 1 289.423 0.978 20 30 CCEDMP C=CCC[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001202953587 799826002 /nfs/dbraw/zinc/82/60/02/799826002.db2.gz FCDQTVOCFBSSHB-UHFFFAOYSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001150318848 800329431 /nfs/dbraw/zinc/32/94/31/800329431.db2.gz VDBIKUARNVVDDZ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001150318848 800329434 /nfs/dbraw/zinc/32/94/34/800329434.db2.gz VDBIKUARNVVDDZ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001150318848 800329443 /nfs/dbraw/zinc/32/94/43/800329443.db2.gz VDBIKUARNVVDDZ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150587132 800349812 /nfs/dbraw/zinc/34/98/12/800349812.db2.gz FCWOOSZAEQSBBP-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150587132 800349818 /nfs/dbraw/zinc/34/98/18/800349818.db2.gz FCWOOSZAEQSBBP-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150587132 800349824 /nfs/dbraw/zinc/34/98/24/800349824.db2.gz FCWOOSZAEQSBBP-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151122946 800403025 /nfs/dbraw/zinc/40/30/25/800403025.db2.gz XJCBHTDJAVZUAI-UHFFFAOYSA-N 2 1 250.346 0.864 20 30 CCEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154345360 800764467 /nfs/dbraw/zinc/76/44/67/800764467.db2.gz ZOFQGYPISPQHKQ-CYBMUJFWSA-N 2 1 262.357 0.651 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154345360 800764474 /nfs/dbraw/zinc/76/44/74/800764474.db2.gz ZOFQGYPISPQHKQ-CYBMUJFWSA-N 2 1 262.357 0.651 20 30 CCEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157014338 801288642 /nfs/dbraw/zinc/28/86/42/801288642.db2.gz XVVMQSQYLDYDLU-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157014338 801288644 /nfs/dbraw/zinc/28/86/44/801288644.db2.gz XVVMQSQYLDYDLU-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001157014338 801288646 /nfs/dbraw/zinc/28/86/46/801288646.db2.gz XVVMQSQYLDYDLU-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001157014338 801288649 /nfs/dbraw/zinc/28/86/49/801288649.db2.gz XVVMQSQYLDYDLU-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158029746 801556393 /nfs/dbraw/zinc/55/63/93/801556393.db2.gz KXBCWIONYNLHCO-KBPBESRZSA-N 2 1 263.385 0.590 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158505659 801660502 /nfs/dbraw/zinc/66/05/02/801660502.db2.gz FFLOPXXWNAMOJC-ZIAGYGMSSA-N 2 1 281.400 0.522 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001159902307 801886614 /nfs/dbraw/zinc/88/66/14/801886614.db2.gz XSTMHGARRZUYHB-CQSZACIVSA-N 2 1 265.401 0.978 20 30 CCEDMP C[NH+]1CCC(C#N)(Nc2ncnc3c2CC[NH2+]C3)CC1 ZINC001162227053 802293199 /nfs/dbraw/zinc/29/31/99/802293199.db2.gz JGCLZNLNAAUNSA-UHFFFAOYSA-N 2 1 272.356 0.522 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164539276 802759507 /nfs/dbraw/zinc/75/95/07/802759507.db2.gz VQNPGUXYRXQLSW-CYBMUJFWSA-N 2 1 269.389 0.378 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001166706794 802943447 /nfs/dbraw/zinc/94/34/47/802943447.db2.gz ADBAFRSMHXWBOO-CQSZACIVSA-N 2 1 288.395 0.873 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001268257999 812425810 /nfs/dbraw/zinc/42/58/10/812425810.db2.gz ZKHLFIRPJCYHCJ-CYBMUJFWSA-N 2 1 251.374 0.352 20 30 CCEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268257999 812425816 /nfs/dbraw/zinc/42/58/16/812425816.db2.gz ZKHLFIRPJCYHCJ-CYBMUJFWSA-N 2 1 251.374 0.352 20 30 CCEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268257999 812425824 /nfs/dbraw/zinc/42/58/24/812425824.db2.gz ZKHLFIRPJCYHCJ-CYBMUJFWSA-N 2 1 251.374 0.352 20 30 CCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001028995790 813734883 /nfs/dbraw/zinc/73/48/83/813734883.db2.gz URSXQCQQJKXZTG-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001028995790 813734891 /nfs/dbraw/zinc/73/48/91/813734891.db2.gz URSXQCQQJKXZTG-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028995790 813734898 /nfs/dbraw/zinc/73/48/98/813734898.db2.gz URSXQCQQJKXZTG-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028995790 813734901 /nfs/dbraw/zinc/73/49/01/813734901.db2.gz URSXQCQQJKXZTG-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206872374 803295528 /nfs/dbraw/zinc/29/55/28/803295528.db2.gz ASGCOLBFHLMJBM-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447669 803513882 /nfs/dbraw/zinc/51/38/82/803513882.db2.gz KRAUNACKRJTCAL-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCCC[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001209266521 803585364 /nfs/dbraw/zinc/58/53/64/803585364.db2.gz UYUACFVQWMWOJM-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446523 803694598 /nfs/dbraw/zinc/69/45/98/803694598.db2.gz OHGNEOKXXKHWKZ-ZIAGYGMSSA-N 2 1 295.427 0.413 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446523 803694601 /nfs/dbraw/zinc/69/46/01/803694601.db2.gz OHGNEOKXXKHWKZ-ZIAGYGMSSA-N 2 1 295.427 0.413 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446523 803694606 /nfs/dbraw/zinc/69/46/06/803694606.db2.gz OHGNEOKXXKHWKZ-ZIAGYGMSSA-N 2 1 295.427 0.413 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446523 803694608 /nfs/dbraw/zinc/69/46/08/803694608.db2.gz OHGNEOKXXKHWKZ-ZIAGYGMSSA-N 2 1 295.427 0.413 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001216514284 803840985 /nfs/dbraw/zinc/84/09/85/803840985.db2.gz CPBMRKUNIIJNQP-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754148 803855463 /nfs/dbraw/zinc/85/54/63/803855463.db2.gz JFKSSTXQRNYQKT-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798341 804425721 /nfs/dbraw/zinc/42/57/21/804425721.db2.gz JJPVVXGZDSAHPM-OLZOCXBDSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798341 804425724 /nfs/dbraw/zinc/42/57/24/804425724.db2.gz JJPVVXGZDSAHPM-OLZOCXBDSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219904906 804444888 /nfs/dbraw/zinc/44/48/88/804444888.db2.gz NYIKZKZWAFDNRW-OLZOCXBDSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219904906 804444892 /nfs/dbraw/zinc/44/48/92/804444892.db2.gz NYIKZKZWAFDNRW-OLZOCXBDSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219904906 804444897 /nfs/dbraw/zinc/44/48/97/804444897.db2.gz NYIKZKZWAFDNRW-OLZOCXBDSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001220977826 804712404 /nfs/dbraw/zinc/71/24/04/804712404.db2.gz DGPMVFYFLFJJMA-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220977826 804712410 /nfs/dbraw/zinc/71/24/10/804712410.db2.gz DGPMVFYFLFJJMA-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220977826 804712417 /nfs/dbraw/zinc/71/24/17/804712417.db2.gz DGPMVFYFLFJJMA-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cn1 ZINC001222094458 804867541 /nfs/dbraw/zinc/86/75/41/804867541.db2.gz GMLVVUGDPJUTQV-UHFFFAOYSA-N 2 1 271.368 0.481 20 30 CCEDMP N#Cc1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)ccn1 ZINC001222104795 804869910 /nfs/dbraw/zinc/86/99/10/804869910.db2.gz LDDYVCNWJBCDDZ-UHFFFAOYSA-N 2 1 271.368 0.481 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)NCCCC[N@@H+](C)C1CC1 ZINC001229712833 805551356 /nfs/dbraw/zinc/55/13/56/805551356.db2.gz HTIHNJKPGVMMNJ-UHFFFAOYSA-N 2 1 280.416 0.725 20 30 CCEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246578674 807299625 /nfs/dbraw/zinc/29/96/25/807299625.db2.gz HEKQDZSMTPJMRB-TUKIKUTGSA-N 2 1 259.353 0.741 20 30 CCEDMP C=CCC[C@@H](C)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246822081 807395087 /nfs/dbraw/zinc/39/50/87/807395087.db2.gz QWEGDFZZEUHESR-CQSZACIVSA-N 2 1 254.422 0.426 20 30 CCEDMP C#CCOC[C@@H](O)C[NH2+]CCC[N@H+](C)CCCC ZINC001251885358 807735084 /nfs/dbraw/zinc/73/50/84/807735084.db2.gz TYVMRGCFBITAOS-AWEZNQCLSA-N 2 1 256.390 0.709 20 30 CCEDMP CC(C)C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)C(=O)NO ZINC001254514195 808252137 /nfs/dbraw/zinc/25/21/37/808252137.db2.gz JJCCWPDCGCHYKB-NEPJUHHUSA-N 2 1 257.378 0.980 20 30 CCEDMP CC(C)C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)C(=O)NO ZINC001254514195 808252140 /nfs/dbraw/zinc/25/21/40/808252140.db2.gz JJCCWPDCGCHYKB-NEPJUHHUSA-N 2 1 257.378 0.980 20 30 CCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278922393 808485878 /nfs/dbraw/zinc/48/58/78/808485878.db2.gz DVEQPDLUHSGZNE-AWEZNQCLSA-N 2 1 295.427 0.457 20 30 CCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001278922393 808485883 /nfs/dbraw/zinc/48/58/83/808485883.db2.gz DVEQPDLUHSGZNE-AWEZNQCLSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524118 815210863 /nfs/dbraw/zinc/21/08/63/815210863.db2.gz IKWRQEMJZQWFEQ-ZNMIVQPWSA-N 2 1 295.427 0.597 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524118 815210866 /nfs/dbraw/zinc/21/08/66/815210866.db2.gz IKWRQEMJZQWFEQ-ZNMIVQPWSA-N 2 1 295.427 0.597 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524118 815210871 /nfs/dbraw/zinc/21/08/71/815210871.db2.gz IKWRQEMJZQWFEQ-ZNMIVQPWSA-N 2 1 295.427 0.597 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524118 815210875 /nfs/dbraw/zinc/21/08/75/815210875.db2.gz IKWRQEMJZQWFEQ-ZNMIVQPWSA-N 2 1 295.427 0.597 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001263910533 809605948 /nfs/dbraw/zinc/60/59/48/809605948.db2.gz DDJZUJMPDIPLPP-UONOGXRCSA-N 2 1 274.368 0.699 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCOC)C1 ZINC001265435645 809778333 /nfs/dbraw/zinc/77/83/33/809778333.db2.gz OAMDGSVOFKHNFM-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCOC)C1 ZINC001265435645 809778337 /nfs/dbraw/zinc/77/83/37/809778337.db2.gz OAMDGSVOFKHNFM-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001265974745 809908749 /nfs/dbraw/zinc/90/87/49/809908749.db2.gz ZQOCGRHOIJUBHI-UHFFFAOYSA-N 2 1 251.374 0.544 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266224927 809966053 /nfs/dbraw/zinc/96/60/53/809966053.db2.gz GMTJDISLJBBLRC-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001279396001 809977193 /nfs/dbraw/zinc/97/71/93/809977193.db2.gz PUIZAXBYJQOYML-GASCZTMLSA-N 2 1 295.427 0.531 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001038263854 811091500 /nfs/dbraw/zinc/09/15/00/811091500.db2.gz AIUGSRJGRWLJAS-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038263854 811091504 /nfs/dbraw/zinc/09/15/04/811091504.db2.gz AIUGSRJGRWLJAS-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038263854 811091515 /nfs/dbraw/zinc/09/15/15/811091515.db2.gz AIUGSRJGRWLJAS-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267558602 811442989 /nfs/dbraw/zinc/44/29/89/811442989.db2.gz CMVRZJJEODCIAY-HOCLYGCPSA-N 2 1 289.423 0.790 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC(C)C ZINC001038366764 811791913 /nfs/dbraw/zinc/79/19/13/811791913.db2.gz JCGPLSHBBUWJKY-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH2+][C@H](CC)CNC(=O)Cn1c[nH+]cc1C ZINC001267811457 811807465 /nfs/dbraw/zinc/80/74/65/811807465.db2.gz KJHBKJBLDJTHGD-CYBMUJFWSA-N 2 1 262.357 0.699 20 30 CCEDMP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001268028641 812015484 /nfs/dbraw/zinc/01/54/84/812015484.db2.gz KSLMYMFORHUMKC-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001268028641 812015493 /nfs/dbraw/zinc/01/54/93/812015493.db2.gz KSLMYMFORHUMKC-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001268028641 812015496 /nfs/dbraw/zinc/01/54/96/812015496.db2.gz KSLMYMFORHUMKC-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@@H](C)F ZINC001268689813 813012424 /nfs/dbraw/zinc/01/24/24/813012424.db2.gz CEYCCMAHRWCZMA-RDBSUJKOSA-N 2 1 283.391 0.926 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@@H](C)F ZINC001268689813 813012429 /nfs/dbraw/zinc/01/24/29/813012429.db2.gz CEYCCMAHRWCZMA-RDBSUJKOSA-N 2 1 283.391 0.926 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001268879518 813130352 /nfs/dbraw/zinc/13/03/52/813130352.db2.gz RZXISONFMPGWFG-ZDUSSCGKSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC)C1CC1 ZINC001269080047 813207060 /nfs/dbraw/zinc/20/70/60/813207060.db2.gz XETNBDPXHWODMH-CABCVRRESA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC)C1CC1 ZINC001269080047 813207062 /nfs/dbraw/zinc/20/70/62/813207062.db2.gz XETNBDPXHWODMH-CABCVRRESA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001269138247 813235925 /nfs/dbraw/zinc/23/59/25/813235925.db2.gz DGHKKPHGGYHSLU-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001269138247 813235927 /nfs/dbraw/zinc/23/59/27/813235927.db2.gz DGHKKPHGGYHSLU-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001269867160 813537915 /nfs/dbraw/zinc/53/79/15/813537915.db2.gz SUZOXVMQAZBQOQ-UHFFFAOYSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001270051617 813602973 /nfs/dbraw/zinc/60/29/73/813602973.db2.gz ZJQZFUVBVVXSEJ-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028983567 813723283 /nfs/dbraw/zinc/72/32/83/813723283.db2.gz CZAYKQYBRJCWST-KGLIPLIRSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028983567 813723289 /nfs/dbraw/zinc/72/32/89/813723289.db2.gz CZAYKQYBRJCWST-KGLIPLIRSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028983567 813723292 /nfs/dbraw/zinc/72/32/92/813723292.db2.gz CZAYKQYBRJCWST-KGLIPLIRSA-N 2 1 265.401 0.952 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001028997763 813739320 /nfs/dbraw/zinc/73/93/20/813739320.db2.gz ZKPBEGVABNRVCG-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028997763 813739324 /nfs/dbraw/zinc/73/93/24/813739324.db2.gz ZKPBEGVABNRVCG-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028997763 813739327 /nfs/dbraw/zinc/73/93/27/813739327.db2.gz ZKPBEGVABNRVCG-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028997763 813739330 /nfs/dbraw/zinc/73/93/30/813739330.db2.gz ZKPBEGVABNRVCG-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028997763 813739333 /nfs/dbraw/zinc/73/93/33/813739333.db2.gz ZKPBEGVABNRVCG-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001029002911 813744025 /nfs/dbraw/zinc/74/40/25/813744025.db2.gz DKTRPTFLHPMOHX-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001029002911 813744030 /nfs/dbraw/zinc/74/40/30/813744030.db2.gz DKTRPTFLHPMOHX-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001029002911 813744034 /nfs/dbraw/zinc/74/40/34/813744034.db2.gz DKTRPTFLHPMOHX-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920414 814271809 /nfs/dbraw/zinc/27/18/09/814271809.db2.gz NVNJKQXSOOVMTQ-ILXRZTDVSA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920414 814271813 /nfs/dbraw/zinc/27/18/13/814271813.db2.gz NVNJKQXSOOVMTQ-ILXRZTDVSA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920414 814271824 /nfs/dbraw/zinc/27/18/24/814271824.db2.gz NVNJKQXSOOVMTQ-ILXRZTDVSA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920414 814271830 /nfs/dbraw/zinc/27/18/30/814271830.db2.gz NVNJKQXSOOVMTQ-ILXRZTDVSA-N 2 1 293.411 0.283 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088003097 814308519 /nfs/dbraw/zinc/30/85/19/814308519.db2.gz JKBCIGMDTWFQLE-PMPSAXMXSA-N 2 1 291.439 0.986 20 30 CCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001168239271 814918037 /nfs/dbraw/zinc/91/80/37/814918037.db2.gz BQVZLSWRHVTYEC-CQSZACIVSA-N 2 1 295.427 0.769 20 30 CCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168239271 814918041 /nfs/dbraw/zinc/91/80/41/814918041.db2.gz BQVZLSWRHVTYEC-CQSZACIVSA-N 2 1 295.427 0.769 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001168241495 814918989 /nfs/dbraw/zinc/91/89/89/814918989.db2.gz YRUCYGPAHDEUAL-AWEZNQCLSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168241495 814918998 /nfs/dbraw/zinc/91/89/98/814918998.db2.gz YRUCYGPAHDEUAL-AWEZNQCLSA-N 2 1 293.411 0.216 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668581 815640191 /nfs/dbraw/zinc/64/01/91/815640191.db2.gz WDYCKFYBTAMUMA-QLFBSQMISA-N 2 1 293.411 0.208 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668581 815640193 /nfs/dbraw/zinc/64/01/93/815640193.db2.gz WDYCKFYBTAMUMA-QLFBSQMISA-N 2 1 293.411 0.208 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001089050150 816225862 /nfs/dbraw/zinc/22/58/62/816225862.db2.gz TZUDCSKUEMBNBO-ILXRZTDVSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001089050150 816225867 /nfs/dbraw/zinc/22/58/67/816225867.db2.gz TZUDCSKUEMBNBO-ILXRZTDVSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089050150 816225870 /nfs/dbraw/zinc/22/58/70/816225870.db2.gz TZUDCSKUEMBNBO-ILXRZTDVSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089050150 816225875 /nfs/dbraw/zinc/22/58/75/816225875.db2.gz TZUDCSKUEMBNBO-ILXRZTDVSA-N 2 1 295.427 0.862 20 30 CCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046319708 816501415 /nfs/dbraw/zinc/50/14/15/816501415.db2.gz VLSCPSDLPGCSED-RDJZCZTQSA-N 2 1 289.423 0.932 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727000 816715565 /nfs/dbraw/zinc/71/55/65/816715565.db2.gz GRUZYDSRLBDJTM-XQLPTFJDSA-N 2 1 295.427 0.454 20 30 CCEDMP C#Cc1cccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234987311 816789747 /nfs/dbraw/zinc/78/97/47/816789747.db2.gz HEETZOLRPVISIW-MRXNPFEDSA-N 2 1 255.365 0.805 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665820 817230383 /nfs/dbraw/zinc/23/03/83/817230383.db2.gz INRMJWYGGHVEAS-CQSZACIVSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031665820 817230391 /nfs/dbraw/zinc/23/03/91/817230391.db2.gz INRMJWYGGHVEAS-CQSZACIVSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643807 817413342 /nfs/dbraw/zinc/41/33/42/817413342.db2.gz MJJVCDVBPZLECS-CHWSQXEVSA-N 2 1 253.390 0.999 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127700857 817469258 /nfs/dbraw/zinc/46/92/58/817469258.db2.gz FQOJOTXKOZEKSC-UONOGXRCSA-N 2 1 283.416 0.625 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780421 817860895 /nfs/dbraw/zinc/86/08/95/817860895.db2.gz YTMDQWJBYQLXDJ-QWHCGFSZSA-N 2 1 267.373 0.132 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780419 817860990 /nfs/dbraw/zinc/86/09/90/817860990.db2.gz YTMDQWJBYQLXDJ-CHWSQXEVSA-N 2 1 267.373 0.132 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033081322 818497967 /nfs/dbraw/zinc/49/79/67/818497967.db2.gz MDWARUPALPFLFJ-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033180674 818631162 /nfs/dbraw/zinc/63/11/62/818631162.db2.gz ARRXRQACPKNNCN-HZSPNIEDSA-N 2 1 281.400 0.424 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033180674 818631165 /nfs/dbraw/zinc/63/11/65/818631165.db2.gz ARRXRQACPKNNCN-HZSPNIEDSA-N 2 1 281.400 0.424 20 30 CCEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033180674 818631168 /nfs/dbraw/zinc/63/11/68/818631168.db2.gz ARRXRQACPKNNCN-HZSPNIEDSA-N 2 1 281.400 0.424 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033180674 818631173 /nfs/dbraw/zinc/63/11/73/818631173.db2.gz ARRXRQACPKNNCN-HZSPNIEDSA-N 2 1 281.400 0.424 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594865 818843659 /nfs/dbraw/zinc/84/36/59/818843659.db2.gz RTUJVJBQGUSCTQ-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033666814 818875427 /nfs/dbraw/zinc/87/54/27/818875427.db2.gz ZTDNYDNJGLKCKD-ZDUSSCGKSA-N 2 1 251.374 0.801 20 30 CCEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034395642 819193471 /nfs/dbraw/zinc/19/34/71/819193471.db2.gz AKGMAXUOUCJITB-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034395642 819193475 /nfs/dbraw/zinc/19/34/75/819193475.db2.gz AKGMAXUOUCJITB-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034395642 819193481 /nfs/dbraw/zinc/19/34/81/819193481.db2.gz AKGMAXUOUCJITB-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951544 820492642 /nfs/dbraw/zinc/49/26/42/820492642.db2.gz SNZHUUPJJNOGIO-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951544 820492645 /nfs/dbraw/zinc/49/26/45/820492645.db2.gz SNZHUUPJJNOGIO-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079951544 820492652 /nfs/dbraw/zinc/49/26/52/820492652.db2.gz SNZHUUPJJNOGIO-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079951544 820492657 /nfs/dbraw/zinc/49/26/57/820492657.db2.gz SNZHUUPJJNOGIO-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080935108 820658539 /nfs/dbraw/zinc/65/85/39/820658539.db2.gz KURNNILOXYXFOV-HZSPNIEDSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080935108 820658543 /nfs/dbraw/zinc/65/85/43/820658543.db2.gz KURNNILOXYXFOV-HZSPNIEDSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080935108 820658548 /nfs/dbraw/zinc/65/85/48/820658548.db2.gz KURNNILOXYXFOV-HZSPNIEDSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083024299 821112459 /nfs/dbraw/zinc/11/24/59/821112459.db2.gz JODHRQKVZLANQB-QLFBSQMISA-N 2 1 291.395 0.016 20 30 CCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083024299 821112463 /nfs/dbraw/zinc/11/24/63/821112463.db2.gz JODHRQKVZLANQB-QLFBSQMISA-N 2 1 291.395 0.016 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083024299 821112469 /nfs/dbraw/zinc/11/24/69/821112469.db2.gz JODHRQKVZLANQB-QLFBSQMISA-N 2 1 291.395 0.016 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083024299 821112477 /nfs/dbraw/zinc/11/24/77/821112477.db2.gz JODHRQKVZLANQB-QLFBSQMISA-N 2 1 291.395 0.016 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166626953 821232858 /nfs/dbraw/zinc/23/28/58/821232858.db2.gz MZMJLQRRPJKDDG-CQSZACIVSA-N 2 1 283.416 0.769 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001085518328 821764620 /nfs/dbraw/zinc/76/46/20/821764620.db2.gz OZQOUNPWUYFCOF-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001085518328 821764625 /nfs/dbraw/zinc/76/46/25/821764625.db2.gz OZQOUNPWUYFCOF-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001085518328 821764633 /nfs/dbraw/zinc/76/46/33/821764633.db2.gz OZQOUNPWUYFCOF-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001086197755 822151787 /nfs/dbraw/zinc/15/17/87/822151787.db2.gz ZMGQXNLJQYDZTP-IGQOVBAYSA-N 2 1 263.385 0.302 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076767 822236568 /nfs/dbraw/zinc/23/65/68/822236568.db2.gz QWLRWLDZEAYYIM-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129422349 837504797 /nfs/dbraw/zinc/50/47/97/837504797.db2.gz HRBPOSNIACFASA-AWEZNQCLSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183647458 844054219 /nfs/dbraw/zinc/05/42/19/844054219.db2.gz IJPQMMPGXHLRJX-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169992574 836653935 /nfs/dbraw/zinc/65/39/35/836653935.db2.gz XFXHYXUZHVUQSW-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169992574 836653937 /nfs/dbraw/zinc/65/39/37/836653937.db2.gz XFXHYXUZHVUQSW-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157013007 836761868 /nfs/dbraw/zinc/76/18/68/836761868.db2.gz DAJMJSATRFSNGL-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157013007 836761873 /nfs/dbraw/zinc/76/18/73/836761873.db2.gz DAJMJSATRFSNGL-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001157013007 836761875 /nfs/dbraw/zinc/76/18/75/836761875.db2.gz DAJMJSATRFSNGL-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001157013007 836761879 /nfs/dbraw/zinc/76/18/79/836761879.db2.gz DAJMJSATRFSNGL-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090490054 837889304 /nfs/dbraw/zinc/88/93/04/837889304.db2.gz QIZYVXMVYPPRPP-KBPBESRZSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090490054 837889314 /nfs/dbraw/zinc/88/93/14/837889314.db2.gz QIZYVXMVYPPRPP-KBPBESRZSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001086658937 838004729 /nfs/dbraw/zinc/00/47/29/838004729.db2.gz FWHDRUMAZOERPB-BFHYXJOUSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132264762 838348206 /nfs/dbraw/zinc/34/82/06/838348206.db2.gz BCMMLUHMFOBSFB-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185158201 844349866 /nfs/dbraw/zinc/34/98/66/844349866.db2.gz POKAKTMGSZGHHP-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133831743 838731009 /nfs/dbraw/zinc/73/10/09/838731009.db2.gz UNIBVIIFQQGSQG-LLVKDONJSA-N 2 1 259.781 0.929 20 30 CCEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001133870610 838751614 /nfs/dbraw/zinc/75/16/14/838751614.db2.gz UXNQXLBFLFJXMB-NVXWUHKLSA-N 2 1 299.418 0.942 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133872934 838764021 /nfs/dbraw/zinc/76/40/21/838764021.db2.gz HTTJJHPSYNHOIL-ZDUSSCGKSA-N 2 1 274.368 0.483 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135304724 839203709 /nfs/dbraw/zinc/20/37/09/839203709.db2.gz AEFZDYVXNXLSOF-UHFFFAOYSA-N 2 1 262.357 0.701 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877889 840710209 /nfs/dbraw/zinc/71/02/09/840710209.db2.gz OWIUPVPYTBGBHI-NSHDSACASA-N 2 1 259.781 0.787 20 30 CCEDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC#CCOC ZINC001148570642 840832733 /nfs/dbraw/zinc/83/27/33/840832733.db2.gz JIHQNUATPMOFHC-UHFFFAOYSA-N 2 1 269.389 0.074 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CN(C)CCO2)[C@H](C)C1 ZINC001092521593 841033684 /nfs/dbraw/zinc/03/36/84/841033684.db2.gz AAFZEBAFEDYRKV-MGPQQGTHSA-N 2 1 281.400 0.187 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521593 841033687 /nfs/dbraw/zinc/03/36/87/841033687.db2.gz AAFZEBAFEDYRKV-MGPQQGTHSA-N 2 1 281.400 0.187 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092521593 841033692 /nfs/dbraw/zinc/03/36/92/841033692.db2.gz AAFZEBAFEDYRKV-MGPQQGTHSA-N 2 1 281.400 0.187 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092521593 841033694 /nfs/dbraw/zinc/03/36/94/841033694.db2.gz AAFZEBAFEDYRKV-MGPQQGTHSA-N 2 1 281.400 0.187 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092521593 841033699 /nfs/dbraw/zinc/03/36/99/841033699.db2.gz AAFZEBAFEDYRKV-MGPQQGTHSA-N 2 1 281.400 0.187 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194630 842089290 /nfs/dbraw/zinc/08/92/90/842089290.db2.gz UUJXAZVTKWTKHC-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194630 842089279 /nfs/dbraw/zinc/08/92/79/842089279.db2.gz UUJXAZVTKWTKHC-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176644585 842392718 /nfs/dbraw/zinc/39/27/18/842392718.db2.gz XDTHKZMNPKUEDH-CQSZACIVSA-N 2 1 283.416 0.769 20 30 CCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176644585 842392731 /nfs/dbraw/zinc/39/27/31/842392731.db2.gz XDTHKZMNPKUEDH-CQSZACIVSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1(O)CC[NH+](C)CC1 ZINC001182036056 843686197 /nfs/dbraw/zinc/68/61/97/843686197.db2.gz KEEHQRRDYZCZJS-ZDUSSCGKSA-N 2 1 281.400 0.210 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221908 845357703 /nfs/dbraw/zinc/35/77/03/845357703.db2.gz SOHNZKJFRAPTRY-HOTGVXAUSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191376493 845643594 /nfs/dbraw/zinc/64/35/94/845643594.db2.gz QUYLHIQUCUGZHQ-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191376493 845643598 /nfs/dbraw/zinc/64/35/98/845643598.db2.gz QUYLHIQUCUGZHQ-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193488198 846092777 /nfs/dbraw/zinc/09/27/77/846092777.db2.gz MMKKRYZCTJFVHU-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001194996799 846438561 /nfs/dbraw/zinc/43/85/61/846438561.db2.gz HGYLTHGKICSQNX-ZIAGYGMSSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001194996799 846438565 /nfs/dbraw/zinc/43/85/65/846438565.db2.gz HGYLTHGKICSQNX-ZIAGYGMSSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197050061 846832620 /nfs/dbraw/zinc/83/26/20/846832620.db2.gz VBPQEAPSVOOSIH-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197512009 846926465 /nfs/dbraw/zinc/92/64/65/846926465.db2.gz UDBKCNDQNUFHQV-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001197512009 846926477 /nfs/dbraw/zinc/92/64/77/846926477.db2.gz UDBKCNDQNUFHQV-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111756 847234084 /nfs/dbraw/zinc/23/40/84/847234084.db2.gz KSOLNUHHJQJMKU-ZIAGYGMSSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111756 847234096 /nfs/dbraw/zinc/23/40/96/847234096.db2.gz KSOLNUHHJQJMKU-ZIAGYGMSSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111756 847234105 /nfs/dbraw/zinc/23/41/05/847234105.db2.gz KSOLNUHHJQJMKU-ZIAGYGMSSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201800742 847813578 /nfs/dbraw/zinc/81/35/78/847813578.db2.gz PCLOXCLPFBKVLN-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001202504656 848003463 /nfs/dbraw/zinc/00/34/63/848003463.db2.gz VHDFPFXBXKCFJW-DZGCQCFKSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998551 848119157 /nfs/dbraw/zinc/11/91/57/848119157.db2.gz WGBMSIXHMISMOU-MGPQQGTHSA-N 2 1 283.416 0.718 20 30 CCEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998551 848119160 /nfs/dbraw/zinc/11/91/60/848119160.db2.gz WGBMSIXHMISMOU-MGPQQGTHSA-N 2 1 283.416 0.718 20 30 CCEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998551 848119164 /nfs/dbraw/zinc/11/91/64/848119164.db2.gz WGBMSIXHMISMOU-MGPQQGTHSA-N 2 1 283.416 0.718 20 30 CCEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998551 848119170 /nfs/dbraw/zinc/11/91/70/848119170.db2.gz WGBMSIXHMISMOU-MGPQQGTHSA-N 2 1 283.416 0.718 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001274719956 848550944 /nfs/dbraw/zinc/55/09/44/848550944.db2.gz LPGGNSQCZCSZGM-MELADBBJSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCOC ZINC001275184963 848659079 /nfs/dbraw/zinc/65/90/79/848659079.db2.gz LCHGMCLAHKVXQR-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCOC ZINC001275184963 848659085 /nfs/dbraw/zinc/65/90/85/848659085.db2.gz LCHGMCLAHKVXQR-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001275720708 848799826 /nfs/dbraw/zinc/79/98/26/848799826.db2.gz LORIILDPRYJQRI-STQMWFEESA-N 2 1 253.390 0.951 20 30 CCEDMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001275720708 848799833 /nfs/dbraw/zinc/79/98/33/848799833.db2.gz LORIILDPRYJQRI-STQMWFEESA-N 2 1 253.390 0.951 20 30 CCEDMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001275720708 848799843 /nfs/dbraw/zinc/79/98/43/848799843.db2.gz LORIILDPRYJQRI-STQMWFEESA-N 2 1 253.390 0.951 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047381785 851745335 /nfs/dbraw/zinc/74/53/35/851745335.db2.gz RSFWQBSJBNWWCJ-KKUMJFAQSA-N 2 1 293.411 0.018 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047381785 851745341 /nfs/dbraw/zinc/74/53/41/851745341.db2.gz RSFWQBSJBNWWCJ-KKUMJFAQSA-N 2 1 293.411 0.018 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001047401168 851749993 /nfs/dbraw/zinc/74/99/93/851749993.db2.gz GTDCYEBTVKZIIM-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001047401168 851749999 /nfs/dbraw/zinc/74/99/99/851749999.db2.gz GTDCYEBTVKZIIM-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001047401168 851750004 /nfs/dbraw/zinc/75/00/04/851750004.db2.gz GTDCYEBTVKZIIM-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001047401168 851750007 /nfs/dbraw/zinc/75/00/07/851750007.db2.gz GTDCYEBTVKZIIM-KKUMJFAQSA-N 2 1 295.427 0.550 20 30 CCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047626896 851838329 /nfs/dbraw/zinc/83/83/29/851838329.db2.gz IHLNKRWYNRBFRW-IHRRRGAJSA-N 2 1 281.400 0.018 20 30 CCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047626896 851838343 /nfs/dbraw/zinc/83/83/43/851838343.db2.gz IHLNKRWYNRBFRW-IHRRRGAJSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047628997 851841519 /nfs/dbraw/zinc/84/15/19/851841519.db2.gz OCMFNTDKGIOUSI-IHRRRGAJSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047628997 851841527 /nfs/dbraw/zinc/84/15/27/851841527.db2.gz OCMFNTDKGIOUSI-IHRRRGAJSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047628997 851841537 /nfs/dbraw/zinc/84/15/37/851841537.db2.gz OCMFNTDKGIOUSI-IHRRRGAJSA-N 2 1 281.400 0.018 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049213169 852193270 /nfs/dbraw/zinc/19/32/70/852193270.db2.gz IWCSICGRJASLDA-SOUVJXGZSA-N 2 1 277.412 0.904 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213169 852193277 /nfs/dbraw/zinc/19/32/77/852193277.db2.gz IWCSICGRJASLDA-SOUVJXGZSA-N 2 1 277.412 0.904 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213169 852193282 /nfs/dbraw/zinc/19/32/82/852193282.db2.gz IWCSICGRJASLDA-SOUVJXGZSA-N 2 1 277.412 0.904 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001049889610 852390108 /nfs/dbraw/zinc/39/01/08/852390108.db2.gz HHSJAKZGHURKRD-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001049889610 852390115 /nfs/dbraw/zinc/39/01/15/852390115.db2.gz HHSJAKZGHURKRD-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001049889610 852390125 /nfs/dbraw/zinc/39/01/25/852390125.db2.gz HHSJAKZGHURKRD-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001054007805 852866586 /nfs/dbraw/zinc/86/65/86/852866586.db2.gz MUUGHEYBGQYJIW-ZIAGYGMSSA-N 2 1 293.411 0.474 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001054007805 852866593 /nfs/dbraw/zinc/86/65/93/852866593.db2.gz MUUGHEYBGQYJIW-ZIAGYGMSSA-N 2 1 293.411 0.474 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]C(C)C)C1 ZINC001051659997 853618595 /nfs/dbraw/zinc/61/85/95/853618595.db2.gz IPASUVJBWAYGIA-GJZGRUSLSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]C(C)C)C1 ZINC001051659997 853618598 /nfs/dbraw/zinc/61/85/98/853618598.db2.gz IPASUVJBWAYGIA-GJZGRUSLSA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052276927 853723678 /nfs/dbraw/zinc/72/36/78/853723678.db2.gz NNFYTLWDWBEDNS-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052276927 853723685 /nfs/dbraw/zinc/72/36/85/853723685.db2.gz NNFYTLWDWBEDNS-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052276927 853723693 /nfs/dbraw/zinc/72/36/93/853723693.db2.gz NNFYTLWDWBEDNS-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052276927 853723698 /nfs/dbraw/zinc/72/36/98/853723698.db2.gz NNFYTLWDWBEDNS-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072577669 854419813 /nfs/dbraw/zinc/41/98/13/854419813.db2.gz ACXQXJXDGZZGKZ-CYBMUJFWSA-N 2 1 279.384 0.037 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072577669 854419819 /nfs/dbraw/zinc/41/98/19/854419819.db2.gz ACXQXJXDGZZGKZ-CYBMUJFWSA-N 2 1 279.384 0.037 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072577669 854419822 /nfs/dbraw/zinc/41/98/22/854419822.db2.gz ACXQXJXDGZZGKZ-CYBMUJFWSA-N 2 1 279.384 0.037 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072577669 854419826 /nfs/dbraw/zinc/41/98/26/854419826.db2.gz ACXQXJXDGZZGKZ-CYBMUJFWSA-N 2 1 279.384 0.037 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001073077165 854525805 /nfs/dbraw/zinc/52/58/05/854525805.db2.gz IUXVYWCWKCAEKX-UHFFFAOYSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001073430797 854557717 /nfs/dbraw/zinc/55/77/17/854557717.db2.gz LCQVSEMGABVSTC-UHFFFAOYSA-N 2 1 286.379 0.749 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001073430797 854557726 /nfs/dbraw/zinc/55/77/26/854557726.db2.gz LCQVSEMGABVSTC-UHFFFAOYSA-N 2 1 286.379 0.749 20 30 CCEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073554644 854591451 /nfs/dbraw/zinc/59/14/51/854591451.db2.gz KOGLWIFENQXJOY-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073554644 854591459 /nfs/dbraw/zinc/59/14/59/854591459.db2.gz KOGLWIFENQXJOY-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073554644 854591463 /nfs/dbraw/zinc/59/14/63/854591463.db2.gz KOGLWIFENQXJOY-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073554565 854592611 /nfs/dbraw/zinc/59/26/11/854592611.db2.gz JAGDVIQIZJHYEX-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073554565 854592619 /nfs/dbraw/zinc/59/26/19/854592619.db2.gz JAGDVIQIZJHYEX-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073554565 854592627 /nfs/dbraw/zinc/59/26/27/854592627.db2.gz JAGDVIQIZJHYEX-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001098462877 854867367 /nfs/dbraw/zinc/86/73/67/854867367.db2.gz RMQYXKHVLRZZBN-ZACQAIPSSA-N 2 1 299.418 0.686 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001098462877 854867372 /nfs/dbraw/zinc/86/73/72/854867372.db2.gz RMQYXKHVLRZZBN-ZACQAIPSSA-N 2 1 299.418 0.686 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001099119263 854915575 /nfs/dbraw/zinc/91/55/75/854915575.db2.gz LPTQETWONWBDFK-ZOBUZTSGSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001099119263 854915579 /nfs/dbraw/zinc/91/55/79/854915579.db2.gz LPTQETWONWBDFK-ZOBUZTSGSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001099119263 854915582 /nfs/dbraw/zinc/91/55/82/854915582.db2.gz LPTQETWONWBDFK-ZOBUZTSGSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099878917 855015687 /nfs/dbraw/zinc/01/56/87/855015687.db2.gz BGRBTJOMOJXXPF-GJZGRUSLSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099878917 855015692 /nfs/dbraw/zinc/01/56/92/855015692.db2.gz BGRBTJOMOJXXPF-GJZGRUSLSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099878917 855015700 /nfs/dbraw/zinc/01/57/00/855015700.db2.gz BGRBTJOMOJXXPF-GJZGRUSLSA-N 2 1 295.427 0.598 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473871 855438046 /nfs/dbraw/zinc/43/80/46/855438046.db2.gz UNCYMSTWMUNSSG-ZIAGYGMSSA-N 2 1 265.401 0.646 20 30 CCEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034212 855563639 /nfs/dbraw/zinc/56/36/39/855563639.db2.gz XTEHYBZRGSIZAG-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034212 855563640 /nfs/dbraw/zinc/56/36/40/855563640.db2.gz XTEHYBZRGSIZAG-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115143981 855645863 /nfs/dbraw/zinc/64/58/63/855645863.db2.gz OOZWBXDZDNWIDF-FOLVSLTJSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115290356 855658401 /nfs/dbraw/zinc/65/84/01/855658401.db2.gz RQVGTYRXWKDMGJ-FOLVSLTJSA-N 2 1 275.396 0.542 20 30 CCEDMP COCC#CCN1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001323333456 912277576 /nfs/dbraw/zinc/27/75/76/912277576.db2.gz CRGNARHAVBLCTR-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001283832347 892458987 /nfs/dbraw/zinc/45/89/87/892458987.db2.gz UHCAQWRHHICVLH-CABCVRRESA-N 2 1 291.395 0.542 20 30 CCEDMP C#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481448030 892672658 /nfs/dbraw/zinc/67/26/58/892672658.db2.gz VBVGKRRWNRLSBY-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481448030 892672661 /nfs/dbraw/zinc/67/26/61/892672661.db2.gz VBVGKRRWNRLSBY-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481448030 892672669 /nfs/dbraw/zinc/67/26/69/892672669.db2.gz VBVGKRRWNRLSBY-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001481700141 893040464 /nfs/dbraw/zinc/04/04/64/893040464.db2.gz JTRGVEVCSYOQQD-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001481700141 893040482 /nfs/dbraw/zinc/04/04/82/893040482.db2.gz JTRGVEVCSYOQQD-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001481700141 893040504 /nfs/dbraw/zinc/04/05/04/893040504.db2.gz JTRGVEVCSYOQQD-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001481700141 893040525 /nfs/dbraw/zinc/04/05/25/893040525.db2.gz JTRGVEVCSYOQQD-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001481883909 893240653 /nfs/dbraw/zinc/24/06/53/893240653.db2.gz VVGCXXHINGAQJC-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001481883909 893240666 /nfs/dbraw/zinc/24/06/66/893240666.db2.gz VVGCXXHINGAQJC-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001482070455 893352185 /nfs/dbraw/zinc/35/21/85/893352185.db2.gz PUUDVSLZHLPSIL-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482141390 893434013 /nfs/dbraw/zinc/43/40/13/893434013.db2.gz CLENOBOJCNVBNO-KBPBESRZSA-N 2 1 265.401 0.693 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001482171318 893453780 /nfs/dbraw/zinc/45/37/80/893453780.db2.gz DUIYUJVRIPXETM-ZIAGYGMSSA-N 2 1 283.416 0.625 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001482171318 893453800 /nfs/dbraw/zinc/45/38/00/893453800.db2.gz DUIYUJVRIPXETM-ZIAGYGMSSA-N 2 1 283.416 0.625 20 30 CCEDMP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482168426 893455478 /nfs/dbraw/zinc/45/54/78/893455478.db2.gz NIBGYFHWQMNNMX-CHWSQXEVSA-N 2 1 253.390 0.856 20 30 CCEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001482570901 894254737 /nfs/dbraw/zinc/25/47/37/894254737.db2.gz PGUHUWCPMOBHRD-KBPBESRZSA-N 2 1 265.401 0.692 20 30 CCEDMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482819313 894623041 /nfs/dbraw/zinc/62/30/41/894623041.db2.gz DIZDUMOEAIHTIC-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482819313 894623047 /nfs/dbraw/zinc/62/30/47/894623047.db2.gz DIZDUMOEAIHTIC-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CC[NH2+]C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001483143127 895021741 /nfs/dbraw/zinc/02/17/41/895021741.db2.gz RHKJLBVHJXQLMS-SNVBAGLBSA-N 2 1 266.345 0.630 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001483236549 895278034 /nfs/dbraw/zinc/27/80/34/895278034.db2.gz JYZZBYCNFCZUDX-KBPBESRZSA-N 2 1 261.369 0.202 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001483236549 895278040 /nfs/dbraw/zinc/27/80/40/895278040.db2.gz JYZZBYCNFCZUDX-KBPBESRZSA-N 2 1 261.369 0.202 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001483383056 895522154 /nfs/dbraw/zinc/52/21/54/895522154.db2.gz DZTZUVQJCSQKOC-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483383056 895522158 /nfs/dbraw/zinc/52/21/58/895522158.db2.gz DZTZUVQJCSQKOC-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483383056 895522162 /nfs/dbraw/zinc/52/21/62/895522162.db2.gz DZTZUVQJCSQKOC-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CCC[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001492856507 914061717 /nfs/dbraw/zinc/06/17/17/914061717.db2.gz CQTQOCBEUNTXMM-UHFFFAOYSA-N 2 1 250.346 0.816 20 30 CCEDMP C=CCC[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001492856507 914061721 /nfs/dbraw/zinc/06/17/21/914061721.db2.gz CQTQOCBEUNTXMM-UHFFFAOYSA-N 2 1 250.346 0.816 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001484692990 896540399 /nfs/dbraw/zinc/54/03/99/896540399.db2.gz AAAIFGZVOVBYGA-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001484856666 896635420 /nfs/dbraw/zinc/63/54/20/896635420.db2.gz OQJYGZNNEGMGJC-HNNXBMFYSA-N 2 1 283.416 0.457 20 30 CCEDMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001485679126 897177721 /nfs/dbraw/zinc/17/77/21/897177721.db2.gz HGEFMVDTEHDTOO-IHRRRGAJSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001485685576 897182004 /nfs/dbraw/zinc/18/20/04/897182004.db2.gz XNYAUANYABTFKY-AAVRWANBSA-N 2 1 263.385 0.444 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485805452 897261165 /nfs/dbraw/zinc/26/11/65/897261165.db2.gz XQIZISUJIZDKEL-GJZGRUSLSA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485805452 897261177 /nfs/dbraw/zinc/26/11/77/897261177.db2.gz XQIZISUJIZDKEL-GJZGRUSLSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032603212 897812903 /nfs/dbraw/zinc/81/29/03/897812903.db2.gz RHDFDMDHPOKCSX-GJZGRUSLSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CC)CCO1 ZINC001108003971 898096112 /nfs/dbraw/zinc/09/61/12/898096112.db2.gz NEELUKUAGZNNOG-GOEBONIOSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)C[N@@H+](CC)CCO1 ZINC001108003971 898096115 /nfs/dbraw/zinc/09/61/15/898096115.db2.gz NEELUKUAGZNNOG-GOEBONIOSA-N 2 1 293.411 0.311 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078006015 898175939 /nfs/dbraw/zinc/17/59/39/898175939.db2.gz PTIDKMSYARFBEO-RBSFLKMASA-N 2 1 295.427 0.456 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032781346 898178204 /nfs/dbraw/zinc/17/82/04/898178204.db2.gz REHLHQZKVHWVAS-RDBSUJKOSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032781346 898178212 /nfs/dbraw/zinc/17/82/12/898178212.db2.gz REHLHQZKVHWVAS-RDBSUJKOSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032781346 898178215 /nfs/dbraw/zinc/17/82/15/898178215.db2.gz REHLHQZKVHWVAS-RDBSUJKOSA-N 2 1 261.369 0.247 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078178889 898275561 /nfs/dbraw/zinc/27/55/61/898275561.db2.gz IJPXXVMXFSOYPS-ZIAGYGMSSA-N 2 1 281.400 0.210 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078178889 898275574 /nfs/dbraw/zinc/27/55/74/898275574.db2.gz IJPXXVMXFSOYPS-ZIAGYGMSSA-N 2 1 281.400 0.210 20 30 CCEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001485838639 898363332 /nfs/dbraw/zinc/36/33/32/898363332.db2.gz VRIJRBKOSBZQQU-CABCVRRESA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001485838639 898363346 /nfs/dbraw/zinc/36/33/46/898363346.db2.gz VRIJRBKOSBZQQU-CABCVRRESA-N 2 1 293.411 0.167 20 30 CCEDMP C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001485996707 898583143 /nfs/dbraw/zinc/58/31/43/898583143.db2.gz RJEZPRDDZPHESL-MELADBBJSA-N 2 1 283.416 0.360 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001486149425 898687068 /nfs/dbraw/zinc/68/70/68/898687068.db2.gz WJDNHUXSWCDFRU-UKRRQHHQSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001490569870 900668327 /nfs/dbraw/zinc/66/83/27/900668327.db2.gz LGGJEGHCTWILKO-QWHCGFSZSA-N 2 1 253.390 0.949 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001322999150 901022688 /nfs/dbraw/zinc/02/26/88/901022688.db2.gz FMJOFJBAHFLXKB-MRVWCRGKSA-N 2 1 263.385 0.444 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C/Cl ZINC001491487344 903621347 /nfs/dbraw/zinc/62/13/47/903621347.db2.gz ZTUZJMHGOPADHT-JOVKLMRISA-N 2 1 283.803 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C/Cl ZINC001491487344 903621358 /nfs/dbraw/zinc/62/13/58/903621358.db2.gz ZTUZJMHGOPADHT-JOVKLMRISA-N 2 1 283.803 0.931 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001280597443 904124238 /nfs/dbraw/zinc/12/42/38/904124238.db2.gz UQJHCGWAQAWKSU-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001281193851 904240227 /nfs/dbraw/zinc/24/02/27/904240227.db2.gz VWNOTRPJOBGWCU-GDBMZVCRSA-N 2 1 295.427 0.457 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001283720426 904971256 /nfs/dbraw/zinc/97/12/56/904971256.db2.gz CHTYNEPHPXDSHU-AWEZNQCLSA-N 2 1 283.416 0.413 20 30 CCEDMP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001284016192 905117858 /nfs/dbraw/zinc/11/78/58/905117858.db2.gz XHJVDMRXSVZRJI-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316639524 905662681 /nfs/dbraw/zinc/66/26/81/905662681.db2.gz PNLZVECUUBXJEW-RBSFLKMASA-N 2 1 293.411 0.072 20 30 CCEDMP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001495860453 907522318 /nfs/dbraw/zinc/52/23/18/907522318.db2.gz PRVYUNMNVYRMBS-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001495860453 907522332 /nfs/dbraw/zinc/52/23/32/907522332.db2.gz PRVYUNMNVYRMBS-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001495860453 907522346 /nfs/dbraw/zinc/52/23/46/907522346.db2.gz PRVYUNMNVYRMBS-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492256740 907809177 /nfs/dbraw/zinc/80/91/77/907809177.db2.gz FUMFLVWFJHYUEZ-CQSZACIVSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[N@@H+](CC)CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001316905311 908829318 /nfs/dbraw/zinc/82/93/18/908829318.db2.gz RGZRCRYHRANVQD-UHFFFAOYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317011116 908914635 /nfs/dbraw/zinc/91/46/35/908914635.db2.gz JFNWEPSNVXQPRA-HUUCEWRRSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317011116 908914638 /nfs/dbraw/zinc/91/46/38/908914638.db2.gz JFNWEPSNVXQPRA-HUUCEWRRSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317327886 909145653 /nfs/dbraw/zinc/14/56/53/909145653.db2.gz YDXXBWCSTFVIHC-GFCCVEGCSA-N 2 1 292.383 0.974 20 30 CCEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317343490 909151438 /nfs/dbraw/zinc/15/14/38/909151438.db2.gz LLFOXTMACRGBGC-ZIAGYGMSSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317518082 909288456 /nfs/dbraw/zinc/28/84/56/909288456.db2.gz VDWXPMFUIXFXHD-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001317549448 909316599 /nfs/dbraw/zinc/31/65/99/909316599.db2.gz UWNAPVJSXIHKIP-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001317549448 909316615 /nfs/dbraw/zinc/31/66/15/909316615.db2.gz UWNAPVJSXIHKIP-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001317549448 909316631 /nfs/dbraw/zinc/31/66/31/909316631.db2.gz UWNAPVJSXIHKIP-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001318787763 909890229 /nfs/dbraw/zinc/89/02/29/909890229.db2.gz HIAQPHRWDOFHNR-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001318787763 909890237 /nfs/dbraw/zinc/89/02/37/909890237.db2.gz HIAQPHRWDOFHNR-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001318787767 909890467 /nfs/dbraw/zinc/89/04/67/909890467.db2.gz HIAQPHRWDOFHNR-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001318787767 909890474 /nfs/dbraw/zinc/89/04/74/909890474.db2.gz HIAQPHRWDOFHNR-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001319130177 909996970 /nfs/dbraw/zinc/99/69/70/909996970.db2.gz PALDTOROIZDMRK-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001320061807 910441922 /nfs/dbraw/zinc/44/19/22/910441922.db2.gz PTGBSXWAWQVPMW-UHFFFAOYSA-N 2 1 281.400 0.122 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001320061807 910441936 /nfs/dbraw/zinc/44/19/36/910441936.db2.gz PTGBSXWAWQVPMW-UHFFFAOYSA-N 2 1 281.400 0.122 20 30 CCEDMP C=C(C)C[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001320062260 910444423 /nfs/dbraw/zinc/44/44/23/910444423.db2.gz SYAWQTWXBGVOMO-UHFFFAOYSA-N 2 1 283.416 0.675 20 30 CCEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001320062260 910444433 /nfs/dbraw/zinc/44/44/33/910444433.db2.gz SYAWQTWXBGVOMO-UHFFFAOYSA-N 2 1 283.416 0.675 20 30 CCEDMP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320640665 910774666 /nfs/dbraw/zinc/77/46/66/910774666.db2.gz SWVOHRBLVSYFRZ-ZIAGYGMSSA-N 2 1 281.400 0.072 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001329411552 915891209 /nfs/dbraw/zinc/89/12/09/915891209.db2.gz PLPYZQROVBSUPX-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001329411552 915891220 /nfs/dbraw/zinc/89/12/20/915891220.db2.gz PLPYZQROVBSUPX-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001329411552 915891240 /nfs/dbraw/zinc/89/12/40/915891240.db2.gz PLPYZQROVBSUPX-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001329411552 915891255 /nfs/dbraw/zinc/89/12/55/915891255.db2.gz PLPYZQROVBSUPX-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001329411552 915891271 /nfs/dbraw/zinc/89/12/71/915891271.db2.gz PLPYZQROVBSUPX-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001329592217 916044117 /nfs/dbraw/zinc/04/41/17/916044117.db2.gz MCKGQMWKXXJHEM-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001329592217 916044134 /nfs/dbraw/zinc/04/41/34/916044134.db2.gz MCKGQMWKXXJHEM-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001329592217 916044144 /nfs/dbraw/zinc/04/41/44/916044144.db2.gz MCKGQMWKXXJHEM-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP COCC#CC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001330038038 916371022 /nfs/dbraw/zinc/37/10/22/916371022.db2.gz JOVRCTZWBJBXDS-CQSZACIVSA-N 2 1 295.427 0.415 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC001334168515 919399238 /nfs/dbraw/zinc/39/92/38/919399238.db2.gz PATUYSGIIXRGEL-OKILXGFUSA-N 2 1 292.427 0.840 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC001335986126 920544925 /nfs/dbraw/zinc/54/49/25/920544925.db2.gz KCVUIBVYKXDSSY-DLBZAZTESA-N 2 1 294.439 0.976 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COC(C)C)CC1 ZINC001346251326 924133805 /nfs/dbraw/zinc/13/38/05/924133805.db2.gz LVZWBXBAOCWBRB-HNNXBMFYSA-N 2 1 268.401 0.850 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200116616 925628223 /nfs/dbraw/zinc/62/82/23/925628223.db2.gz YXFXTRYLBASASZ-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@@H+](CC[C@@H](C)O)C1CCN(CC[C@H](C)O)CC1 ZINC001352935497 925676963 /nfs/dbraw/zinc/67/69/63/925676963.db2.gz OCHJCOCDDKHEEG-LSDHHAIUSA-N 2 1 282.428 0.928 20 30 CCEDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(C#N)c1 ZINC000071148814 348904726 /nfs/dbraw/zinc/90/47/26/348904726.db2.gz BTBVIRVIMUEGHL-UHFFFAOYSA-N 2 1 258.369 0.895 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000167765519 350814882 /nfs/dbraw/zinc/81/48/82/350814882.db2.gz DDSGIOSTFCPTIU-NSHDSACASA-N 2 1 255.387 0.416 20 30 CCEDMP O=C(N[C@@H]1CCn2ccnc2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000330277960 354315184 /nfs/dbraw/zinc/31/51/84/354315184.db2.gz OZRVKGMKJDJDRF-OLZOCXBDSA-N 2 1 289.383 0.892 20 30 CCEDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CC[N@H+]1C ZINC000574749852 359039959 /nfs/dbraw/zinc/03/99/59/359039959.db2.gz CTQGXLZRQBDIPD-HZSPNIEDSA-N 2 1 268.405 0.265 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000611194795 363679314 /nfs/dbraw/zinc/67/93/14/363679314.db2.gz NJYPCIZBAYEBIO-INIZCTEOSA-N 2 1 279.428 0.737 20 30 CCEDMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439500 360308678 /nfs/dbraw/zinc/30/86/78/360308678.db2.gz RIAAXZUCFSORJV-OLZOCXBDSA-N 2 1 266.389 0.856 20 30 CCEDMP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439095 360308871 /nfs/dbraw/zinc/30/88/71/360308871.db2.gz SHERGODHUWGXFX-LBPRGKRZSA-N 2 1 263.345 0.719 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000594440573 360310594 /nfs/dbraw/zinc/31/05/94/360310594.db2.gz FRQDGRAPRQESCD-LBPRGKRZSA-N 2 1 284.429 0.563 20 30 CCEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000594444973 360312938 /nfs/dbraw/zinc/31/29/38/360312938.db2.gz HFDHNJKPFKBEST-CYBMUJFWSA-N 2 1 282.388 0.236 20 30 CCEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000594444973 360312946 /nfs/dbraw/zinc/31/29/46/360312946.db2.gz HFDHNJKPFKBEST-CYBMUJFWSA-N 2 1 282.388 0.236 20 30 CCEDMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1(C)C ZINC000598725650 361497162 /nfs/dbraw/zinc/49/71/62/361497162.db2.gz YJQPJOKDCYWJQC-AWEZNQCLSA-N 2 1 296.459 0.903 20 30 CCEDMP C=CCOCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000339056925 389123118 /nfs/dbraw/zinc/12/31/18/389123118.db2.gz ZKCRBTAWJZYASO-UHFFFAOYSA-N 2 1 255.406 0.758 20 30 CCEDMP C[C@H]1C[N@@H+](CCOCCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000339059101 389123368 /nfs/dbraw/zinc/12/33/68/389123368.db2.gz FRCAXUUIXOPQTJ-JKSUJKDBSA-N 2 1 294.443 0.874 20 30 CCEDMP N#C[C@H]1CC[C@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000328723652 389134423 /nfs/dbraw/zinc/13/44/23/389134423.db2.gz AOMZSVOXQZYDIE-GJZGRUSLSA-N 2 1 293.411 0.838 20 30 CCEDMP C=CCNC(=O)NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123694943 389156840 /nfs/dbraw/zinc/15/68/40/389156840.db2.gz YPAJFAPXYFMOQL-NEPJUHHUSA-N 2 1 282.388 0.413 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1ccnc1 ZINC000264074022 389304833 /nfs/dbraw/zinc/30/48/33/389304833.db2.gz GUYBNQYMVILVMY-LBPRGKRZSA-N 3 1 264.377 0.272 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1ccnc1C ZINC000264083180 389305604 /nfs/dbraw/zinc/30/56/04/389305604.db2.gz IDXKEWNGTOJXIV-ZDUSSCGKSA-N 2 1 278.404 0.580 20 30 CCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cc[nH+]c1C ZINC000264083180 389305607 /nfs/dbraw/zinc/30/56/07/389305607.db2.gz IDXKEWNGTOJXIV-ZDUSSCGKSA-N 3 1 278.404 0.580 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cc[nH+]c1C ZINC000264083180 389305608 /nfs/dbraw/zinc/30/56/08/389305608.db2.gz IDXKEWNGTOJXIV-ZDUSSCGKSA-N 3 1 278.404 0.580 20 30 CCEDMP CCNC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264101908 389307123 /nfs/dbraw/zinc/30/71/23/389307123.db2.gz ONHLSBGHHPTRGA-AWEZNQCLSA-N 2 1 276.384 0.330 20 30 CCEDMP CNC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264118693 389307669 /nfs/dbraw/zinc/30/76/69/389307669.db2.gz UGDSBEXOVDZFHM-UHFFFAOYSA-N 2 1 276.388 0.128 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccco1 ZINC000267472243 389371328 /nfs/dbraw/zinc/37/13/28/389371328.db2.gz YCXKVYZHTBDHFG-DOMZBBRYSA-N 2 1 294.399 0.876 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000491308890 390111738 /nfs/dbraw/zinc/11/17/38/390111738.db2.gz WSTUDUKWIVXNFJ-ZDUSSCGKSA-N 2 1 266.389 0.335 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000520814279 390590032 /nfs/dbraw/zinc/59/00/32/390590032.db2.gz MXZQLQDRQWHIBZ-ZIAGYGMSSA-N 2 1 293.411 0.461 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000577947809 390853498 /nfs/dbraw/zinc/85/34/98/390853498.db2.gz CRVGPGQIOAXPSA-UYSNPLJNSA-N 2 1 294.443 0.799 20 30 CCEDMP C=CC[C@]1(C(=O)NCC[N@H+](C)C2CC2)CCC[NH2+]1 ZINC000662696893 414742742 /nfs/dbraw/zinc/74/27/42/414742742.db2.gz YGBAUKIMYCHESV-CQSZACIVSA-N 2 1 251.374 0.895 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CCC[NH2+]1 ZINC000662906365 414885613 /nfs/dbraw/zinc/88/56/13/414885613.db2.gz IYAQAVZOVJKUHJ-GOEBONIOSA-N 2 1 292.427 0.191 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1F ZINC000264055011 262860619 /nfs/dbraw/zinc/86/06/19/262860619.db2.gz AHFJGAYQADXZHK-UHFFFAOYSA-N 2 1 294.374 0.952 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnccc1OC ZINC000292233336 263129889 /nfs/dbraw/zinc/12/98/89/263129889.db2.gz BFHKXCWUPLIWPT-ZDUSSCGKSA-N 2 1 291.399 0.979 20 30 CCEDMP C=CC[C@H](CO)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000341878885 263361779 /nfs/dbraw/zinc/36/17/79/263361779.db2.gz NUNXVSIERRVGLE-ZDUSSCGKSA-N 2 1 256.390 0.871 20 30 CCEDMP CC[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@@H](CC)[C@H](O)C2)C[C@@H]1O ZINC000341902926 263365142 /nfs/dbraw/zinc/36/51/42/263365142.db2.gz GHQYACXVYLEUBP-FPCVCCKLSA-N 2 1 280.412 0.395 20 30 CCEDMP CC[C@@H]1C[NH+](CC#CC[N@H+]2C[C@@H](CC)[C@H](O)C2)C[C@@H]1O ZINC000341902926 263365145 /nfs/dbraw/zinc/36/51/45/263365145.db2.gz GHQYACXVYLEUBP-FPCVCCKLSA-N 2 1 280.412 0.395 20 30 CCEDMP CC[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](CC)[C@H](O)C2)C[C@@H]1O ZINC000341902926 263365147 /nfs/dbraw/zinc/36/51/47/263365147.db2.gz GHQYACXVYLEUBP-FPCVCCKLSA-N 2 1 280.412 0.395 20 30 CCEDMP C[N@@H+](CCO)C1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)CC1 ZINC000331138061 264135566 /nfs/dbraw/zinc/13/55/66/264135566.db2.gz WDSSUYJQYHHGMA-AWEZNQCLSA-N 2 1 298.431 0.383 20 30 CCEDMP C[NH+](CCO)C1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000331138061 264135567 /nfs/dbraw/zinc/13/55/67/264135567.db2.gz WDSSUYJQYHHGMA-AWEZNQCLSA-N 2 1 298.431 0.383 20 30 CCEDMP C[NH+](CCO)C1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000331138061 264135570 /nfs/dbraw/zinc/13/55/70/264135570.db2.gz WDSSUYJQYHHGMA-AWEZNQCLSA-N 2 1 298.431 0.383 20 30 CCEDMP C#CCCNC(=[NH+]CC)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261620292 329976148 /nfs/dbraw/zinc/97/61/48/329976148.db2.gz BGYFKAINMHYOBM-OAHLLOKOSA-N 2 1 292.427 0.629 20 30 CCEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000262244940 330002437 /nfs/dbraw/zinc/00/24/37/330002437.db2.gz ASKBZWXMDLHNKD-INIZCTEOSA-N 2 1 290.411 0.760 20 30 CCEDMP C[C@@H]1CN(C(=[NH2+])NC[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC000262439332 330013051 /nfs/dbraw/zinc/01/30/51/330013051.db2.gz HGQBRBPFOHQYOP-YPMHNXCESA-N 2 1 286.445 0.459 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424133073 330265397 /nfs/dbraw/zinc/26/53/97/330265397.db2.gz IVWKWAYAIOQFAQ-NWDGAFQWSA-N 2 1 252.362 0.608 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000490604398 332094814 /nfs/dbraw/zinc/09/48/14/332094814.db2.gz KGELCJIEXQNXCM-UHFFFAOYSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@](C)(CC)C2)CC1 ZINC000490830889 332118559 /nfs/dbraw/zinc/11/85/59/332118559.db2.gz NMEYDKKINGTNAG-MRXNPFEDSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000491201505 332164560 /nfs/dbraw/zinc/16/45/60/332164560.db2.gz IHELZIXOBXHABJ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(C(=O)OC)CC1 ZINC000491326707 332190671 /nfs/dbraw/zinc/19/06/71/332190671.db2.gz PMZBAQNDLZRECT-UHFFFAOYSA-N 2 1 267.373 0.762 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(C(=O)OC)CC1 ZINC000491326707 332190673 /nfs/dbraw/zinc/19/06/73/332190673.db2.gz PMZBAQNDLZRECT-UHFFFAOYSA-N 2 1 267.373 0.762 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000491326911 332190956 /nfs/dbraw/zinc/19/09/56/332190956.db2.gz RIBPUOLGIBTHLZ-UONOGXRCSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000491326911 332190958 /nfs/dbraw/zinc/19/09/58/332190958.db2.gz RIBPUOLGIBTHLZ-UONOGXRCSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000491326911 332190960 /nfs/dbraw/zinc/19/09/60/332190960.db2.gz RIBPUOLGIBTHLZ-UONOGXRCSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CCC[NH+](C)C ZINC000491340634 332193722 /nfs/dbraw/zinc/19/37/22/332193722.db2.gz ZCNXPGAOFALIGD-UHFFFAOYSA-N 2 1 268.405 0.535 20 30 CCEDMP C#CCNC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000491544421 332234376 /nfs/dbraw/zinc/23/43/76/332234376.db2.gz LHGXCRYITRFJPT-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000491544421 332234377 /nfs/dbraw/zinc/23/43/77/332234377.db2.gz LHGXCRYITRFJPT-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCNC(=O)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000491665504 332274104 /nfs/dbraw/zinc/27/41/04/332274104.db2.gz VEDRFCCAVMQLFC-UHFFFAOYSA-N 2 1 251.374 0.544 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000491712918 332304134 /nfs/dbraw/zinc/30/41/34/332304134.db2.gz YFMQJICCFJKPAS-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000491712918 332304135 /nfs/dbraw/zinc/30/41/35/332304135.db2.gz YFMQJICCFJKPAS-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000491712918 332304136 /nfs/dbraw/zinc/30/41/36/332304136.db2.gz YFMQJICCFJKPAS-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000491772864 332339067 /nfs/dbraw/zinc/33/90/67/332339067.db2.gz UZEMXHJFXZSRKH-AWEZNQCLSA-N 2 1 284.379 0.285 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000491772864 332339068 /nfs/dbraw/zinc/33/90/68/332339068.db2.gz UZEMXHJFXZSRKH-AWEZNQCLSA-N 2 1 284.379 0.285 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000491778958 332343986 /nfs/dbraw/zinc/34/39/86/332343986.db2.gz JPNIBBIZFIBCAC-CHWSQXEVSA-N 2 1 266.389 0.368 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000491778961 332344028 /nfs/dbraw/zinc/34/40/28/332344028.db2.gz JPNIBBIZFIBCAC-STQMWFEESA-N 2 1 266.389 0.368 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000491821033 332370427 /nfs/dbraw/zinc/37/04/27/332370427.db2.gz UNFGMUIRLBNEPY-CQSZACIVSA-N 2 1 280.416 0.583 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000491821033 332370428 /nfs/dbraw/zinc/37/04/28/332370428.db2.gz UNFGMUIRLBNEPY-CQSZACIVSA-N 2 1 280.416 0.583 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000491821033 332370429 /nfs/dbraw/zinc/37/04/29/332370429.db2.gz UNFGMUIRLBNEPY-CQSZACIVSA-N 2 1 280.416 0.583 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000781184979 581261208 /nfs/dbraw/zinc/26/12/08/581261208.db2.gz QHJIYYHLLXBHLW-HIFRSBDPSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000781184979 581261210 /nfs/dbraw/zinc/26/12/10/581261210.db2.gz QHJIYYHLLXBHLW-HIFRSBDPSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000781184979 581261212 /nfs/dbraw/zinc/26/12/12/581261212.db2.gz QHJIYYHLLXBHLW-HIFRSBDPSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000781184979 581261213 /nfs/dbraw/zinc/26/12/13/581261213.db2.gz QHJIYYHLLXBHLW-HIFRSBDPSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000734447315 581563887 /nfs/dbraw/zinc/56/38/87/581563887.db2.gz MQHOYEQKJBPYCK-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000734447315 581563891 /nfs/dbraw/zinc/56/38/91/581563891.db2.gz MQHOYEQKJBPYCK-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000734447315 581563893 /nfs/dbraw/zinc/56/38/93/581563893.db2.gz MQHOYEQKJBPYCK-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000734447315 581563896 /nfs/dbraw/zinc/56/38/96/581563896.db2.gz MQHOYEQKJBPYCK-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000730282636 581691454 /nfs/dbraw/zinc/69/14/54/581691454.db2.gz NNFYHKVUKAHOBQ-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000730282636 581691458 /nfs/dbraw/zinc/69/14/58/581691458.db2.gz NNFYHKVUKAHOBQ-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C[C@@H]1C[N@@H+](C2CC2)CC1=NNC(=S)NCCC[NH+](C)C ZINC000755893662 581740283 /nfs/dbraw/zinc/74/02/83/581740283.db2.gz RWFXURMWJZMCQN-LLVKDONJSA-N 2 1 297.472 0.872 20 30 CCEDMP C[C@@H]1C[N@H+](C2CC2)CC1=NNC(=S)NCCC[NH+](C)C ZINC000755893662 581740286 /nfs/dbraw/zinc/74/02/86/581740286.db2.gz RWFXURMWJZMCQN-LLVKDONJSA-N 2 1 297.472 0.872 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000764287485 582041618 /nfs/dbraw/zinc/04/16/18/582041618.db2.gz GXMJPUJVICFSGI-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000972177146 613093135 /nfs/dbraw/zinc/09/31/35/613093135.db2.gz OHYPLAMWUVKOMB-KKUMJFAQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000972177146 613093136 /nfs/dbraw/zinc/09/31/36/613093136.db2.gz OHYPLAMWUVKOMB-KKUMJFAQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000972177146 613093137 /nfs/dbraw/zinc/09/31/37/613093137.db2.gz OHYPLAMWUVKOMB-KKUMJFAQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000932394063 613102765 /nfs/dbraw/zinc/10/27/65/613102765.db2.gz HLSOTRZGNBVDEU-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000932394063 613102767 /nfs/dbraw/zinc/10/27/67/613102767.db2.gz HLSOTRZGNBVDEU-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCCCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000878803012 612977031 /nfs/dbraw/zinc/97/70/31/612977031.db2.gz WKNFIXPMBXBENL-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CCCCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000878803012 612977032 /nfs/dbraw/zinc/97/70/32/612977032.db2.gz WKNFIXPMBXBENL-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000961787739 613042652 /nfs/dbraw/zinc/04/26/52/613042652.db2.gz LJJMSEGXZZGALY-NYTXWWLZSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000961787739 613042653 /nfs/dbraw/zinc/04/26/53/613042653.db2.gz LJJMSEGXZZGALY-NYTXWWLZSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000961787739 613042655 /nfs/dbraw/zinc/04/26/55/613042655.db2.gz LJJMSEGXZZGALY-NYTXWWLZSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCN(C(=O)N[C@H]1CC[N@H+](CC)C1)C1CC[NH+](C)CC1 ZINC000922911031 613068192 /nfs/dbraw/zinc/06/81/92/613068192.db2.gz XPNINNSJGCAOPR-AWEZNQCLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)C(=C)CC[NH+](C)C ZINC000908435925 613072607 /nfs/dbraw/zinc/07/26/07/613072607.db2.gz LSUUVZJGMMPTEH-UHFFFAOYSA-N 2 1 251.374 0.566 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000897518464 613133959 /nfs/dbraw/zinc/13/39/59/613133959.db2.gz HMQWQNLBGHWTNU-CQSZACIVSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=S)NCC[NH+](C)C)C1 ZINC000905571736 613192167 /nfs/dbraw/zinc/19/21/67/613192167.db2.gz RXKSNFNSSUPDIO-LBPRGKRZSA-N 2 1 268.430 0.110 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=S)NCC[NH+](C)C)C1 ZINC000905571736 613192168 /nfs/dbraw/zinc/19/21/68/613192168.db2.gz RXKSNFNSSUPDIO-LBPRGKRZSA-N 2 1 268.430 0.110 20 30 CCEDMP C[NH+]=C(NCC[NH+]1CCC(OC)CC1)NC1CC1 ZINC000848993272 613219269 /nfs/dbraw/zinc/21/92/69/613219269.db2.gz SJVPAXWSMMHTSN-UHFFFAOYSA-N 2 1 254.378 0.425 20 30 CCEDMP C[NH+]=C(NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)NC1CC1 ZINC000103337802 613219386 /nfs/dbraw/zinc/21/93/86/613219386.db2.gz WXOQGOZIARANFG-TXEJJXNPSA-N 2 1 268.405 0.813 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900604148 613304696 /nfs/dbraw/zinc/30/46/96/613304696.db2.gz BBHLOLIDQNAUIT-HOCLYGCPSA-N 2 1 295.427 0.598 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000978366371 613308564 /nfs/dbraw/zinc/30/85/64/613308564.db2.gz JQBKJSRRQGTYCK-APIJFGDWSA-N 2 1 275.396 0.398 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374786 613342669 /nfs/dbraw/zinc/34/26/69/613342669.db2.gz OHDNBJCMMCAYJN-CABCVRRESA-N 2 1 295.427 0.313 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCCO ZINC000849033943 613346407 /nfs/dbraw/zinc/34/64/07/613346407.db2.gz FWLCVDZABCMIMA-LBPRGKRZSA-N 2 1 254.378 0.523 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCCC[NH+]1CCN(CC)CC1 ZINC000900191980 613364698 /nfs/dbraw/zinc/36/46/98/613364698.db2.gz IIHKEMWDAXLAKC-UHFFFAOYSA-N 2 1 296.459 0.638 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000901139279 613364753 /nfs/dbraw/zinc/36/47/53/613364753.db2.gz QBQPHYYQCXRZQU-HNNXBMFYSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000798282113 613366573 /nfs/dbraw/zinc/36/65/73/613366573.db2.gz GBRGNAQYUIWYRX-LBPRGKRZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000911842999 613366811 /nfs/dbraw/zinc/36/68/11/613366811.db2.gz KTRJOCOSZHKYCI-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+](C)CCOC ZINC000876744260 613389848 /nfs/dbraw/zinc/38/98/48/613389848.db2.gz AXHZVUHTLOVVJX-JTQLQIEISA-N 2 1 263.769 0.151 20 30 CCEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000981440145 613495621 /nfs/dbraw/zinc/49/56/21/613495621.db2.gz QCIUQSZMBHTWSG-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000981440145 613495622 /nfs/dbraw/zinc/49/56/22/613495622.db2.gz QCIUQSZMBHTWSG-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981440145 613495623 /nfs/dbraw/zinc/49/56/23/613495623.db2.gz QCIUQSZMBHTWSG-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981440145 613495624 /nfs/dbraw/zinc/49/56/24/613495624.db2.gz QCIUQSZMBHTWSG-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549149 613592714 /nfs/dbraw/zinc/59/27/14/613592714.db2.gz NKLFMARTEGVVSG-LSDHHAIUSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972556836 613627503 /nfs/dbraw/zinc/62/75/03/613627503.db2.gz BTVDJYSNXUIXHV-AWEZNQCLSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972556836 613627504 /nfs/dbraw/zinc/62/75/04/613627504.db2.gz BTVDJYSNXUIXHV-AWEZNQCLSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000972172266 613633780 /nfs/dbraw/zinc/63/37/80/613633780.db2.gz LWGLJTALVIMPFR-LSDHHAIUSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000972172266 613633781 /nfs/dbraw/zinc/63/37/81/613633781.db2.gz LWGLJTALVIMPFR-LSDHHAIUSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972172266 613633782 /nfs/dbraw/zinc/63/37/82/613633782.db2.gz LWGLJTALVIMPFR-LSDHHAIUSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972172266 613633783 /nfs/dbraw/zinc/63/37/83/613633783.db2.gz LWGLJTALVIMPFR-LSDHHAIUSA-N 2 1 295.427 0.814 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC000961774339 613634280 /nfs/dbraw/zinc/63/42/80/613634280.db2.gz QYUONGZCUXFOLX-NYTXWWLZSA-N 2 1 275.396 0.540 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000961774339 613634283 /nfs/dbraw/zinc/63/42/83/613634283.db2.gz QYUONGZCUXFOLX-NYTXWWLZSA-N 2 1 275.396 0.540 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC000961774339 613634284 /nfs/dbraw/zinc/63/42/84/613634284.db2.gz QYUONGZCUXFOLX-NYTXWWLZSA-N 2 1 275.396 0.540 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961141332 613635326 /nfs/dbraw/zinc/63/53/26/613635326.db2.gz FCLNWXGOBDIYLG-NHAGDIPZSA-N 2 1 272.352 0.261 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961141332 613635329 /nfs/dbraw/zinc/63/53/29/613635329.db2.gz FCLNWXGOBDIYLG-NHAGDIPZSA-N 2 1 272.352 0.261 20 30 CCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000941455503 613660392 /nfs/dbraw/zinc/66/03/92/613660392.db2.gz SPQXPTVWMCSIIW-OAHLLOKOSA-N 2 1 294.443 0.341 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000969382492 613668965 /nfs/dbraw/zinc/66/89/65/613668965.db2.gz SXVNETMCUDMQMT-AAEUAGOBSA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000960778384 613837171 /nfs/dbraw/zinc/83/71/71/613837171.db2.gz WGKNHLUYJBLTAQ-WDNDVIMCSA-N 2 1 275.396 0.847 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000961781631 613837527 /nfs/dbraw/zinc/83/75/27/613837527.db2.gz UWRDPYVNJVZUFQ-NHAGDIPZSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000961781631 613837528 /nfs/dbraw/zinc/83/75/28/613837528.db2.gz UWRDPYVNJVZUFQ-NHAGDIPZSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000961781631 613837530 /nfs/dbraw/zinc/83/75/30/613837530.db2.gz UWRDPYVNJVZUFQ-NHAGDIPZSA-N 2 1 277.412 0.951 20 30 CCEDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886273571 615937007 /nfs/dbraw/zinc/93/70/07/615937007.db2.gz BYKMKZAOTWEMEY-ZBFHGGJFSA-N 2 1 295.427 0.820 20 30 CCEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886273571 615937009 /nfs/dbraw/zinc/93/70/09/615937009.db2.gz BYKMKZAOTWEMEY-ZBFHGGJFSA-N 2 1 295.427 0.820 20 30 CCEDMP C[N@@H+]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876805873 616185701 /nfs/dbraw/zinc/18/57/01/616185701.db2.gz GZWUYFYLTVOBPS-INIZCTEOSA-N 2 1 298.390 0.909 20 30 CCEDMP C[N@H+]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876805873 616185702 /nfs/dbraw/zinc/18/57/02/616185702.db2.gz GZWUYFYLTVOBPS-INIZCTEOSA-N 2 1 298.390 0.909 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023569726 623067991 /nfs/dbraw/zinc/06/79/91/623067991.db2.gz QPSVYXYOLAWBSE-AWEZNQCLSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703408 623107616 /nfs/dbraw/zinc/10/76/16/623107616.db2.gz JPVWOCGAUVIDSG-OAHLLOKOSA-N 2 1 289.423 0.934 20 30 CCEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001024803411 623448294 /nfs/dbraw/zinc/44/82/94/623448294.db2.gz HUDCQFUJGVIBNZ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001024803411 623448300 /nfs/dbraw/zinc/44/83/00/623448300.db2.gz HUDCQFUJGVIBNZ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024803411 623448303 /nfs/dbraw/zinc/44/83/03/623448303.db2.gz HUDCQFUJGVIBNZ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598215 623842541 /nfs/dbraw/zinc/84/25/41/623842541.db2.gz WHNDEUWITHGAKV-GJZGRUSLSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598216 623842630 /nfs/dbraw/zinc/84/26/30/623842630.db2.gz WHNDEUWITHGAKV-HUUCEWRRSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001020517896 624500286 /nfs/dbraw/zinc/50/02/86/624500286.db2.gz RCNPYEZEUMTAPD-IHRRRGAJSA-N 2 1 286.379 0.624 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(OC)CCOCC1 ZINC000160613974 624812954 /nfs/dbraw/zinc/81/29/54/624812954.db2.gz MITYCPPMWKSDFV-CYBMUJFWSA-N 2 1 298.431 0.571 20 30 CCEDMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261872721 624836135 /nfs/dbraw/zinc/83/61/35/624836135.db2.gz PGWGYOOYFLAYSZ-OLZOCXBDSA-N 2 1 268.405 0.944 20 30 CCEDMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000903479318 634576401 /nfs/dbraw/zinc/57/64/01/634576401.db2.gz TXWQRWQTSOLKTN-KGLIPLIRSA-N 2 1 285.395 0.931 20 30 CCEDMP C[C@H](CNC(=[NH2+])N1CCCCC1)CN1CC[NH+](C)CC1 ZINC000104174641 630767780 /nfs/dbraw/zinc/76/77/80/630767780.db2.gz SXFSYZRTTITITK-CQSZACIVSA-N 2 1 281.448 0.671 20 30 CCEDMP COCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000178726011 631533327 /nfs/dbraw/zinc/53/33/27/631533327.db2.gz YQHOIXLSHUKFDL-CYBMUJFWSA-N 2 1 270.421 0.905 20 30 CCEDMP C[NH+]=C(NCC(F)F)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261947041 631721333 /nfs/dbraw/zinc/72/13/33/631721333.db2.gz GFLWNGQXDITWJW-WCBMZHEXSA-N 2 1 260.332 0.899 20 30 CCEDMP C[NH+]=C(NCCN1CCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261949607 631726576 /nfs/dbraw/zinc/72/65/76/631726576.db2.gz GYKGNZHEFCWWEZ-GXTWGEPZSA-N 2 1 279.432 0.340 20 30 CCEDMP C[NH+]=C(NC[C@@H](C)[NH+](C)C)N(C)Cc1cccn1C ZINC000261966998 631737189 /nfs/dbraw/zinc/73/71/89/631737189.db2.gz LRDYUESUNKIAJW-GFCCVEGCSA-N 2 1 265.405 0.982 20 30 CCEDMP CC[NH+](CC)CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303708085 632490945 /nfs/dbraw/zinc/49/09/45/632490945.db2.gz MSTTXLOROIXTMW-CYBMUJFWSA-N 3 1 269.437 0.717 20 30 CCEDMP CCN(CC)CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303708085 632490949 /nfs/dbraw/zinc/49/09/49/632490949.db2.gz MSTTXLOROIXTMW-CYBMUJFWSA-N 2 1 269.437 0.717 20 30 CCEDMP CCN(CC)CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303708085 632490953 /nfs/dbraw/zinc/49/09/53/632490953.db2.gz MSTTXLOROIXTMW-CYBMUJFWSA-N 2 1 269.437 0.717 20 30 CCEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])N2CCSCC2)CC1 ZINC000303976712 632501857 /nfs/dbraw/zinc/50/18/57/632501857.db2.gz KKQRXTKEBVZDAG-UHFFFAOYSA-N 2 1 299.488 0.378 20 30 CCEDMP CN1CCC[N@H+](CCCNC(=[NH2+])N2CCSCC2)CC1 ZINC000303976712 632501859 /nfs/dbraw/zinc/50/18/59/632501859.db2.gz KKQRXTKEBVZDAG-UHFFFAOYSA-N 2 1 299.488 0.378 20 30 CCEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])N2CCSCC2)CC1 ZINC000303976712 632501873 /nfs/dbraw/zinc/50/18/73/632501873.db2.gz KKQRXTKEBVZDAG-UHFFFAOYSA-N 2 1 299.488 0.378 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OC)n1 ZINC000303988923 632502593 /nfs/dbraw/zinc/50/25/93/632502593.db2.gz WYXXWWLYCRIDKC-CYBMUJFWSA-N 2 1 291.399 0.979 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000987531090 632877283 /nfs/dbraw/zinc/87/72/83/632877283.db2.gz JWLDDPZTAUHZGN-YPMHNXCESA-N 2 1 260.341 0.404 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)CCc2cncn2C)CC1 ZINC000989584682 633331346 /nfs/dbraw/zinc/33/13/46/633331346.db2.gz KYMGBOZJVQZIJB-UHFFFAOYSA-N 2 1 288.395 0.910 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014416305 650450206 /nfs/dbraw/zinc/45/02/06/650450206.db2.gz ZVHXQXNYDWVEML-KBPBESRZSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014416305 650450207 /nfs/dbraw/zinc/45/02/07/650450207.db2.gz ZVHXQXNYDWVEML-KBPBESRZSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014416305 650450209 /nfs/dbraw/zinc/45/02/09/650450209.db2.gz ZVHXQXNYDWVEML-KBPBESRZSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014416305 650450210 /nfs/dbraw/zinc/45/02/10/650450210.db2.gz ZVHXQXNYDWVEML-KBPBESRZSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014455559 650452896 /nfs/dbraw/zinc/45/28/96/650452896.db2.gz MAHQBLMIQZKXQH-HUUCEWRRSA-N 2 1 275.396 0.542 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000999862139 639011003 /nfs/dbraw/zinc/01/10/03/639011003.db2.gz MBTCISPTEYUYBN-JXQTWKCFSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000999862139 639011011 /nfs/dbraw/zinc/01/10/11/639011011.db2.gz MBTCISPTEYUYBN-JXQTWKCFSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001000552439 639118296 /nfs/dbraw/zinc/11/82/96/639118296.db2.gz SAFAFIZMUIVWKX-AWEZNQCLSA-N 2 1 279.384 0.251 20 30 CCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001000552439 639118299 /nfs/dbraw/zinc/11/82/99/639118299.db2.gz SAFAFIZMUIVWKX-AWEZNQCLSA-N 2 1 279.384 0.251 20 30 CCEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000552439 639118305 /nfs/dbraw/zinc/11/83/05/639118305.db2.gz SAFAFIZMUIVWKX-AWEZNQCLSA-N 2 1 279.384 0.251 20 30 CCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000552439 639118308 /nfs/dbraw/zinc/11/83/08/639118308.db2.gz SAFAFIZMUIVWKX-AWEZNQCLSA-N 2 1 279.384 0.251 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001000918438 639193931 /nfs/dbraw/zinc/19/39/31/639193931.db2.gz FDUPWAHHXIBKCH-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001001277420 639272260 /nfs/dbraw/zinc/27/22/60/639272260.db2.gz CLSSKXRPABNEOW-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001001277420 639272269 /nfs/dbraw/zinc/27/22/69/639272269.db2.gz CLSSKXRPABNEOW-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002475405 639419410 /nfs/dbraw/zinc/41/94/10/639419410.db2.gz NEFTUVBWLKIMHC-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001003626055 639579308 /nfs/dbraw/zinc/57/93/08/639579308.db2.gz KPXPNFUXOGPNRY-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC#C)CC1 ZINC001005519435 639915061 /nfs/dbraw/zinc/91/50/61/639915061.db2.gz URFFIONFALSFPP-INIZCTEOSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC#C)CC1 ZINC001005519435 639915069 /nfs/dbraw/zinc/91/50/69/639915069.db2.gz URFFIONFALSFPP-INIZCTEOSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016968550 650775008 /nfs/dbraw/zinc/77/50/08/650775008.db2.gz GJMSVZQDUPRQTJ-HUUCEWRRSA-N 2 1 289.423 0.932 20 30 CCEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000844194194 643178226 /nfs/dbraw/zinc/17/82/26/643178226.db2.gz BEUHNAUCRYXFRU-KXNHARMFSA-N 2 1 250.346 0.087 20 30 CCEDMP C=CC[C@@H](CO)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000849016185 643700761 /nfs/dbraw/zinc/70/07/61/643700761.db2.gz RNAMFSRBDCWLGO-CHWSQXEVSA-N 2 1 268.405 0.769 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001018964522 650925681 /nfs/dbraw/zinc/92/56/81/650925681.db2.gz FNYIFJBEWHDRGT-KBPBESRZSA-N 2 1 291.399 0.190 20 30 CCEDMP CC(C)[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1C ZINC000877252123 646768766 /nfs/dbraw/zinc/76/87/66/646768766.db2.gz ZYJAIOCIIVZWIZ-OAHLLOKOSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006399445 647903212 /nfs/dbraw/zinc/90/32/12/647903212.db2.gz KQUHYGLZEZHIIX-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006410400 647990066 /nfs/dbraw/zinc/99/00/66/647990066.db2.gz KBLVYNZNTQWOGR-CYBMUJFWSA-N 2 1 263.385 0.494 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304762997 649838848 /nfs/dbraw/zinc/83/88/48/649838848.db2.gz WHZIRFVPFKMSRO-GFCCVEGCSA-N 2 1 254.378 0.435 20 30 CCEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000303863608 649825868 /nfs/dbraw/zinc/82/58/68/649825868.db2.gz AHAOEZCNXJVLTH-CYBMUJFWSA-N 2 1 283.464 0.963 20 30 CCEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000304762895 649838785 /nfs/dbraw/zinc/83/87/85/649838785.db2.gz WDWQHPYHAPTELU-NEPJUHHUSA-N 2 1 256.394 0.800 20 30 CCEDMP COCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000305021535 649840789 /nfs/dbraw/zinc/84/07/89/649840789.db2.gz NZSLOTKHUWPHMX-LBPRGKRZSA-N 2 1 256.394 0.515 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266323083 790505099 /nfs/dbraw/zinc/50/50/99/790505099.db2.gz UPGYFBAUEZOVNQ-LBPRGKRZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266323083 790505105 /nfs/dbraw/zinc/50/51/05/790505105.db2.gz UPGYFBAUEZOVNQ-LBPRGKRZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266323083 790505113 /nfs/dbraw/zinc/50/51/13/790505113.db2.gz UPGYFBAUEZOVNQ-LBPRGKRZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001149253571 791100287 /nfs/dbraw/zinc/10/02/87/791100287.db2.gz JTTTZHUTIVXVCH-AWEZNQCLSA-N 2 1 251.374 0.754 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231367738 805784494 /nfs/dbraw/zinc/78/44/94/805784494.db2.gz DMFXUJAITWUFLN-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231367738 805784502 /nfs/dbraw/zinc/78/45/02/805784502.db2.gz DMFXUJAITWUFLN-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001231367738 805784512 /nfs/dbraw/zinc/78/45/12/805784512.db2.gz DMFXUJAITWUFLN-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001231367738 805784519 /nfs/dbraw/zinc/78/45/19/805784519.db2.gz DMFXUJAITWUFLN-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CC1 ZINC001266728968 791194173 /nfs/dbraw/zinc/19/41/73/791194173.db2.gz RTPWLTRJYNVFBS-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CC1 ZINC001266728968 791194179 /nfs/dbraw/zinc/19/41/79/791194179.db2.gz RTPWLTRJYNVFBS-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267041421 791474033 /nfs/dbraw/zinc/47/40/33/791474033.db2.gz NNCAJHQYOGIFKK-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267114355 791555268 /nfs/dbraw/zinc/55/52/68/791555268.db2.gz DBGVJDQJCJXOPC-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267114355 791555274 /nfs/dbraw/zinc/55/52/74/791555274.db2.gz DBGVJDQJCJXOPC-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267114355 791555283 /nfs/dbraw/zinc/55/52/83/791555283.db2.gz DBGVJDQJCJXOPC-CQSZACIVSA-N 2 1 265.401 0.883 20 30 CCEDMP CC[N@H+](CC#CCOC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267256055 793254557 /nfs/dbraw/zinc/25/45/57/793254557.db2.gz WYPDCVACNQIQQD-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP CC[NH+](CC#CCOC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267256055 793254565 /nfs/dbraw/zinc/25/45/65/793254565.db2.gz WYPDCVACNQIQQD-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP CC[NH+](CC#CCOC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267256055 793254575 /nfs/dbraw/zinc/25/45/75/793254575.db2.gz WYPDCVACNQIQQD-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP N#CCc1ccccc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234989951 806336245 /nfs/dbraw/zinc/33/62/45/806336245.db2.gz NPSNBYPVTHYEHA-MRXNPFEDSA-N 2 1 270.380 0.890 20 30 CCEDMP N#Cc1ccn2ncc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)c2c1 ZINC001234993005 806339605 /nfs/dbraw/zinc/33/96/05/806339605.db2.gz LQSHELKWWRKYAP-MRXNPFEDSA-N 2 1 296.378 0.343 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC001121909585 799091141 /nfs/dbraw/zinc/09/11/41/799091141.db2.gz VUZCKSQRPJLDSU-GFCCVEGCSA-N 2 1 271.430 0.835 20 30 CCEDMP N#Cc1ccc(-c2noc([C@@H]([NH3+])CSCC[NH3+])n2)nc1 ZINC001206631411 800253235 /nfs/dbraw/zinc/25/32/35/800253235.db2.gz YPXTYNCMWCBNGU-VIFPVBQESA-N 2 1 290.352 0.695 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480285 800337588 /nfs/dbraw/zinc/33/75/88/800337588.db2.gz JZEROGFQFAEUKY-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480285 800337596 /nfs/dbraw/zinc/33/75/96/800337596.db2.gz JZEROGFQFAEUKY-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150589515 800349701 /nfs/dbraw/zinc/34/97/01/800349701.db2.gz USRXBLWRJOYGNZ-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150589515 800349706 /nfs/dbraw/zinc/34/97/06/800349706.db2.gz USRXBLWRJOYGNZ-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150589515 800349714 /nfs/dbraw/zinc/34/97/14/800349714.db2.gz USRXBLWRJOYGNZ-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150589515 800349722 /nfs/dbraw/zinc/34/97/22/800349722.db2.gz USRXBLWRJOYGNZ-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152551341 800537178 /nfs/dbraw/zinc/53/71/78/800537178.db2.gz OPLGECWHBDYZPV-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152551341 800537181 /nfs/dbraw/zinc/53/71/81/800537181.db2.gz OPLGECWHBDYZPV-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152551341 800537182 /nfs/dbraw/zinc/53/71/82/800537182.db2.gz OPLGECWHBDYZPV-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152551341 800537185 /nfs/dbraw/zinc/53/71/85/800537185.db2.gz OPLGECWHBDYZPV-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152619627 800544552 /nfs/dbraw/zinc/54/45/52/800544552.db2.gz FWLHTMSOKGTMPS-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152619627 800544556 /nfs/dbraw/zinc/54/45/56/800544556.db2.gz FWLHTMSOKGTMPS-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152619627 800544559 /nfs/dbraw/zinc/54/45/59/800544559.db2.gz FWLHTMSOKGTMPS-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152619627 800544562 /nfs/dbraw/zinc/54/45/62/800544562.db2.gz FWLHTMSOKGTMPS-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020612 800705180 /nfs/dbraw/zinc/70/51/80/800705180.db2.gz LQIMTCIXJCTMDV-RBSFLKMASA-N 2 1 295.427 0.555 20 30 CCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020612 800705185 /nfs/dbraw/zinc/70/51/85/800705185.db2.gz LQIMTCIXJCTMDV-RBSFLKMASA-N 2 1 295.427 0.555 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001154020612 800705192 /nfs/dbraw/zinc/70/51/92/800705192.db2.gz LQIMTCIXJCTMDV-RBSFLKMASA-N 2 1 295.427 0.555 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001154020612 800705199 /nfs/dbraw/zinc/70/51/99/800705199.db2.gz LQIMTCIXJCTMDV-RBSFLKMASA-N 2 1 295.427 0.555 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033853 800709143 /nfs/dbraw/zinc/70/91/43/800709143.db2.gz PARVTXHTQJZMMP-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033853 800709145 /nfs/dbraw/zinc/70/91/45/800709145.db2.gz PARVTXHTQJZMMP-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033853 800709147 /nfs/dbraw/zinc/70/91/47/800709147.db2.gz PARVTXHTQJZMMP-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001155282962 800947715 /nfs/dbraw/zinc/94/77/15/800947715.db2.gz DXFLCJBZGRSMLV-OLZOCXBDSA-N 2 1 253.390 0.786 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158337150 801622613 /nfs/dbraw/zinc/62/26/13/801622613.db2.gz FYECVRHNUPTDSN-QWHCGFSZSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](CC)OC ZINC001160209446 801919902 /nfs/dbraw/zinc/91/99/02/801919902.db2.gz KNFAUGYXGNZNNZ-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](CC)OC ZINC001160209446 801919908 /nfs/dbraw/zinc/91/99/08/801919908.db2.gz KNFAUGYXGNZNNZ-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP Cc1nc(C#N)cnc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160514468 801957974 /nfs/dbraw/zinc/95/79/74/801957974.db2.gz XJNVYMUTKMFIRJ-CQSZACIVSA-N 2 1 272.356 0.492 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001162679309 802385367 /nfs/dbraw/zinc/38/53/67/802385367.db2.gz RQLSFAVSUGKPQC-UHFFFAOYSA-N 2 1 288.395 0.881 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001163822248 802618877 /nfs/dbraw/zinc/61/88/77/802618877.db2.gz WSBQDJWPRMZQFP-ZDUSSCGKSA-N 2 1 263.385 0.590 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164578733 802768426 /nfs/dbraw/zinc/76/84/26/802768426.db2.gz PDGQHHNXXNAUNA-ZIAGYGMSSA-N 2 1 277.412 0.836 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001267748934 811739581 /nfs/dbraw/zinc/73/95/81/811739581.db2.gz BGSOWYOEBATQEL-CQSZACIVSA-N 2 1 281.400 0.475 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001267748934 811739587 /nfs/dbraw/zinc/73/95/87/811739587.db2.gz BGSOWYOEBATQEL-CQSZACIVSA-N 2 1 281.400 0.475 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166692411 802940198 /nfs/dbraw/zinc/94/01/98/802940198.db2.gz PHUZAWYONXUBLB-OLZOCXBDSA-N 2 1 253.390 0.856 20 30 CCEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204875794 803107479 /nfs/dbraw/zinc/10/74/79/803107479.db2.gz DUMKXRKJXOPFAX-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204875794 803107484 /nfs/dbraw/zinc/10/74/84/803107484.db2.gz DUMKXRKJXOPFAX-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205334435 803135822 /nfs/dbraw/zinc/13/58/22/803135822.db2.gz MCLLIDUVQYLXHS-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210483006 803651384 /nfs/dbraw/zinc/65/13/84/803651384.db2.gz UIHHIFQOJRJMBX-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213751765 803702258 /nfs/dbraw/zinc/70/22/58/803702258.db2.gz PFLKZXZCPWYXCF-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213751765 803702260 /nfs/dbraw/zinc/70/22/60/803702260.db2.gz PFLKZXZCPWYXCF-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388782 803737623 /nfs/dbraw/zinc/73/76/23/803737623.db2.gz KHRNQQYFRRKSOL-MCIONIFRSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388782 803737628 /nfs/dbraw/zinc/73/76/28/803737628.db2.gz KHRNQQYFRRKSOL-MCIONIFRSA-N 2 1 281.400 0.330 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218532095 803991989 /nfs/dbraw/zinc/99/19/89/803991989.db2.gz CEOOOTSFKLZMEJ-MADCSZMMSA-N 2 1 264.354 0.248 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218727810 804097753 /nfs/dbraw/zinc/09/77/53/804097753.db2.gz QLAVHFUKZHLMEJ-RISCZKNCSA-N 2 1 274.324 0.111 20 30 CCEDMP N#CC1(CNC(=O)C[NH2+]C2CC[NH2+]CC2)CCC1 ZINC001219632041 804383024 /nfs/dbraw/zinc/38/30/24/804383024.db2.gz FLCHHGUQBQOFGG-UHFFFAOYSA-N 2 1 250.346 0.138 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220359234 804581923 /nfs/dbraw/zinc/58/19/23/804581923.db2.gz GBMCDPOJKRYTOP-OLZOCXBDSA-N 2 1 283.416 0.312 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220359234 804581929 /nfs/dbraw/zinc/58/19/29/804581929.db2.gz GBMCDPOJKRYTOP-OLZOCXBDSA-N 2 1 283.416 0.312 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220359234 804581935 /nfs/dbraw/zinc/58/19/35/804581935.db2.gz GBMCDPOJKRYTOP-OLZOCXBDSA-N 2 1 283.416 0.312 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220359234 804581938 /nfs/dbraw/zinc/58/19/38/804581938.db2.gz GBMCDPOJKRYTOP-OLZOCXBDSA-N 2 1 283.416 0.312 20 30 CCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220582793 804630002 /nfs/dbraw/zinc/63/00/02/804630002.db2.gz DVHFLGZDNDJSFD-ZNMIVQPWSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221096425 804730189 /nfs/dbraw/zinc/73/01/89/804730189.db2.gz SMANOGWKEXPCQG-ILXRZTDVSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221096425 804730195 /nfs/dbraw/zinc/73/01/95/804730195.db2.gz SMANOGWKEXPCQG-ILXRZTDVSA-N 2 1 295.427 0.454 20 30 CCEDMP C#CC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001272178307 815038214 /nfs/dbraw/zinc/03/82/14/815038214.db2.gz GRMQTPJEFGISQJ-ZIAGYGMSSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001272178307 815038221 /nfs/dbraw/zinc/03/82/21/815038221.db2.gz GRMQTPJEFGISQJ-ZIAGYGMSSA-N 2 1 265.401 0.883 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001278368750 807041357 /nfs/dbraw/zinc/04/13/57/807041357.db2.gz GRWMZKKYSQMTDK-GOEBONIOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278368750 807041365 /nfs/dbraw/zinc/04/13/65/807041365.db2.gz GRWMZKKYSQMTDK-GOEBONIOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278368750 807041374 /nfs/dbraw/zinc/04/13/74/807041374.db2.gz GRWMZKKYSQMTDK-GOEBONIOSA-N 2 1 295.427 0.864 20 30 CCEDMP N#C[C@@H]1C[C@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CCN1 ZINC001246555395 807285911 /nfs/dbraw/zinc/28/59/11/807285911.db2.gz GKBAXBIMWTVJFJ-GARJFASQSA-N 2 1 258.316 0.546 20 30 CCEDMP N#C[C@@H]1C[C@H]([N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CCN1 ZINC001246555395 807285913 /nfs/dbraw/zinc/28/59/13/807285913.db2.gz GKBAXBIMWTVJFJ-GARJFASQSA-N 2 1 258.316 0.546 20 30 CCEDMP C[C@@H]1CC[N@H+]([C@H]2CCN[C@H](C#N)C2)CC[C@H]1C[NH3+] ZINC001246558634 807287973 /nfs/dbraw/zinc/28/79/73/807287973.db2.gz NOKGMNSBYCRBPL-RFGFWPKPSA-N 2 1 250.390 0.937 20 30 CCEDMP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC001252491009 807892190 /nfs/dbraw/zinc/89/21/90/807892190.db2.gz MLROKWNVFTULJP-AWEZNQCLSA-N 2 1 272.389 0.250 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001278910717 808470734 /nfs/dbraw/zinc/47/07/34/808470734.db2.gz JTJJHZSZYCLJQX-UHFFFAOYSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001264405515 809652240 /nfs/dbraw/zinc/65/22/40/809652240.db2.gz FIIPMMLUBLEMEQ-GASCZTMLSA-N 2 1 295.427 0.769 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001076604527 815319170 /nfs/dbraw/zinc/31/91/70/815319170.db2.gz KIJKGFSQTNPCKU-DLBZAZTESA-N 2 1 299.418 0.498 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265624697 809816375 /nfs/dbraw/zinc/81/63/75/809816375.db2.gz XOEUCRKMJGPFON-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001279114530 809969539 /nfs/dbraw/zinc/96/95/39/809969539.db2.gz SARSUFQNHORKHS-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001267302091 811121116 /nfs/dbraw/zinc/12/11/16/811121116.db2.gz LUMGORJYADFDFO-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CCC[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001267335508 811172379 /nfs/dbraw/zinc/17/23/79/811172379.db2.gz XPTDVOXLZIRCIJ-UHFFFAOYSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CCC[N@H+](CCNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001267335508 811172384 /nfs/dbraw/zinc/17/23/84/811172384.db2.gz XPTDVOXLZIRCIJ-UHFFFAOYSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001267483711 811368074 /nfs/dbraw/zinc/36/80/74/811368074.db2.gz CQPMTZZRTTVDNH-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027886843 812118544 /nfs/dbraw/zinc/11/85/44/812118544.db2.gz YPKQAKBWELMILV-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027894259 812125996 /nfs/dbraw/zinc/12/59/96/812125996.db2.gz LKMBUWVJSISBBT-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027894259 812126002 /nfs/dbraw/zinc/12/60/02/812126002.db2.gz LKMBUWVJSISBBT-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027894259 812126006 /nfs/dbraw/zinc/12/60/06/812126006.db2.gz LKMBUWVJSISBBT-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC#C ZINC001027944526 812156879 /nfs/dbraw/zinc/15/68/79/812156879.db2.gz ZCKQZASUUGGJKN-CVEARBPZSA-N 2 1 287.407 0.688 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268099735 812258277 /nfs/dbraw/zinc/25/82/77/812258277.db2.gz HPCSDQKTUPMAPP-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001268256820 812423739 /nfs/dbraw/zinc/42/37/39/812423739.db2.gz LRDNWPGUIBANHH-ZDUSSCGKSA-N 2 1 253.390 0.904 20 30 CCEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268256820 812423743 /nfs/dbraw/zinc/42/37/43/812423743.db2.gz LRDNWPGUIBANHH-ZDUSSCGKSA-N 2 1 253.390 0.904 20 30 CCEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268256820 812423747 /nfs/dbraw/zinc/42/37/47/812423747.db2.gz LRDNWPGUIBANHH-ZDUSSCGKSA-N 2 1 253.390 0.904 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001028329100 812624000 /nfs/dbraw/zinc/62/40/00/812624000.db2.gz GEWBSDPWJLNVIC-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001028329100 812624005 /nfs/dbraw/zinc/62/40/05/812624005.db2.gz GEWBSDPWJLNVIC-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329100 812624008 /nfs/dbraw/zinc/62/40/08/812624008.db2.gz GEWBSDPWJLNVIC-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329100 812624014 /nfs/dbraw/zinc/62/40/14/812624014.db2.gz GEWBSDPWJLNVIC-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@@H](CC)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001269424573 813366291 /nfs/dbraw/zinc/36/62/91/813366291.db2.gz HSESZASTCGPOMC-NSHDSACASA-N 2 1 278.356 0.467 20 30 CCEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758353 813446191 /nfs/dbraw/zinc/44/61/91/813446191.db2.gz QWLVATUQNJRPLS-CABCVRRESA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758353 813446194 /nfs/dbraw/zinc/44/61/94/813446194.db2.gz QWLVATUQNJRPLS-CABCVRRESA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758353 813446197 /nfs/dbraw/zinc/44/61/97/813446197.db2.gz QWLVATUQNJRPLS-CABCVRRESA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758524 813448030 /nfs/dbraw/zinc/44/80/30/813448030.db2.gz QWLVATUQNJRPLS-LSDHHAIUSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271206791 814334267 /nfs/dbraw/zinc/33/42/67/814334267.db2.gz HTPDEDCSLSGZFD-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199490 814443978 /nfs/dbraw/zinc/44/39/78/814443978.db2.gz QFMIYPXIPUKLCN-ILXRZTDVSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199490 814443983 /nfs/dbraw/zinc/44/39/83/814443983.db2.gz QFMIYPXIPUKLCN-ILXRZTDVSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001088286709 814574797 /nfs/dbraw/zinc/57/47/97/814574797.db2.gz HLOAXWZXNWEGML-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001088286709 814574804 /nfs/dbraw/zinc/57/48/04/814574804.db2.gz HLOAXWZXNWEGML-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001271820257 814594028 /nfs/dbraw/zinc/59/40/28/814594028.db2.gz AGQHTCXMMSYWBB-KBPBESRZSA-N 2 1 283.416 0.624 20 30 CCEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001271820257 814594030 /nfs/dbraw/zinc/59/40/30/814594030.db2.gz AGQHTCXMMSYWBB-KBPBESRZSA-N 2 1 283.416 0.624 20 30 CCEDMP C#CCC[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001271869815 814616446 /nfs/dbraw/zinc/61/64/46/814616446.db2.gz RGIBFUJRRBEJPT-CQSZACIVSA-N 2 1 276.384 0.945 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105941585 816017469 /nfs/dbraw/zinc/01/74/69/816017469.db2.gz CSSLRRORYVVXQT-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC001121931744 816486782 /nfs/dbraw/zinc/48/67/82/816486782.db2.gz ROBBYELPWJZWIE-IJLUTSLNSA-N 2 1 250.346 0.087 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031259822 816909747 /nfs/dbraw/zinc/90/97/47/816909747.db2.gz GTUKWZYAIWKFNK-GFCCVEGCSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001031259822 816909750 /nfs/dbraw/zinc/90/97/50/816909750.db2.gz GTUKWZYAIWKFNK-GFCCVEGCSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668605 817231973 /nfs/dbraw/zinc/23/19/73/817231973.db2.gz KTRJQGPOCIZJQS-GJZGRUSLSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668605 817231980 /nfs/dbraw/zinc/23/19/80/817231980.db2.gz KTRJQGPOCIZJQS-GJZGRUSLSA-N 2 1 275.396 0.542 20 30 CCEDMP C=CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031774193 817356534 /nfs/dbraw/zinc/35/65/34/817356534.db2.gz RMAWAMXPBSXABT-CYBMUJFWSA-N 2 1 251.374 0.705 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031975929 817513155 /nfs/dbraw/zinc/51/31/55/817513155.db2.gz BSISFZWKBABFDA-JSGCOSHPSA-N 2 1 263.385 0.255 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031975929 817513162 /nfs/dbraw/zinc/51/31/62/817513162.db2.gz BSISFZWKBABFDA-JSGCOSHPSA-N 2 1 263.385 0.255 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114998229 817865039 /nfs/dbraw/zinc/86/50/39/817865039.db2.gz QAUUVTVYNITRQF-FOLVSLTJSA-N 2 1 295.427 0.577 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC001032827224 818125631 /nfs/dbraw/zinc/12/56/31/818125631.db2.gz NECMYVTUCRFTLH-KKUMJFAQSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCN1CC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033426011 818773600 /nfs/dbraw/zinc/77/36/00/818773600.db2.gz MUNZICWHFKLBLK-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426011 818773605 /nfs/dbraw/zinc/77/36/05/818773605.db2.gz MUNZICWHFKLBLK-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426011 818773610 /nfs/dbraw/zinc/77/36/10/818773610.db2.gz MUNZICWHFKLBLK-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033426011 818773626 /nfs/dbraw/zinc/77/36/26/818773626.db2.gz MUNZICWHFKLBLK-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001034048251 819044685 /nfs/dbraw/zinc/04/46/85/819044685.db2.gz NPKDPHGRWHGTIP-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001034048251 819044694 /nfs/dbraw/zinc/04/46/94/819044694.db2.gz NPKDPHGRWHGTIP-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034215325 819128303 /nfs/dbraw/zinc/12/83/03/819128303.db2.gz XWVXLGAWCMCHBM-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034215325 819128306 /nfs/dbraw/zinc/12/83/06/819128306.db2.gz XWVXLGAWCMCHBM-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034215325 819128309 /nfs/dbraw/zinc/12/83/09/819128309.db2.gz XWVXLGAWCMCHBM-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034738465 819318049 /nfs/dbraw/zinc/31/80/49/819318049.db2.gz SYUPYJATWKXKGJ-ZQDZILKHSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035794210 819625676 /nfs/dbraw/zinc/62/56/76/819625676.db2.gz ANCCXZIBWMYFNM-CABCVRRESA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001036218391 819713697 /nfs/dbraw/zinc/71/36/97/819713697.db2.gz KRCGSKJEMSYNOJ-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080441476 820576079 /nfs/dbraw/zinc/57/60/79/820576079.db2.gz MZRJGYVEAGEEDK-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080441476 820576085 /nfs/dbraw/zinc/57/60/85/820576085.db2.gz MZRJGYVEAGEEDK-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001080441476 820576090 /nfs/dbraw/zinc/57/60/90/820576090.db2.gz MZRJGYVEAGEEDK-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001080441476 820576095 /nfs/dbraw/zinc/57/60/95/820576095.db2.gz MZRJGYVEAGEEDK-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001080442588 820577622 /nfs/dbraw/zinc/57/76/22/820577622.db2.gz GIPXGAKSLKGTGD-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001080442588 820577625 /nfs/dbraw/zinc/57/76/25/820577625.db2.gz GIPXGAKSLKGTGD-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001080442588 820577632 /nfs/dbraw/zinc/57/76/32/820577632.db2.gz GIPXGAKSLKGTGD-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001080976927 820659800 /nfs/dbraw/zinc/65/98/00/820659800.db2.gz OYYWVRMGGZKIIB-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001080976927 820659805 /nfs/dbraw/zinc/65/98/05/820659805.db2.gz OYYWVRMGGZKIIB-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080976927 820659810 /nfs/dbraw/zinc/65/98/10/820659810.db2.gz OYYWVRMGGZKIIB-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080976927 820659816 /nfs/dbraw/zinc/65/98/16/820659816.db2.gz OYYWVRMGGZKIIB-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2C)CC1 ZINC001080997621 820668829 /nfs/dbraw/zinc/66/88/29/820668829.db2.gz HCODEJAZMGSGJT-UKRRQHHQSA-N 2 1 295.402 0.738 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2C)CC1 ZINC001080997621 820668836 /nfs/dbraw/zinc/66/88/36/820668836.db2.gz HCODEJAZMGSGJT-UKRRQHHQSA-N 2 1 295.402 0.738 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691585 820819324 /nfs/dbraw/zinc/81/93/24/820819324.db2.gz FAUTXEJZZTWLLN-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691585 820819331 /nfs/dbraw/zinc/81/93/31/820819331.db2.gz FAUTXEJZZTWLLN-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691585 820819339 /nfs/dbraw/zinc/81/93/39/820819339.db2.gz FAUTXEJZZTWLLN-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082134071 820906152 /nfs/dbraw/zinc/90/61/52/820906152.db2.gz ZGYRKZMGGJWMFG-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083023776 821112844 /nfs/dbraw/zinc/11/28/44/821112844.db2.gz OSQPSICFYNKWDY-QLFBSQMISA-N 2 1 293.411 0.568 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023776 821112849 /nfs/dbraw/zinc/11/28/49/821112849.db2.gz OSQPSICFYNKWDY-QLFBSQMISA-N 2 1 293.411 0.568 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023776 821112852 /nfs/dbraw/zinc/11/28/52/821112852.db2.gz OSQPSICFYNKWDY-QLFBSQMISA-N 2 1 293.411 0.568 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084231418 821246004 /nfs/dbraw/zinc/24/60/04/821246004.db2.gz ABWKWUIPDMRNRJ-QLFBSQMISA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084231418 821246011 /nfs/dbraw/zinc/24/60/11/821246011.db2.gz ABWKWUIPDMRNRJ-QLFBSQMISA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084231418 821246019 /nfs/dbraw/zinc/24/60/19/821246019.db2.gz ABWKWUIPDMRNRJ-QLFBSQMISA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001084970142 821445465 /nfs/dbraw/zinc/44/54/65/821445465.db2.gz QEEFNBDIDLOTMA-KFWWJZLASA-N 2 1 277.412 0.883 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086090521 822110043 /nfs/dbraw/zinc/11/00/43/822110043.db2.gz CRRYQMXBRGKJGV-YIYPIFLZSA-N 2 1 265.401 0.997 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328443 822180480 /nfs/dbraw/zinc/18/04/80/822180480.db2.gz PMFJPCPFCCGMPG-CQSZACIVSA-N 2 1 265.401 0.693 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400314 822239665 /nfs/dbraw/zinc/23/96/65/822239665.db2.gz BIDJUYJKWQLPIT-AAVRWANBSA-N 2 1 281.400 0.376 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400314 822239674 /nfs/dbraw/zinc/23/96/74/822239674.db2.gz BIDJUYJKWQLPIT-AAVRWANBSA-N 2 1 281.400 0.376 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129423130 837504593 /nfs/dbraw/zinc/50/45/93/837504593.db2.gz QCYAQKNTWGRXCT-OAHLLOKOSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C=C\Cl ZINC001129790886 837556315 /nfs/dbraw/zinc/55/63/15/837556315.db2.gz MJNOIQLMGOOKGE-RNZFLTOJSA-N 2 1 269.776 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C=C\Cl ZINC001129790886 837556319 /nfs/dbraw/zinc/55/63/19/837556319.db2.gz MJNOIQLMGOOKGE-RNZFLTOJSA-N 2 1 269.776 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](F)CC ZINC001129771056 837558745 /nfs/dbraw/zinc/55/87/45/837558745.db2.gz PGVGXACOEKKYBJ-STQMWFEESA-N 2 1 269.364 0.538 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](F)CC ZINC001129771056 837558754 /nfs/dbraw/zinc/55/87/54/837558754.db2.gz PGVGXACOEKKYBJ-STQMWFEESA-N 2 1 269.364 0.538 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183648656 844055555 /nfs/dbraw/zinc/05/55/55/844055555.db2.gz XOLQETTXUYIYEJ-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001108323486 835972296 /nfs/dbraw/zinc/97/22/96/835972296.db2.gz KGMVEEVSTFLXMR-MRXNPFEDSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001108323486 835972286 /nfs/dbraw/zinc/97/22/86/835972286.db2.gz KGMVEEVSTFLXMR-MRXNPFEDSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108323486 835972302 /nfs/dbraw/zinc/97/23/02/835972302.db2.gz KGMVEEVSTFLXMR-MRXNPFEDSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108323486 835972306 /nfs/dbraw/zinc/97/23/06/835972306.db2.gz KGMVEEVSTFLXMR-MRXNPFEDSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108832157 836536764 /nfs/dbraw/zinc/53/67/64/836536764.db2.gz OHHRFTSERBKUIQ-KKUMJFAQSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001112578557 836798840 /nfs/dbraw/zinc/79/88/40/836798840.db2.gz USYYJKRDGDGNCV-ZOBUZTSGSA-N 2 1 289.423 0.790 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001086558841 836919077 /nfs/dbraw/zinc/91/90/77/836919077.db2.gz WFTFCUUUMHOOQF-RBSFLKMASA-N 2 1 277.412 0.978 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845891 838745129 /nfs/dbraw/zinc/74/51/29/838745129.db2.gz PMHYOEIYPZVSRC-ZDUSSCGKSA-N 2 1 269.389 0.237 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001159869166 839613721 /nfs/dbraw/zinc/61/37/21/839613721.db2.gz UMDWJAJAKBVKGR-OAHLLOKOSA-N 2 1 295.427 0.912 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730095 839760985 /nfs/dbraw/zinc/76/09/85/839760985.db2.gz FWZCNRDPXAFMHJ-UONOGXRCSA-N 2 1 293.411 0.210 20 30 CCEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001187298762 844700709 /nfs/dbraw/zinc/70/07/09/844700709.db2.gz NYIFLTUDOYGULQ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176636211 842393452 /nfs/dbraw/zinc/39/34/52/842393452.db2.gz LYFBNHGIJRLCRS-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176636211 842393459 /nfs/dbraw/zinc/39/34/59/842393459.db2.gz LYFBNHGIJRLCRS-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176636635 842393718 /nfs/dbraw/zinc/39/37/18/842393718.db2.gz REEARJJWLDNYLR-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176636635 842393729 /nfs/dbraw/zinc/39/37/29/842393729.db2.gz REEARJJWLDNYLR-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178360106 842831283 /nfs/dbraw/zinc/83/12/83/842831283.db2.gz LBEFAHNGWQJMIC-IHRRRGAJSA-N 2 1 263.385 0.683 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CN1CCN(C)CC1 ZINC001178956425 842948170 /nfs/dbraw/zinc/94/81/70/842948170.db2.gz SBIXJNOWTFNEPP-AWEZNQCLSA-N 2 1 280.416 0.000 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC001178956425 842948181 /nfs/dbraw/zinc/94/81/81/842948181.db2.gz SBIXJNOWTFNEPP-AWEZNQCLSA-N 2 1 280.416 0.000 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3ccnc3)[C@@H]2C1 ZINC001190459247 845408265 /nfs/dbraw/zinc/40/82/65/845408265.db2.gz ZHRKUSUXLNZODZ-LSDHHAIUSA-N 2 1 286.379 0.829 20 30 CCEDMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001192386863 845835697 /nfs/dbraw/zinc/83/56/97/845835697.db2.gz SGYHUDBMSVTKFS-GJZGRUSLSA-N 2 1 295.427 0.509 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002290 846203383 /nfs/dbraw/zinc/20/33/83/846203383.db2.gz QSXPFAIFBRUMCC-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002290 846203393 /nfs/dbraw/zinc/20/33/93/846203393.db2.gz QSXPFAIFBRUMCC-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002290 846203402 /nfs/dbraw/zinc/20/34/02/846203402.db2.gz QSXPFAIFBRUMCC-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001194997929 846438141 /nfs/dbraw/zinc/43/81/41/846438141.db2.gz UXNHQOOSIPNOOF-ZIAGYGMSSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001194997929 846438144 /nfs/dbraw/zinc/43/81/44/846438144.db2.gz UXNHQOOSIPNOOF-ZIAGYGMSSA-N 2 1 293.411 0.045 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200536897 847645879 /nfs/dbraw/zinc/64/58/79/847645879.db2.gz IQPKORFMQWLGPH-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200696909 847680700 /nfs/dbraw/zinc/68/07/00/847680700.db2.gz WRBWLPDXSSVKMA-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201240811 847745766 /nfs/dbraw/zinc/74/57/66/847745766.db2.gz ZMLVWLPHARZRFA-UKRRQHHQSA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201240811 847745769 /nfs/dbraw/zinc/74/57/69/847745769.db2.gz ZMLVWLPHARZRFA-UKRRQHHQSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110715193 847983268 /nfs/dbraw/zinc/98/32/68/847983268.db2.gz RKSRXLFMAMQTTF-SYQHCUMBSA-N 2 1 263.385 0.681 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110715193 847983272 /nfs/dbraw/zinc/98/32/72/847983272.db2.gz RKSRXLFMAMQTTF-SYQHCUMBSA-N 2 1 263.385 0.681 20 30 CCEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@@H+](C)C1CC1 ZINC000884210828 848212419 /nfs/dbraw/zinc/21/24/19/848212419.db2.gz KVTGKFXXHPHJAS-ISGSLZAZSA-N 2 1 290.411 0.725 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=C)C ZINC001274096525 848348459 /nfs/dbraw/zinc/34/84/59/848348459.db2.gz GGBVAYXERMYPKC-NFAHFFEMSA-N 2 1 275.396 0.922 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=C)C ZINC001274096525 848348465 /nfs/dbraw/zinc/34/84/65/848348465.db2.gz GGBVAYXERMYPKC-NFAHFFEMSA-N 2 1 275.396 0.922 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001274732190 848554075 /nfs/dbraw/zinc/55/40/75/848554075.db2.gz XDDWMOWUAZDCCN-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001274964325 848601750 /nfs/dbraw/zinc/60/17/50/848601750.db2.gz IRFJWNQKJARNBL-GJZGRUSLSA-N 2 1 267.417 0.899 20 30 CCEDMP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001275882878 848856840 /nfs/dbraw/zinc/85/68/40/848856840.db2.gz VJQBOLJVZRVOMT-ZDUSSCGKSA-N 2 1 292.383 0.278 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001275882878 848856843 /nfs/dbraw/zinc/85/68/43/848856843.db2.gz VJQBOLJVZRVOMT-ZDUSSCGKSA-N 2 1 292.383 0.278 20 30 CCEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774793 849392873 /nfs/dbraw/zinc/39/28/73/849392873.db2.gz UYYPWNWWIOFSTG-PJXYFTJBSA-N 2 1 271.792 0.737 20 30 CCEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774793 849392877 /nfs/dbraw/zinc/39/28/77/849392877.db2.gz UYYPWNWWIOFSTG-PJXYFTJBSA-N 2 1 271.792 0.737 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001042746584 850749616 /nfs/dbraw/zinc/74/96/16/850749616.db2.gz FDXREMBNLVHCOY-TZMCWYRMSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001042746584 850749626 /nfs/dbraw/zinc/74/96/26/850749626.db2.gz FDXREMBNLVHCOY-TZMCWYRMSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048817531 852072986 /nfs/dbraw/zinc/07/29/86/852072986.db2.gz OQLKJLAXTBJMMY-XHSDSOJGSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817531 852072992 /nfs/dbraw/zinc/07/29/92/852072992.db2.gz OQLKJLAXTBJMMY-XHSDSOJGSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817531 852073000 /nfs/dbraw/zinc/07/30/00/852073000.db2.gz OQLKJLAXTBJMMY-XHSDSOJGSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059707 852152934 /nfs/dbraw/zinc/15/29/34/852152934.db2.gz DRQXALVHAWPUGY-KBXIAJHMSA-N 2 1 275.396 0.208 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059707 852152935 /nfs/dbraw/zinc/15/29/35/852152935.db2.gz DRQXALVHAWPUGY-KBXIAJHMSA-N 2 1 275.396 0.208 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059707 852152937 /nfs/dbraw/zinc/15/29/37/852152937.db2.gz DRQXALVHAWPUGY-KBXIAJHMSA-N 2 1 275.396 0.208 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049172608 852182636 /nfs/dbraw/zinc/18/26/36/852182636.db2.gz YSATVBYQNNAKTP-KFWWJZLASA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049172608 852182643 /nfs/dbraw/zinc/18/26/43/852182643.db2.gz YSATVBYQNNAKTP-KFWWJZLASA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049172608 852182649 /nfs/dbraw/zinc/18/26/49/852182649.db2.gz YSATVBYQNNAKTP-KFWWJZLASA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001096543277 852303948 /nfs/dbraw/zinc/30/39/48/852303948.db2.gz NLFYSDRKCSUXFG-CRWXNKLISA-N 2 1 263.385 0.846 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001096543277 852303961 /nfs/dbraw/zinc/30/39/61/852303961.db2.gz NLFYSDRKCSUXFG-CRWXNKLISA-N 2 1 263.385 0.846 20 30 CCEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001096543277 852303939 /nfs/dbraw/zinc/30/39/39/852303939.db2.gz NLFYSDRKCSUXFG-CRWXNKLISA-N 2 1 263.385 0.846 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052865615 852663425 /nfs/dbraw/zinc/66/34/25/852663425.db2.gz QDLZARCKAVQXCO-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052865615 852663427 /nfs/dbraw/zinc/66/34/27/852663427.db2.gz QDLZARCKAVQXCO-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052865615 852663430 /nfs/dbraw/zinc/66/34/30/852663430.db2.gz QDLZARCKAVQXCO-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001052948419 852675257 /nfs/dbraw/zinc/67/52/57/852675257.db2.gz FMTJERDSXWBRQG-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052948419 852675262 /nfs/dbraw/zinc/67/52/62/852675262.db2.gz FMTJERDSXWBRQG-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052948419 852675265 /nfs/dbraw/zinc/67/52/65/852675265.db2.gz FMTJERDSXWBRQG-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052948419 852675268 /nfs/dbraw/zinc/67/52/68/852675268.db2.gz FMTJERDSXWBRQG-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001052948435 852676311 /nfs/dbraw/zinc/67/63/11/852676311.db2.gz GATYMHMXOFIXNU-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052948435 852676316 /nfs/dbraw/zinc/67/63/16/852676316.db2.gz GATYMHMXOFIXNU-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052948435 852676322 /nfs/dbraw/zinc/67/63/22/852676322.db2.gz GATYMHMXOFIXNU-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052948435 852676328 /nfs/dbraw/zinc/67/63/28/852676328.db2.gz GATYMHMXOFIXNU-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052275106 853720741 /nfs/dbraw/zinc/72/07/41/853720741.db2.gz GUSDALPSXGIJSD-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052275106 853720747 /nfs/dbraw/zinc/72/07/47/853720747.db2.gz GUSDALPSXGIJSD-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052275106 853720751 /nfs/dbraw/zinc/72/07/51/853720751.db2.gz GUSDALPSXGIJSD-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052275106 853720754 /nfs/dbraw/zinc/72/07/54/853720754.db2.gz GUSDALPSXGIJSD-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052276172 853723556 /nfs/dbraw/zinc/72/35/56/853723556.db2.gz YMVSCFGPXJBMPP-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052276172 853723560 /nfs/dbraw/zinc/72/35/60/853723560.db2.gz YMVSCFGPXJBMPP-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052276172 853723563 /nfs/dbraw/zinc/72/35/63/853723563.db2.gz YMVSCFGPXJBMPP-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052276172 853723566 /nfs/dbraw/zinc/72/35/66/853723566.db2.gz YMVSCFGPXJBMPP-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072577670 854419539 /nfs/dbraw/zinc/41/95/39/854419539.db2.gz ACXQXJXDGZZGKZ-ZDUSSCGKSA-N 2 1 279.384 0.037 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072577670 854419543 /nfs/dbraw/zinc/41/95/43/854419543.db2.gz ACXQXJXDGZZGKZ-ZDUSSCGKSA-N 2 1 279.384 0.037 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072577670 854419549 /nfs/dbraw/zinc/41/95/49/854419549.db2.gz ACXQXJXDGZZGKZ-ZDUSSCGKSA-N 2 1 279.384 0.037 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072577670 854419555 /nfs/dbraw/zinc/41/95/55/854419555.db2.gz ACXQXJXDGZZGKZ-ZDUSSCGKSA-N 2 1 279.384 0.037 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC=C)C2 ZINC001072822674 854472256 /nfs/dbraw/zinc/47/22/56/854472256.db2.gz SJMSCHAUYBSPAY-HNNXBMFYSA-N 2 1 287.407 0.804 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC=C)C2 ZINC001072822674 854472247 /nfs/dbraw/zinc/47/22/47/854472247.db2.gz SJMSCHAUYBSPAY-HNNXBMFYSA-N 2 1 287.407 0.804 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC=C)C2 ZINC001072822674 854472252 /nfs/dbraw/zinc/47/22/52/854472252.db2.gz SJMSCHAUYBSPAY-HNNXBMFYSA-N 2 1 287.407 0.804 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC=C)C2 ZINC001072822674 854472260 /nfs/dbraw/zinc/47/22/60/854472260.db2.gz SJMSCHAUYBSPAY-HNNXBMFYSA-N 2 1 287.407 0.804 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001072851511 854480535 /nfs/dbraw/zinc/48/05/35/854480535.db2.gz YSGGMHKYZBHSKG-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073553872 854593691 /nfs/dbraw/zinc/59/36/91/854593691.db2.gz AXBLZVBKOXZOAE-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073553872 854593701 /nfs/dbraw/zinc/59/37/01/854593701.db2.gz AXBLZVBKOXZOAE-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073553872 854593712 /nfs/dbraw/zinc/59/37/12/854593712.db2.gz AXBLZVBKOXZOAE-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001099164363 854917799 /nfs/dbraw/zinc/91/77/99/854917799.db2.gz ZIPMUCFEKDWVBJ-HOCLYGCPSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001099164363 854917811 /nfs/dbraw/zinc/91/78/11/854917811.db2.gz ZIPMUCFEKDWVBJ-HOCLYGCPSA-N 2 1 275.396 0.686 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099969582 855056490 /nfs/dbraw/zinc/05/64/90/855056490.db2.gz KSUZSQXQARWFBA-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100083105 855097592 /nfs/dbraw/zinc/09/75/92/855097592.db2.gz NGERIRQMMUASHM-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100083105 855097598 /nfs/dbraw/zinc/09/75/98/855097598.db2.gz NGERIRQMMUASHM-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100083105 855097606 /nfs/dbraw/zinc/09/76/06/855097606.db2.gz NGERIRQMMUASHM-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070583 855413103 /nfs/dbraw/zinc/41/31/03/855413103.db2.gz OKNAIAABLJFCCQ-KFWWJZLASA-N 2 1 279.428 0.890 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCC ZINC001115149595 855647175 /nfs/dbraw/zinc/64/71/75/855647175.db2.gz BYGWLWQJLRSTTR-IMRBUKKESA-N 2 1 251.374 0.561 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115149595 855647178 /nfs/dbraw/zinc/64/71/78/855647178.db2.gz BYGWLWQJLRSTTR-IMRBUKKESA-N 2 1 251.374 0.561 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115149595 855647182 /nfs/dbraw/zinc/64/71/82/855647182.db2.gz BYGWLWQJLRSTTR-IMRBUKKESA-N 2 1 251.374 0.561 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001325029277 913159463 /nfs/dbraw/zinc/15/94/63/913159463.db2.gz SOHVGHCMRAAHOH-CQSZACIVSA-N 2 1 295.427 0.769 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001481066978 892126117 /nfs/dbraw/zinc/12/61/17/892126117.db2.gz YNWQFTAWKUKCAK-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481066978 892126125 /nfs/dbraw/zinc/12/61/25/892126125.db2.gz YNWQFTAWKUKCAK-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001481066978 892126139 /nfs/dbraw/zinc/12/61/39/892126139.db2.gz YNWQFTAWKUKCAK-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001481070097 892129199 /nfs/dbraw/zinc/12/91/99/892129199.db2.gz MKTVTWYPAQNXAE-ZDUSSCGKSA-N 2 1 251.374 0.849 20 30 CCEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481980420 893297596 /nfs/dbraw/zinc/29/75/96/893297596.db2.gz ZUBFRZCETNZWIZ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001503116888 894189654 /nfs/dbraw/zinc/18/96/54/894189654.db2.gz ABUXMGKVIQOKGK-STQMWFEESA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCCF ZINC001482929686 894704234 /nfs/dbraw/zinc/70/42/34/894704234.db2.gz FVDINGFMLJCOJX-AWEZNQCLSA-N 2 1 283.391 0.882 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCCF ZINC001482929686 894704240 /nfs/dbraw/zinc/70/42/40/894704240.db2.gz FVDINGFMLJCOJX-AWEZNQCLSA-N 2 1 283.391 0.882 20 30 CCEDMP C=CC[NH2+]C/C=C/CNC(=O)CC[NH+]1CCOCC1 ZINC001483070910 894874607 /nfs/dbraw/zinc/87/46/07/894874607.db2.gz DGBNSOFPUAMVAQ-ONEGZZNKSA-N 2 1 267.373 0.157 20 30 CCEDMP CC#CC[NH2+]CCCN(C)C(=O)CC[N@H+](C)CC ZINC001483502369 895616297 /nfs/dbraw/zinc/61/62/97/895616297.db2.gz UAPXRRDRTTYABG-UHFFFAOYSA-N 2 1 253.390 0.790 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001483939289 896126657 /nfs/dbraw/zinc/12/66/57/896126657.db2.gz JMAHCWRWVACOQP-CYBMUJFWSA-N 2 1 260.341 0.405 20 30 CCEDMP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001484355028 896352702 /nfs/dbraw/zinc/35/27/02/896352702.db2.gz NVWOGWQSGSHEGX-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484450609 896410561 /nfs/dbraw/zinc/41/05/61/896410561.db2.gz UBQIPIIVQCOTKR-HIFRSBDPSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484450609 896410574 /nfs/dbraw/zinc/41/05/74/896410574.db2.gz UBQIPIIVQCOTKR-HIFRSBDPSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484450609 896410585 /nfs/dbraw/zinc/41/05/85/896410585.db2.gz UBQIPIIVQCOTKR-HIFRSBDPSA-N 2 1 281.400 0.067 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001485077572 896756768 /nfs/dbraw/zinc/75/67/68/896756768.db2.gz OUFYQLVDLFGGIO-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C=CC[NH2+]CC1CC(NC(=O)C[N@H+](C)CCC)C1 ZINC001485109389 896786082 /nfs/dbraw/zinc/78/60/82/896786082.db2.gz YYPWEWQNLUGTPR-UHFFFAOYSA-N 2 1 253.390 0.999 20 30 CCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001326798420 914183678 /nfs/dbraw/zinc/18/36/78/914183678.db2.gz NTGOEFJPEWEINW-CQSZACIVSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108022334 898143956 /nfs/dbraw/zinc/14/39/56/898143956.db2.gz HAJJSDUWXQZIPT-ZBFHGGJFSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108022334 898143966 /nfs/dbraw/zinc/14/39/66/898143966.db2.gz HAJJSDUWXQZIPT-ZBFHGGJFSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001485854796 898463540 /nfs/dbraw/zinc/46/35/40/898463540.db2.gz GYNVHLYXHIKCMY-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485943721 898529332 /nfs/dbraw/zinc/52/93/32/898529332.db2.gz CSUSNYRIVXLLGQ-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486312382 898789364 /nfs/dbraw/zinc/78/93/64/898789364.db2.gz YLMPGXGYLULJLV-HUUCEWRRSA-N 2 1 297.443 0.703 20 30 CCEDMP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCOC ZINC001486428768 898869457 /nfs/dbraw/zinc/86/94/57/898869457.db2.gz RVLCIDCLMBZZRW-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCOC ZINC001486428768 898869466 /nfs/dbraw/zinc/86/94/66/898869466.db2.gz RVLCIDCLMBZZRW-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCOC ZINC001486428768 898869483 /nfs/dbraw/zinc/86/94/83/898869483.db2.gz RVLCIDCLMBZZRW-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001489169284 900435313 /nfs/dbraw/zinc/43/53/13/900435313.db2.gz RDYWBQPVYOSGHQ-OAHLLOKOSA-N 2 1 295.427 0.247 20 30 CCEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001297377910 901419767 /nfs/dbraw/zinc/41/97/67/901419767.db2.gz CYGKPAOTCUFZFN-OAHLLOKOSA-N 2 1 297.443 0.921 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001491546278 903671901 /nfs/dbraw/zinc/67/19/01/903671901.db2.gz CMKDZCUYZJOHQO-GHMZBOCLSA-N 2 1 259.781 0.927 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064164 903832101 /nfs/dbraw/zinc/83/21/01/903832101.db2.gz JIUOSLONNZWFGR-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H](C)CC ZINC001246246781 904001876 /nfs/dbraw/zinc/00/18/76/904001876.db2.gz UFQBJUIFRAKHKP-IHRRRGAJSA-N 2 1 295.427 0.814 20 30 CCEDMP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001282205300 904432482 /nfs/dbraw/zinc/43/24/82/904432482.db2.gz DZSWTWSSPAWNLM-CHWSQXEVSA-N 2 1 297.362 0.997 20 30 CCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)Cc1cncn1C ZINC001283421765 904845007 /nfs/dbraw/zinc/84/50/07/904845007.db2.gz MWIUCLTWSPGKRF-UHFFFAOYSA-N 2 1 292.383 0.051 20 30 CCEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001316749428 908677210 /nfs/dbraw/zinc/67/72/10/908677210.db2.gz UBMYWUOJSITOCO-HUUCEWRRSA-N 2 1 295.427 0.409 20 30 CCEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001316749428 908677213 /nfs/dbraw/zinc/67/72/13/908677213.db2.gz UBMYWUOJSITOCO-HUUCEWRRSA-N 2 1 295.427 0.409 20 30 CCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001316749428 908677216 /nfs/dbraw/zinc/67/72/16/908677216.db2.gz UBMYWUOJSITOCO-HUUCEWRRSA-N 2 1 295.427 0.409 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317145446 909013097 /nfs/dbraw/zinc/01/30/97/909013097.db2.gz AUJFQAJYWFSFSC-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317145446 909013109 /nfs/dbraw/zinc/01/31/09/909013109.db2.gz AUJFQAJYWFSFSC-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317316565 909140886 /nfs/dbraw/zinc/14/08/86/909140886.db2.gz JFZGTHCZLMIEHX-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317316565 909140896 /nfs/dbraw/zinc/14/08/96/909140896.db2.gz JFZGTHCZLMIEHX-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317508255 909277652 /nfs/dbraw/zinc/27/76/52/909277652.db2.gz HOYCZACSSQBLCM-ZIAGYGMSSA-N 2 1 265.401 0.786 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317534322 909307963 /nfs/dbraw/zinc/30/79/63/909307963.db2.gz JTXAHUWKLBBIDX-HUUCEWRRSA-N 2 1 293.411 0.026 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317534322 909307983 /nfs/dbraw/zinc/30/79/83/909307983.db2.gz JTXAHUWKLBBIDX-HUUCEWRRSA-N 2 1 293.411 0.026 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317534322 909308000 /nfs/dbraw/zinc/30/80/00/909308000.db2.gz JTXAHUWKLBBIDX-HUUCEWRRSA-N 2 1 293.411 0.026 20 30 CCEDMP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001317623627 909416949 /nfs/dbraw/zinc/41/69/49/909416949.db2.gz VZXFMMKGYXMXNJ-GJZGRUSLSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001318483085 909773503 /nfs/dbraw/zinc/77/35/03/909773503.db2.gz OZBVLQRDTSAXQE-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001318878897 909910875 /nfs/dbraw/zinc/91/08/75/909910875.db2.gz QXOAXNPTOYCHSO-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001318878897 909910887 /nfs/dbraw/zinc/91/08/87/909910887.db2.gz QXOAXNPTOYCHSO-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001328672910 915350422 /nfs/dbraw/zinc/35/04/22/915350422.db2.gz UEVFIZNWYPVXSN-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001329592105 916042614 /nfs/dbraw/zinc/04/26/14/916042614.db2.gz LHWUALMELIZWFF-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001330297940 916536913 /nfs/dbraw/zinc/53/69/13/916536913.db2.gz ROGGNKFVGDTDQO-ZSOGYDGISA-N 2 1 277.412 0.951 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CC2(O)CCOCC2)CC1 ZINC001332289121 918027256 /nfs/dbraw/zinc/02/72/56/918027256.db2.gz YXWAXMRGTKIQNA-OAHLLOKOSA-N 2 1 298.427 0.519 20 30 CCEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001332518807 918241493 /nfs/dbraw/zinc/24/14/93/918241493.db2.gz VNSCPDFFEHKQCE-QLFBSQMISA-N 2 1 297.443 0.702 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001332536957 918265287 /nfs/dbraw/zinc/26/52/87/918265287.db2.gz PJLPIXZPKMHWOB-GJZGRUSLSA-N 2 1 297.443 0.702 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CCC(=O)OCC)CC1 ZINC001336780994 921006835 /nfs/dbraw/zinc/00/68/35/921006835.db2.gz QPIKMOAZDXSBHI-OAHLLOKOSA-N 2 1 296.411 0.768 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001348793178 924804662 /nfs/dbraw/zinc/80/46/62/924804662.db2.gz IIKDWUZPFCOLJG-HIFRSBDPSA-N 2 1 292.427 0.141 20 30 CCEDMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001353289090 925785084 /nfs/dbraw/zinc/78/50/84/925785084.db2.gz WAVDZRDDYOLNBE-QWHCGFSZSA-N 2 1 251.374 0.973 20 30 CCEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000602614417 362714529 /nfs/dbraw/zinc/71/45/29/362714529.db2.gz YMFZUCBQIZNCNG-ZFWWWQNUSA-N 2 1 281.400 0.742 20 30 CCEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000602614417 362714536 /nfs/dbraw/zinc/71/45/36/362714536.db2.gz YMFZUCBQIZNCNG-ZFWWWQNUSA-N 2 1 281.400 0.742 20 30 CCEDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC000602878067 362859513 /nfs/dbraw/zinc/85/95/13/362859513.db2.gz TWEXVJKYCVEKTL-UHFFFAOYSA-N 2 1 250.346 0.044 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)Cn1ccnc1 ZINC000296168250 353934579 /nfs/dbraw/zinc/93/45/79/353934579.db2.gz BGFNGIUUWIGSOQ-CYBMUJFWSA-N 2 1 277.372 0.526 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000363208694 357058670 /nfs/dbraw/zinc/05/86/70/357058670.db2.gz FCAKMKCHNKRBQK-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594439603 360308380 /nfs/dbraw/zinc/30/83/80/360308380.db2.gz SOMUWASYTYZAIZ-BNOWGMLFSA-N 2 1 278.400 0.997 20 30 CCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438849 360309166 /nfs/dbraw/zinc/30/91/66/360309166.db2.gz QABZZKPOKBTUOG-ZIAGYGMSSA-N 2 1 296.415 0.625 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000594439667 360309217 /nfs/dbraw/zinc/30/92/17/360309217.db2.gz YKADELNMPGKJQY-YPMHNXCESA-N 2 1 264.373 0.751 20 30 CCEDMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594442422 360311933 /nfs/dbraw/zinc/31/19/33/360311933.db2.gz FVFKBMWCBXWLFH-ZDUSSCGKSA-N 2 1 266.389 0.950 20 30 CCEDMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595942923 360718860 /nfs/dbraw/zinc/71/88/60/360718860.db2.gz FCCFBISGQJZBMK-OLZOCXBDSA-N 2 1 266.389 0.998 20 30 CCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCCC#N ZINC000596553895 360919900 /nfs/dbraw/zinc/91/99/00/360919900.db2.gz IXRXFUUHNLLCSY-ZDUSSCGKSA-N 2 1 283.420 0.861 20 30 CCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCCC#N ZINC000596553895 360919903 /nfs/dbraw/zinc/91/99/03/360919903.db2.gz IXRXFUUHNLLCSY-ZDUSSCGKSA-N 2 1 283.420 0.861 20 30 CCEDMP C[NH+](C)CCC[N@H+](C)CCNc1ccnc(C#N)n1 ZINC000596424253 360890196 /nfs/dbraw/zinc/89/01/96/360890196.db2.gz DZYYBVSZYYNIIZ-UHFFFAOYSA-N 2 1 262.361 0.066 20 30 CCEDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccnc(C#N)n1 ZINC000596424253 360890199 /nfs/dbraw/zinc/89/01/99/360890199.db2.gz DZYYBVSZYYNIIZ-UHFFFAOYSA-N 2 1 262.361 0.066 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844345 370709819 /nfs/dbraw/zinc/70/98/19/370709819.db2.gz WQCHNWGENQXUFZ-CHWSQXEVSA-N 2 1 251.374 0.714 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844345 370709822 /nfs/dbraw/zinc/70/98/22/370709822.db2.gz WQCHNWGENQXUFZ-CHWSQXEVSA-N 2 1 251.374 0.714 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCC[NH2+]1 ZINC000638729112 375324564 /nfs/dbraw/zinc/32/45/64/375324564.db2.gz YEOFNYSILZVQPD-GXTWGEPZSA-N 2 1 251.374 0.895 20 30 CCEDMP C=CCC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000247962882 389243441 /nfs/dbraw/zinc/24/34/41/389243441.db2.gz GLHLOZWTQSTCLH-LSDHHAIUSA-N 2 1 295.427 0.552 20 30 CCEDMP C=CCC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000247962882 389243443 /nfs/dbraw/zinc/24/34/43/389243443.db2.gz GLHLOZWTQSTCLH-LSDHHAIUSA-N 2 1 295.427 0.552 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N(C)Cc1ccon1 ZINC000261815290 389276943 /nfs/dbraw/zinc/27/69/43/389276943.db2.gz TUIKLOIOGHGHIX-LBPRGKRZSA-N 2 1 265.361 0.776 20 30 CCEDMP C[NH+]1CCN(c2ncccc2CNC(=[NH2+])NC2CC2)CC1 ZINC000264134282 389308392 /nfs/dbraw/zinc/30/83/92/389308392.db2.gz ZEOYQNNSHONTKF-UHFFFAOYSA-N 2 1 288.399 0.400 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000572869756 390808220 /nfs/dbraw/zinc/80/82/20/390808220.db2.gz OBYVBTSIAJNGNE-DTWKUNHWSA-N 2 1 260.288 0.073 20 30 CCEDMP CCC[N@@H+](C)CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000534057354 390888209 /nfs/dbraw/zinc/88/82/09/390888209.db2.gz HKNXLDHGHZZSLN-UHFFFAOYSA-N 2 1 292.387 0.714 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnn1 ZINC000278276940 263046538 /nfs/dbraw/zinc/04/65/38/263046538.db2.gz OSRGAURBFVMRSA-GFCCVEGCSA-N 2 1 262.361 0.365 20 30 CCEDMP OCC[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H]1CCO ZINC000342127119 263390452 /nfs/dbraw/zinc/39/04/52/263390452.db2.gz LPTSJIAZIJMBLE-HZPDHXFCSA-N 2 1 280.412 0.683 20 30 CCEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000362632909 267027485 /nfs/dbraw/zinc/02/74/85/267027485.db2.gz GYAFATGXAYFRPQ-KBPBESRZSA-N 2 1 280.416 0.878 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262792455 330031801 /nfs/dbraw/zinc/03/18/01/330031801.db2.gz NNGISOGAWLFXNT-OCCSQVGLSA-N 2 1 280.416 0.957 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262792455 330031802 /nfs/dbraw/zinc/03/18/02/330031802.db2.gz NNGISOGAWLFXNT-OCCSQVGLSA-N 2 1 280.416 0.957 20 30 CCEDMP C[NH+]=C(NC1CCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262822937 330034174 /nfs/dbraw/zinc/03/41/74/330034174.db2.gz YWLAREBEEICJEC-ZDUSSCGKSA-N 2 1 280.416 0.768 20 30 CCEDMP C[C@H]1CN(C(=[NH2+])NCC[N@H+]2CCCC2(C)C)CCO1 ZINC000263078942 330042335 /nfs/dbraw/zinc/04/23/35/330042335.db2.gz HNXOBKZSZPZGQY-LBPRGKRZSA-N 2 1 268.405 0.896 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@@H](C)O1 ZINC000263151141 330046091 /nfs/dbraw/zinc/04/60/91/330046091.db2.gz PLYSKHVZDGHSTH-JHJVBQTASA-N 2 1 268.405 0.943 20 30 CCEDMP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424138746 330276786 /nfs/dbraw/zinc/27/67/86/330276786.db2.gz USYBJSQWZWHGPF-KBPBESRZSA-N 2 1 296.415 0.481 20 30 CCEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]2C1 ZINC000424177843 330317697 /nfs/dbraw/zinc/31/76/97/330317697.db2.gz VCLJHNIYNGVZFA-AGIUHOORSA-N 2 1 264.373 0.560 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000491220623 332168779 /nfs/dbraw/zinc/16/87/79/332168779.db2.gz PANRHUYMVAWQEE-QGZVFWFLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(CC[NH+](C)C)C(C)C ZINC000491375659 332200348 /nfs/dbraw/zinc/20/03/48/332200348.db2.gz XDIAGIHFOCETMQ-UHFFFAOYSA-N 2 1 282.432 0.923 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000491659813 332270186 /nfs/dbraw/zinc/27/01/86/332270186.db2.gz IVLIBTMVXWVXRX-AWEZNQCLSA-N 2 1 280.416 0.773 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCCCC1 ZINC000491698013 332292965 /nfs/dbraw/zinc/29/29/65/332292965.db2.gz ABBIQSBGFFHSKK-UHFFFAOYSA-N 2 1 280.416 0.727 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000491707656 332300351 /nfs/dbraw/zinc/30/03/51/332300351.db2.gz LZLUOBTWMGKFLY-UHFFFAOYSA-N 2 1 288.395 0.833 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000491707656 332300353 /nfs/dbraw/zinc/30/03/53/332300353.db2.gz LZLUOBTWMGKFLY-UHFFFAOYSA-N 2 1 288.395 0.833 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000491729921 332312029 /nfs/dbraw/zinc/31/20/29/332312029.db2.gz IWJDANQMXYEZDV-STQMWFEESA-N 2 1 266.389 0.381 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000491780649 332344988 /nfs/dbraw/zinc/34/49/88/332344988.db2.gz FDVVWYRKFPFAAP-UONOGXRCSA-N 2 1 280.416 0.758 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000491782936 332346761 /nfs/dbraw/zinc/34/67/61/332346761.db2.gz ORRWZUKCGVZOLG-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000491794027 332353829 /nfs/dbraw/zinc/35/38/29/332353829.db2.gz OFFMIMWCFZPIMY-UHFFFAOYSA-N 2 1 289.383 0.170 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000491817905 332368444 /nfs/dbraw/zinc/36/84/44/332368444.db2.gz JTQLHITXLZMRCE-QLFBSQMISA-N 2 1 292.427 0.629 20 30 CCEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC000249389930 334333058 /nfs/dbraw/zinc/33/30/58/334333058.db2.gz RSOLMCPRDCKJMS-KBPBESRZSA-N 2 1 296.415 0.353 20 30 CCEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC000249389930 334333059 /nfs/dbraw/zinc/33/30/59/334333059.db2.gz RSOLMCPRDCKJMS-KBPBESRZSA-N 2 1 296.415 0.353 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000793933553 581321302 /nfs/dbraw/zinc/32/13/02/581321302.db2.gz UTDUVJCVKZBTHZ-QWHCGFSZSA-N 2 1 251.374 0.514 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741721218 581760517 /nfs/dbraw/zinc/76/05/17/581760517.db2.gz HIYBOXQEWNTHRV-MJBXVCDLSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741721218 581760519 /nfs/dbraw/zinc/76/05/19/581760519.db2.gz HIYBOXQEWNTHRV-MJBXVCDLSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741721218 581760521 /nfs/dbraw/zinc/76/05/21/581760521.db2.gz HIYBOXQEWNTHRV-MJBXVCDLSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741721218 581760523 /nfs/dbraw/zinc/76/05/23/581760523.db2.gz HIYBOXQEWNTHRV-MJBXVCDLSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000732058270 581800369 /nfs/dbraw/zinc/80/03/69/581800369.db2.gz QVQUBFZWECIGMH-ZNMIVQPWSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000849226808 612947135 /nfs/dbraw/zinc/94/71/35/612947135.db2.gz ZGVXNABPVXNTPS-LBPRGKRZSA-N 2 1 254.378 0.191 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000963830126 612954458 /nfs/dbraw/zinc/95/44/58/612954458.db2.gz JQIAJRCYZIJTFU-KBMGIXFMSA-N 2 1 289.423 0.977 20 30 CCEDMP C#CCOCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872205770 612989438 /nfs/dbraw/zinc/98/94/38/612989438.db2.gz IEHPHIMZKSEMDW-KRWDZBQOSA-N 2 1 288.391 0.863 20 30 CCEDMP C#CCOCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872205770 612989439 /nfs/dbraw/zinc/98/94/39/612989439.db2.gz IEHPHIMZKSEMDW-KRWDZBQOSA-N 2 1 288.391 0.863 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970875500 612996834 /nfs/dbraw/zinc/99/68/34/612996834.db2.gz PLRJISOLVDDHCW-STQMWFEESA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000982150354 613000047 /nfs/dbraw/zinc/00/00/47/613000047.db2.gz CHNFVDNMCKQJJX-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982150354 613000048 /nfs/dbraw/zinc/00/00/48/613000048.db2.gz CHNFVDNMCKQJJX-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982150354 613000049 /nfs/dbraw/zinc/00/00/49/613000049.db2.gz CHNFVDNMCKQJJX-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[NH+]1CCN(C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000851872960 613011780 /nfs/dbraw/zinc/01/17/80/613011780.db2.gz OZEHRVIZMABZOR-OAHLLOKOSA-N 2 1 267.417 0.328 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000959846651 613044313 /nfs/dbraw/zinc/04/43/13/613044313.db2.gz GHXLWDAYRYMUGQ-QXSJWSMHSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000959846651 613044314 /nfs/dbraw/zinc/04/43/14/613044314.db2.gz GHXLWDAYRYMUGQ-QXSJWSMHSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000959846651 613044315 /nfs/dbraw/zinc/04/43/15/613044315.db2.gz GHXLWDAYRYMUGQ-QXSJWSMHSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CCN(C(=O)NC[C@H]1CC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000925439812 613067257 /nfs/dbraw/zinc/06/72/57/613067257.db2.gz VZPPMNUHRDZUKA-CQSZACIVSA-N 2 1 278.400 0.430 20 30 CCEDMP C#CCN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)C1CC[NH+](C)CC1 ZINC000925346539 613068155 /nfs/dbraw/zinc/06/81/55/613068155.db2.gz CZLVQKBLHRLNCO-ZFWWWQNUSA-N 2 1 292.427 0.818 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000836487197 613076330 /nfs/dbraw/zinc/07/63/30/613076330.db2.gz AMDDWHINZFPREN-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000836487197 613076331 /nfs/dbraw/zinc/07/63/31/613076331.db2.gz AMDDWHINZFPREN-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000836487197 613076332 /nfs/dbraw/zinc/07/63/32/613076332.db2.gz AMDDWHINZFPREN-CABCVRRESA-N 2 1 292.427 0.868 20 30 CCEDMP C#C[C@H](CC)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000854078547 613121101 /nfs/dbraw/zinc/12/11/01/613121101.db2.gz MYOOUHSMTWBDCY-UONOGXRCSA-N 2 1 282.432 0.969 20 30 CCEDMP C#C[C@H](CC)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000854078547 613121103 /nfs/dbraw/zinc/12/11/03/613121103.db2.gz MYOOUHSMTWBDCY-UONOGXRCSA-N 2 1 282.432 0.969 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000928444029 613131256 /nfs/dbraw/zinc/13/12/56/613131256.db2.gz IJNYDBSYWDQZEU-GXTWGEPZSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000981666269 613143634 /nfs/dbraw/zinc/14/36/34/613143634.db2.gz NVAAGWKTJSIVPF-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000981666269 613143636 /nfs/dbraw/zinc/14/36/36/613143636.db2.gz NVAAGWKTJSIVPF-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000981666269 613143638 /nfs/dbraw/zinc/14/36/38/613143638.db2.gz NVAAGWKTJSIVPF-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=C)CC[NH+](C)C)C1 ZINC000923555630 613164780 /nfs/dbraw/zinc/16/47/80/613164780.db2.gz TVHRLOLEIFKIGS-CQSZACIVSA-N 2 1 263.385 0.708 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=C)CC[NH+](C)C)C1 ZINC000923555630 613164783 /nfs/dbraw/zinc/16/47/83/613164783.db2.gz TVHRLOLEIFKIGS-CQSZACIVSA-N 2 1 263.385 0.708 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC000923586197 613165512 /nfs/dbraw/zinc/16/55/12/613165512.db2.gz ZOSCXVCLFCYZMH-CYBMUJFWSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC000923586197 613165513 /nfs/dbraw/zinc/16/55/13/613165513.db2.gz ZOSCXVCLFCYZMH-CYBMUJFWSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC000923586197 613165516 /nfs/dbraw/zinc/16/55/16/613165516.db2.gz ZOSCXVCLFCYZMH-CYBMUJFWSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC000923586197 613165519 /nfs/dbraw/zinc/16/55/19/613165519.db2.gz ZOSCXVCLFCYZMH-CYBMUJFWSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000884450283 613168909 /nfs/dbraw/zinc/16/89/09/613168909.db2.gz DFOQNGLPJJRRJV-KFWWJZLASA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000884450283 613168911 /nfs/dbraw/zinc/16/89/11/613168911.db2.gz DFOQNGLPJJRRJV-KFWWJZLASA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000884202764 613187497 /nfs/dbraw/zinc/18/74/97/613187497.db2.gz HQVLHEXDMDXIEF-KGLIPLIRSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000884202764 613187499 /nfs/dbraw/zinc/18/74/99/613187499.db2.gz HQVLHEXDMDXIEF-KGLIPLIRSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000924034205 613188241 /nfs/dbraw/zinc/18/82/41/613188241.db2.gz BJSDSSGJVQRYTG-RDBSUJKOSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000924034205 613188243 /nfs/dbraw/zinc/18/82/43/613188243.db2.gz BJSDSSGJVQRYTG-RDBSUJKOSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000924034205 613188244 /nfs/dbraw/zinc/18/82/44/613188244.db2.gz BJSDSSGJVQRYTG-RDBSUJKOSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000924034205 613188245 /nfs/dbraw/zinc/18/82/45/613188245.db2.gz BJSDSSGJVQRYTG-RDBSUJKOSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968548419 613213346 /nfs/dbraw/zinc/21/33/46/613213346.db2.gz GIGUZVBRFPCXEV-KGLIPLIRSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968548419 613213347 /nfs/dbraw/zinc/21/33/47/613213347.db2.gz GIGUZVBRFPCXEV-KGLIPLIRSA-N 2 1 275.396 0.542 20 30 CCEDMP C[NH+]=C(NCCCN1CCC[N@@H+](C)CC1)NC1CC1 ZINC000848999996 613219438 /nfs/dbraw/zinc/21/94/38/613219438.db2.gz DSRYUYZDWCQNKH-UHFFFAOYSA-N 2 1 267.421 0.341 20 30 CCEDMP C[NH+]=C(NCCC[N@@H+]1CCCN(C)CC1)NC1CC1 ZINC000848999996 613219440 /nfs/dbraw/zinc/21/94/40/613219440.db2.gz DSRYUYZDWCQNKH-UHFFFAOYSA-N 2 1 267.421 0.341 20 30 CCEDMP C[NH+]=C(NCCC[N@H+]1CCCN(C)CC1)NC1CC1 ZINC000848999996 613219442 /nfs/dbraw/zinc/21/94/42/613219442.db2.gz DSRYUYZDWCQNKH-UHFFFAOYSA-N 2 1 267.421 0.341 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977584782 613281767 /nfs/dbraw/zinc/28/17/67/613281767.db2.gz FVCYQWMJATUFIE-CHWSQXEVSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977584782 613281768 /nfs/dbraw/zinc/28/17/68/613281768.db2.gz FVCYQWMJATUFIE-CHWSQXEVSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977584782 613281769 /nfs/dbraw/zinc/28/17/69/613281769.db2.gz FVCYQWMJATUFIE-CHWSQXEVSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000961773709 613313737 /nfs/dbraw/zinc/31/37/37/613313737.db2.gz PVBFPIVDDJFVEX-RMRHIDDWSA-N 2 1 261.369 0.150 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC000961773709 613313739 /nfs/dbraw/zinc/31/37/39/613313739.db2.gz PVBFPIVDDJFVEX-RMRHIDDWSA-N 2 1 261.369 0.150 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC000961773709 613313740 /nfs/dbraw/zinc/31/37/40/613313740.db2.gz PVBFPIVDDJFVEX-RMRHIDDWSA-N 2 1 261.369 0.150 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961662514 613344324 /nfs/dbraw/zinc/34/43/24/613344324.db2.gz JHEKZQOXGSCWJX-FICVDOATSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000969356546 613348475 /nfs/dbraw/zinc/34/84/75/613348475.db2.gz JIDJJLRKTVVNMD-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970759144 613348605 /nfs/dbraw/zinc/34/86/05/613348605.db2.gz IPQPQXIEWXIMGN-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970759144 613348606 /nfs/dbraw/zinc/34/86/06/613348606.db2.gz IPQPQXIEWXIMGN-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000910413473 613363778 /nfs/dbraw/zinc/36/37/78/613363778.db2.gz LCMRWADWGZBHLH-CYBMUJFWSA-N 2 1 297.399 0.058 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000900015137 613365029 /nfs/dbraw/zinc/36/50/29/613365029.db2.gz SYFYILGLJAGKQM-OAHLLOKOSA-N 2 1 297.443 0.967 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000819718947 613366071 /nfs/dbraw/zinc/36/60/71/613366071.db2.gz LANFCTZAHWSHBR-QWHCGFSZSA-N 2 1 251.374 0.657 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000876843850 613389273 /nfs/dbraw/zinc/38/92/73/613389273.db2.gz YDJITDPLFFRXNB-WDEREUQCSA-N 2 1 297.790 0.363 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCC[NH2+]1 ZINC000852864251 613422960 /nfs/dbraw/zinc/42/29/60/613422960.db2.gz PYCSBQJXRSTZAP-OFQRWUPVSA-N 2 1 293.411 0.664 20 30 CCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970903208 613486273 /nfs/dbraw/zinc/48/62/73/613486273.db2.gz GWZWBEJJCRUOKX-DZGCQCFKSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970903208 613486275 /nfs/dbraw/zinc/48/62/75/613486275.db2.gz GWZWBEJJCRUOKX-DZGCQCFKSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962568011 613563013 /nfs/dbraw/zinc/56/30/13/613563013.db2.gz MGWJHDVGLPYGLO-NHAGDIPZSA-N 2 1 263.385 0.705 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971272799 613632246 /nfs/dbraw/zinc/63/22/46/613632246.db2.gz ZSVMJTOFQLLJDA-STQMWFEESA-N 2 1 267.373 0.036 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971272799 613632247 /nfs/dbraw/zinc/63/22/47/613632247.db2.gz ZSVMJTOFQLLJDA-STQMWFEESA-N 2 1 267.373 0.036 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971272799 613632249 /nfs/dbraw/zinc/63/22/49/613632249.db2.gz ZSVMJTOFQLLJDA-STQMWFEESA-N 2 1 267.373 0.036 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971272799 613632251 /nfs/dbraw/zinc/63/22/51/613632251.db2.gz ZSVMJTOFQLLJDA-STQMWFEESA-N 2 1 267.373 0.036 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970910771 613662773 /nfs/dbraw/zinc/66/27/73/613662773.db2.gz PVMBUOBBEOZQRJ-OCCSQVGLSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970910771 613662774 /nfs/dbraw/zinc/66/27/74/613662774.db2.gz PVMBUOBBEOZQRJ-OCCSQVGLSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977614450 613828253 /nfs/dbraw/zinc/82/82/53/613828253.db2.gz LFYDHZAGNABWKG-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977614450 613828255 /nfs/dbraw/zinc/82/82/55/613828255.db2.gz LFYDHZAGNABWKG-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614450 613828256 /nfs/dbraw/zinc/82/82/56/613828256.db2.gz LFYDHZAGNABWKG-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614450 613828257 /nfs/dbraw/zinc/82/82/57/613828257.db2.gz LFYDHZAGNABWKG-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979074085 613834791 /nfs/dbraw/zinc/83/47/91/613834791.db2.gz SIQIJSHPCRHYJR-XQLPTFJDSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979074085 613834793 /nfs/dbraw/zinc/83/47/93/613834793.db2.gz SIQIJSHPCRHYJR-XQLPTFJDSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979074085 613834794 /nfs/dbraw/zinc/83/47/94/613834794.db2.gz SIQIJSHPCRHYJR-XQLPTFJDSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979074085 613834796 /nfs/dbraw/zinc/83/47/96/613834796.db2.gz SIQIJSHPCRHYJR-XQLPTFJDSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968724250 613864816 /nfs/dbraw/zinc/86/48/16/613864816.db2.gz CUZHZSTUIVNGRS-JHJVBQTASA-N 2 1 251.374 0.703 20 30 CCEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000827972092 614352647 /nfs/dbraw/zinc/35/26/47/614352647.db2.gz QUGNHWDCOIXPIM-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C[N@@H+](CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C1CC1 ZINC000876735264 616095434 /nfs/dbraw/zinc/09/54/34/616095434.db2.gz CDKSHWPJTYJOPE-INIZCTEOSA-N 2 1 298.390 0.955 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026099974 625333963 /nfs/dbraw/zinc/33/39/63/625333963.db2.gz PILIRHDZTHEJMC-LJIZCISZSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026099974 625333964 /nfs/dbraw/zinc/33/39/64/625333964.db2.gz PILIRHDZTHEJMC-LJIZCISZSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026099974 625333966 /nfs/dbraw/zinc/33/39/66/625333966.db2.gz PILIRHDZTHEJMC-LJIZCISZSA-N 2 1 287.407 0.683 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000181460595 625373831 /nfs/dbraw/zinc/37/38/31/625373831.db2.gz RSNXSRZFOFILMS-CYBMUJFWSA-N 2 1 268.405 0.752 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001022593519 622563643 /nfs/dbraw/zinc/56/36/43/622563643.db2.gz LXLVRZSAOOGXNJ-ZNMIVQPWSA-N 2 1 295.427 0.909 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001022593519 622563655 /nfs/dbraw/zinc/56/36/55/622563655.db2.gz LXLVRZSAOOGXNJ-ZNMIVQPWSA-N 2 1 295.427 0.909 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001022973796 622873849 /nfs/dbraw/zinc/87/38/49/622873849.db2.gz YLPALVOVASWAST-UPJWGTAASA-N 2 1 251.374 0.751 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001023123586 622917057 /nfs/dbraw/zinc/91/70/57/622917057.db2.gz YGECCJVWRIKOIN-KPWCQOOUSA-N 2 1 263.385 0.729 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001027576659 630768675 /nfs/dbraw/zinc/76/86/75/630768675.db2.gz TWJFNLNOWBLYAR-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001027576659 630768681 /nfs/dbraw/zinc/76/86/81/630768681.db2.gz TWJFNLNOWBLYAR-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001027576659 630768684 /nfs/dbraw/zinc/76/86/84/630768684.db2.gz TWJFNLNOWBLYAR-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007350489 650075090 /nfs/dbraw/zinc/07/50/90/650075090.db2.gz QPXAVUXZLZWUCJ-HZPDHXFCSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000987534990 632878608 /nfs/dbraw/zinc/87/86/08/632878608.db2.gz XAZUIHDJGXQPBE-WCQYABFASA-N 2 1 262.357 0.957 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC000989802308 633354172 /nfs/dbraw/zinc/35/41/72/633354172.db2.gz GHRLHRVBKDKCSL-WCQYABFASA-N 2 1 260.341 0.404 20 30 CCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC000990027687 633408246 /nfs/dbraw/zinc/40/82/46/633408246.db2.gz VYAMGFDBZNIPBQ-SQWLQELKSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC000990027687 633408249 /nfs/dbraw/zinc/40/82/49/633408249.db2.gz VYAMGFDBZNIPBQ-SQWLQELKSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000990027687 633408258 /nfs/dbraw/zinc/40/82/58/633408258.db2.gz VYAMGFDBZNIPBQ-SQWLQELKSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000990027687 633408261 /nfs/dbraw/zinc/40/82/61/633408261.db2.gz VYAMGFDBZNIPBQ-SQWLQELKSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001009597830 650150985 /nfs/dbraw/zinc/15/09/85/650150985.db2.gz YCEMOBYRYJWHMD-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001009597830 650150987 /nfs/dbraw/zinc/15/09/87/650150987.db2.gz YCEMOBYRYJWHMD-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009597830 650150988 /nfs/dbraw/zinc/15/09/88/650150988.db2.gz YCEMOBYRYJWHMD-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009597830 650150991 /nfs/dbraw/zinc/15/09/91/650150991.db2.gz YCEMOBYRYJWHMD-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010369897 650207262 /nfs/dbraw/zinc/20/72/62/650207262.db2.gz PPVAWGNGXDORQO-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010369897 650207266 /nfs/dbraw/zinc/20/72/66/650207266.db2.gz PPVAWGNGXDORQO-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010369897 650207268 /nfs/dbraw/zinc/20/72/68/650207268.db2.gz PPVAWGNGXDORQO-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC000996413537 638817991 /nfs/dbraw/zinc/81/79/91/638817991.db2.gz CYSISCUQZOLTMT-AWEZNQCLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000998994061 638953079 /nfs/dbraw/zinc/95/30/79/638953079.db2.gz KGFYWDDITZCISY-RUXDESIVSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999389697 638979529 /nfs/dbraw/zinc/97/95/29/638979529.db2.gz AJWQKHSWKXSMFA-KGLIPLIRSA-N 2 1 281.375 0.634 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999389697 638979532 /nfs/dbraw/zinc/97/95/32/638979532.db2.gz AJWQKHSWKXSMFA-KGLIPLIRSA-N 2 1 281.375 0.634 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000999832837 639007054 /nfs/dbraw/zinc/00/70/54/639007054.db2.gz JFAMUHQZEZMXOS-UHFFFAOYSA-N 2 1 260.341 0.404 20 30 CCEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002533683 639425199 /nfs/dbraw/zinc/42/51/99/639425199.db2.gz MHGDPTAWUHCXOX-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002533683 639425204 /nfs/dbraw/zinc/42/52/04/639425204.db2.gz MHGDPTAWUHCXOX-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001004178408 639713133 /nfs/dbraw/zinc/71/31/33/639713133.db2.gz GZTDPAFCHLIJNZ-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004178408 639713139 /nfs/dbraw/zinc/71/31/39/639713139.db2.gz GZTDPAFCHLIJNZ-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015088459 650527698 /nfs/dbraw/zinc/52/76/98/650527698.db2.gz BSLHVTDEMUTQFR-AWEZNQCLSA-N 2 1 275.396 0.829 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015088459 650527700 /nfs/dbraw/zinc/52/77/00/650527700.db2.gz BSLHVTDEMUTQFR-AWEZNQCLSA-N 2 1 275.396 0.829 20 30 CCEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000923410543 640127280 /nfs/dbraw/zinc/12/72/80/640127280.db2.gz HNYMKBIIHJNNCE-YUELXQCFSA-N 2 1 289.379 0.825 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015614714 650592526 /nfs/dbraw/zinc/59/25/26/650592526.db2.gz DNLYGBHDXUBSLY-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015614714 650592527 /nfs/dbraw/zinc/59/25/27/650592527.db2.gz DNLYGBHDXUBSLY-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001015614714 650592529 /nfs/dbraw/zinc/59/25/29/650592529.db2.gz DNLYGBHDXUBSLY-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649134 650601301 /nfs/dbraw/zinc/60/13/01/650601301.db2.gz PHXMMAMQFCXJBX-ZDUSSCGKSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C)C2)CC1 ZINC001016336234 650719610 /nfs/dbraw/zinc/71/96/10/650719610.db2.gz JTBAZFMALCSJFP-OAHLLOKOSA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001016975877 650775100 /nfs/dbraw/zinc/77/51/00/650775100.db2.gz SUEZRCGDTCKPTC-CQSZACIVSA-N 2 1 286.379 0.795 20 30 CCEDMP C[C@@H]1C[NH+]=C(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)N1 ZINC000848983550 643691251 /nfs/dbraw/zinc/69/12/51/643691251.db2.gz KGWURWSFMDZHRR-UTUOFQBUSA-N 2 1 254.378 0.423 20 30 CCEDMP C=CC[C@H](CO)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000849016188 643700817 /nfs/dbraw/zinc/70/08/17/643700817.db2.gz RNAMFSRBDCWLGO-STQMWFEESA-N 2 1 268.405 0.769 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001019512919 650982205 /nfs/dbraw/zinc/98/22/05/650982205.db2.gz JASBCGJOBDXNJG-AWEZNQCLSA-N 2 1 281.400 0.475 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001020149845 651044610 /nfs/dbraw/zinc/04/46/10/651044610.db2.gz FDTBHMGSMHAJCE-ZQDZILKHSA-N 2 1 275.396 0.731 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020178645 651046177 /nfs/dbraw/zinc/04/61/77/651046177.db2.gz AMVCMXUCLYYNIJ-AAVRWANBSA-N 2 1 279.384 0.272 20 30 CCEDMP C[C@H]1CNC(NN=C2CCC[N@@H+]3CCSC[C@@H]23)=[NH+]1 ZINC000872364006 646252423 /nfs/dbraw/zinc/25/24/23/646252423.db2.gz ADEWGMNFLFLASM-ONGXEEELSA-N 2 1 267.402 0.491 20 30 CCEDMP C[C@H]1CNC(NN=C2CCC[N@H+]3CCSC[C@@H]23)=[NH+]1 ZINC000872364006 646252429 /nfs/dbraw/zinc/25/24/29/646252429.db2.gz ADEWGMNFLFLASM-ONGXEEELSA-N 2 1 267.402 0.491 20 30 CCEDMP CC(C)CCNC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000187855833 649336685 /nfs/dbraw/zinc/33/66/85/649336685.db2.gz OBHARNRQLMFUBT-UHFFFAOYSA-N 2 1 256.394 0.659 20 30 CCEDMP CC(C)CCNC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000187855833 649336688 /nfs/dbraw/zinc/33/66/88/649336688.db2.gz OBHARNRQLMFUBT-UHFFFAOYSA-N 2 1 256.394 0.659 20 30 CCEDMP C[NH+]=C(NCc1ccco1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000303398367 649818434 /nfs/dbraw/zinc/81/84/34/649818434.db2.gz JIKRKVDPLAIWJX-TZMCWYRMSA-N 2 1 292.383 0.808 20 30 CCEDMP CCCCNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000303866600 649826000 /nfs/dbraw/zinc/82/60/00/649826000.db2.gz CNNNXUGCUFWJTE-CQSZACIVSA-N 2 1 283.464 0.964 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCC(=O)OC ZINC000303886425 649826317 /nfs/dbraw/zinc/82/63/17/649826317.db2.gz NTAPRXHJIIESAV-GFCCVEGCSA-N 2 1 284.404 0.718 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000303897710 649826572 /nfs/dbraw/zinc/82/65/72/649826572.db2.gz QUTDZGFQXJWHHN-VXGBXAGGSA-N 2 1 256.394 0.658 20 30 CCEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303990929 649827931 /nfs/dbraw/zinc/82/79/31/649827931.db2.gz ZBQAOYSKMBIRMM-CQSZACIVSA-N 2 1 299.463 0.343 20 30 CCEDMP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303990929 649827933 /nfs/dbraw/zinc/82/79/33/649827933.db2.gz ZBQAOYSKMBIRMM-CQSZACIVSA-N 3 1 299.463 0.343 20 30 CCEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303990929 649827935 /nfs/dbraw/zinc/82/79/35/649827935.db2.gz ZBQAOYSKMBIRMM-CQSZACIVSA-N 3 1 299.463 0.343 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000304738618 649837715 /nfs/dbraw/zinc/83/77/15/649837715.db2.gz AUZOMYQTXITCAZ-NSHDSACASA-N 2 1 256.394 0.800 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCC1CC1 ZINC000304760885 649838763 /nfs/dbraw/zinc/83/87/63/649838763.db2.gz TUVRLICXKWXEJI-CYBMUJFWSA-N 2 1 268.405 0.802 20 30 CCEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000305001096 649840632 /nfs/dbraw/zinc/84/06/32/649840632.db2.gz HGAAUXNTFCXVCU-ZDUSSCGKSA-N 2 1 268.405 0.611 20 30 CCEDMP C=CC[NH+]1CCN(c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001165033804 721864870 /nfs/dbraw/zinc/86/48/70/721864870.db2.gz YFVUWEJFCWRZMH-UHFFFAOYSA-N 2 1 288.399 0.194 20 30 CCEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262966 805589324 /nfs/dbraw/zinc/58/93/24/805589324.db2.gz ZLRVRBHZPRLGJO-AWEZNQCLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266413842 790658458 /nfs/dbraw/zinc/65/84/58/790658458.db2.gz UISKFJDSSTUKBB-UHFFFAOYSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001167232858 790724589 /nfs/dbraw/zinc/72/45/89/790724589.db2.gz SEONFTRZNOWBDY-AWEZNQCLSA-N 2 1 277.412 0.838 20 30 CCEDMP C=CCOCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266453384 790744428 /nfs/dbraw/zinc/74/44/28/790744428.db2.gz DUNHQGVACLXLFQ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001266453384 790744443 /nfs/dbraw/zinc/74/44/43/790744443.db2.gz DUNHQGVACLXLFQ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001266453384 790744452 /nfs/dbraw/zinc/74/44/52/790744452.db2.gz DUNHQGVACLXLFQ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@@H+](C)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001267220661 791694049 /nfs/dbraw/zinc/69/40/49/791694049.db2.gz AVUQFBVHVAPCEW-UHFFFAOYSA-N 2 1 291.399 0.130 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038141418 791703801 /nfs/dbraw/zinc/70/38/01/791703801.db2.gz KZNRQNVWLTYIHW-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038141418 791703805 /nfs/dbraw/zinc/70/38/05/791703805.db2.gz KZNRQNVWLTYIHW-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038141418 791703813 /nfs/dbraw/zinc/70/38/13/791703813.db2.gz KZNRQNVWLTYIHW-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038141418 791703819 /nfs/dbraw/zinc/70/38/19/791703819.db2.gz KZNRQNVWLTYIHW-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC001121974564 799111576 /nfs/dbraw/zinc/11/15/76/799111576.db2.gz KRANTLSCFDYGEH-CYBMUJFWSA-N 2 1 269.389 0.509 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001150589512 800350155 /nfs/dbraw/zinc/35/01/55/800350155.db2.gz USRXBLWRJOYGNZ-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150589512 800350161 /nfs/dbraw/zinc/35/01/61/800350161.db2.gz USRXBLWRJOYGNZ-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150589512 800350167 /nfs/dbraw/zinc/35/01/67/800350167.db2.gz USRXBLWRJOYGNZ-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150589512 800350174 /nfs/dbraw/zinc/35/01/74/800350174.db2.gz USRXBLWRJOYGNZ-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999763 800887998 /nfs/dbraw/zinc/88/79/98/800887998.db2.gz MWKVQLSTUCKHFX-CQSZACIVSA-N 2 1 283.416 0.415 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255226 800941397 /nfs/dbraw/zinc/94/13/97/800941397.db2.gz NXXFXFUHSDGVFS-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155255226 800941399 /nfs/dbraw/zinc/94/13/99/800941399.db2.gz NXXFXFUHSDGVFS-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155255226 800941400 /nfs/dbraw/zinc/94/14/00/800941400.db2.gz NXXFXFUHSDGVFS-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158037440 801558604 /nfs/dbraw/zinc/55/86/04/801558604.db2.gz IVQUFBGJSMLPMC-GJZGRUSLSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158037443 801558778 /nfs/dbraw/zinc/55/87/78/801558778.db2.gz IVQUFBGJSMLPMC-LSDHHAIUSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158037438 801558806 /nfs/dbraw/zinc/55/88/06/801558806.db2.gz IVQUFBGJSMLPMC-CABCVRRESA-N 2 1 277.412 0.980 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159878402 801885273 /nfs/dbraw/zinc/88/52/73/801885273.db2.gz WXDSJKSTZIHLFW-ZDUSSCGKSA-N 2 1 279.388 0.095 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C/C=C/Cl ZINC001160209506 801920234 /nfs/dbraw/zinc/92/02/34/801920234.db2.gz NKKCAQVTNFGYJN-LVDDQXARSA-N 2 1 283.803 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C/C=C/Cl ZINC001160209506 801920240 /nfs/dbraw/zinc/92/02/40/801920240.db2.gz NKKCAQVTNFGYJN-LVDDQXARSA-N 2 1 283.803 0.932 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160461143 801944810 /nfs/dbraw/zinc/94/48/10/801944810.db2.gz KKDQCRHBJBBFDS-ZFWWWQNUSA-N 2 1 263.385 0.814 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161552767 802178115 /nfs/dbraw/zinc/17/81/15/802178115.db2.gz VLCJSDSAGDQXIH-UHFFFAOYSA-N 2 1 278.356 0.469 20 30 CCEDMP C[Si](C)(C)C#C[NH2+]Cc1nnn2c1C[NH2+]CCC2 ZINC001162972530 802445042 /nfs/dbraw/zinc/44/50/42/802445042.db2.gz XHQWKDCQVMZXDY-UHFFFAOYSA-N 2 1 263.421 0.699 20 30 CCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001163822099 802618563 /nfs/dbraw/zinc/61/85/63/802618563.db2.gz SCENBNBAIDITPV-AWEZNQCLSA-N 2 1 277.412 0.980 20 30 CCEDMP CN(CCC#N)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206531016 803261020 /nfs/dbraw/zinc/26/10/20/803261020.db2.gz ZRNUVPNUYBWXDW-HOCLYGCPSA-N 2 1 288.395 0.788 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207683770 803436758 /nfs/dbraw/zinc/43/67/58/803436758.db2.gz HMVNIZFYCYMJDZ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208690893 803536153 /nfs/dbraw/zinc/53/61/53/803536153.db2.gz ALNBZQKIEIICKM-UPJWGTAASA-N 2 1 251.374 0.396 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210782343 803659438 /nfs/dbraw/zinc/65/94/38/803659438.db2.gz LWWWAXHSHWOFDU-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213594723 803697308 /nfs/dbraw/zinc/69/73/08/803697308.db2.gz ONCCIUXFELGUKB-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213594723 803697310 /nfs/dbraw/zinc/69/73/10/803697310.db2.gz ONCCIUXFELGUKB-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213678213 803700444 /nfs/dbraw/zinc/70/04/44/803700444.db2.gz KDZZGPGZIZSITO-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213678213 803700446 /nfs/dbraw/zinc/70/04/46/803700446.db2.gz KDZZGPGZIZSITO-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213678213 803700450 /nfs/dbraw/zinc/70/04/50/803700450.db2.gz KDZZGPGZIZSITO-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])N[C@H](C)COC)C1 ZINC000303883306 803759501 /nfs/dbraw/zinc/75/95/01/803759501.db2.gz MBEUGKQRECDHDI-NEPJUHHUSA-N 2 1 256.394 0.658 20 30 CCEDMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1nc[nH]c1C#N ZINC001218595566 804028543 /nfs/dbraw/zinc/02/85/43/804028543.db2.gz OZVBBPMKBUYAQF-JTQLQIEISA-N 2 1 278.360 0.715 20 30 CCEDMP C#C[C@@H](C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220460159 804608744 /nfs/dbraw/zinc/60/87/44/804608744.db2.gz CAYZZPWLGMYDNY-GDBMZVCRSA-N 2 1 297.402 0.846 20 30 CCEDMP C#C[C@@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220460159 804608749 /nfs/dbraw/zinc/60/87/49/804608749.db2.gz CAYZZPWLGMYDNY-GDBMZVCRSA-N 2 1 297.402 0.846 20 30 CCEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220828866 804676753 /nfs/dbraw/zinc/67/67/53/804676753.db2.gz GGEWAPXENLMVPS-KFWWJZLASA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220828866 804676755 /nfs/dbraw/zinc/67/67/55/804676755.db2.gz GGEWAPXENLMVPS-KFWWJZLASA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220828866 804676758 /nfs/dbraw/zinc/67/67/58/804676758.db2.gz GGEWAPXENLMVPS-KFWWJZLASA-N 2 1 297.443 0.844 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001221968454 804857455 /nfs/dbraw/zinc/85/74/55/804857455.db2.gz OYKMHYHBEIPLNJ-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001221968454 804857463 /nfs/dbraw/zinc/85/74/63/804857463.db2.gz OYKMHYHBEIPLNJ-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001221968454 804857469 /nfs/dbraw/zinc/85/74/69/804857469.db2.gz OYKMHYHBEIPLNJ-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001221968454 804857477 /nfs/dbraw/zinc/85/74/77/804857477.db2.gz OYKMHYHBEIPLNJ-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100980654 815042197 /nfs/dbraw/zinc/04/21/97/815042197.db2.gz ABSVPZDTSYXVHL-ROKHWSDSSA-N 2 1 263.385 0.446 20 30 CCEDMP C[NH+](C)CCCCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001224991022 805097943 /nfs/dbraw/zinc/09/79/43/805097943.db2.gz LOUMNNLXMNNPLC-KLLCGCCRSA-N 2 1 254.374 0.957 20 30 CCEDMP C[NH+](C)CCCCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001224991022 805097951 /nfs/dbraw/zinc/09/79/51/805097951.db2.gz LOUMNNLXMNNPLC-KLLCGCCRSA-N 2 1 254.374 0.957 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001278415870 807096986 /nfs/dbraw/zinc/09/69/86/807096986.db2.gz JVZJETNGGPNMSQ-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246021639 807120723 /nfs/dbraw/zinc/12/07/23/807120723.db2.gz LCAYFVNSDDFGQY-MELADBBJSA-N 2 1 256.390 0.857 20 30 CCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001278437567 807195662 /nfs/dbraw/zinc/19/56/62/807195662.db2.gz FTLIIYKOKMDAEO-HOCLYGCPSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001278437567 807195666 /nfs/dbraw/zinc/19/56/66/807195666.db2.gz FTLIIYKOKMDAEO-HOCLYGCPSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278437567 807195668 /nfs/dbraw/zinc/19/56/68/807195668.db2.gz FTLIIYKOKMDAEO-HOCLYGCPSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465826 815100605 /nfs/dbraw/zinc/10/06/05/815100605.db2.gz URYMCVJZNZWUSI-KFWWJZLASA-N 2 1 293.411 0.066 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001252471206 807881618 /nfs/dbraw/zinc/88/16/18/807881618.db2.gz VDASIHQQCNRVIN-AWEZNQCLSA-N 2 1 268.401 0.968 20 30 CCEDMP C#CCC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001278689654 807993962 /nfs/dbraw/zinc/99/39/62/807993962.db2.gz GBZZZSXPSMUPRG-KBPBESRZSA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001278728983 808078587 /nfs/dbraw/zinc/07/85/87/808078587.db2.gz YWWPZFDPEMXXKA-CQSZACIVSA-N 2 1 295.427 0.769 20 30 CCEDMP CC[C@H](C)[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)C(=O)NO ZINC001254515314 808251919 /nfs/dbraw/zinc/25/19/19/808251919.db2.gz VSARBMOTYKVIME-SRVKXCTJSA-N 2 1 257.378 0.980 20 30 CCEDMP CC[C@H](C)[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)C(=O)NO ZINC001254515314 808251923 /nfs/dbraw/zinc/25/19/23/808251923.db2.gz VSARBMOTYKVIME-SRVKXCTJSA-N 2 1 257.378 0.980 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278804557 808275896 /nfs/dbraw/zinc/27/58/96/808275896.db2.gz CKFAUSUBVSQPBW-GXTWGEPZSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001265068429 809702954 /nfs/dbraw/zinc/70/29/54/809702954.db2.gz JYYUMQRRFMBCRV-HNNXBMFYSA-N 2 1 297.443 0.969 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076571267 815312278 /nfs/dbraw/zinc/31/22/78/815312278.db2.gz BSCILBUULZAPJC-LSDHHAIUSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265624695 809816004 /nfs/dbraw/zinc/81/60/04/809816004.db2.gz XOEUCRKMJGPFON-GJZGRUSLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001265846468 809874067 /nfs/dbraw/zinc/87/40/67/809874067.db2.gz OHYWPWIWBOTOPW-ZDUSSCGKSA-N 2 1 297.362 0.999 20 30 CCEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266005144 809916673 /nfs/dbraw/zinc/91/66/73/809916673.db2.gz RZUJDLIMRJJORY-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001266191710 809959116 /nfs/dbraw/zinc/95/91/16/809959116.db2.gz IBFBYTPKIDHALY-ZDUSSCGKSA-N 2 1 253.390 0.834 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001267304783 811126327 /nfs/dbraw/zinc/12/63/27/811126327.db2.gz MAUWKHAYIZRDOB-OAHLLOKOSA-N 2 1 293.411 0.170 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001267304783 811126324 /nfs/dbraw/zinc/12/63/24/811126324.db2.gz MAUWKHAYIZRDOB-OAHLLOKOSA-N 2 1 293.411 0.170 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275380 811434204 /nfs/dbraw/zinc/43/42/04/811434204.db2.gz ZVKGSTRLSXQXQO-LSDHHAIUSA-N 2 1 293.411 0.570 20 30 CCEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001279746257 811633047 /nfs/dbraw/zinc/63/30/47/811633047.db2.gz KBSZWGFLIMDLMX-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267683106 811648345 /nfs/dbraw/zinc/64/83/45/811648345.db2.gz JNRNUECXXROVJE-AWEZNQCLSA-N 2 1 265.401 0.742 20 30 CCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027893972 812126221 /nfs/dbraw/zinc/12/62/21/812126221.db2.gz HRBHAUQBKQZOEL-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027893972 812126226 /nfs/dbraw/zinc/12/62/26/812126226.db2.gz HRBHAUQBKQZOEL-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027893972 812126230 /nfs/dbraw/zinc/12/62/30/812126230.db2.gz HRBHAUQBKQZOEL-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001268113884 812272799 /nfs/dbraw/zinc/27/27/99/812272799.db2.gz CMXJCGKQONQPOA-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001268113884 812272803 /nfs/dbraw/zinc/27/28/03/812272803.db2.gz CMXJCGKQONQPOA-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028320337 812612796 /nfs/dbraw/zinc/61/27/96/812612796.db2.gz QEUZSEIRUSANCY-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028320337 812612798 /nfs/dbraw/zinc/61/27/98/812612798.db2.gz QEUZSEIRUSANCY-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028320337 812612801 /nfs/dbraw/zinc/61/28/01/812612801.db2.gz QEUZSEIRUSANCY-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268476323 812634379 /nfs/dbraw/zinc/63/43/79/812634379.db2.gz WESGXVFXLDGJTR-AWEZNQCLSA-N 2 1 288.395 0.825 20 30 CCEDMP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001268693665 813012171 /nfs/dbraw/zinc/01/21/71/813012171.db2.gz BEJKPIHASCHZKX-UONOGXRCSA-N 2 1 265.401 0.834 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268731333 813046544 /nfs/dbraw/zinc/04/65/44/813046544.db2.gz MWTNNXKPOAOCOX-RBSFLKMASA-N 2 1 295.427 0.413 20 30 CCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268731333 813046551 /nfs/dbraw/zinc/04/65/51/813046551.db2.gz MWTNNXKPOAOCOX-RBSFLKMASA-N 2 1 295.427 0.413 20 30 CCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268731333 813046553 /nfs/dbraw/zinc/04/65/53/813046553.db2.gz MWTNNXKPOAOCOX-RBSFLKMASA-N 2 1 295.427 0.413 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001268878939 813130438 /nfs/dbraw/zinc/13/04/38/813130438.db2.gz HZIOLTGWNRQEMK-CQSZACIVSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001269148483 813240812 /nfs/dbraw/zinc/24/08/12/813240812.db2.gz DHCBZGNFODYYEK-KBPBESRZSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001269148483 813240817 /nfs/dbraw/zinc/24/08/17/813240817.db2.gz DHCBZGNFODYYEK-KBPBESRZSA-N 2 1 281.400 0.378 20 30 CCEDMP COCC#CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001269489335 813390112 /nfs/dbraw/zinc/39/01/12/813390112.db2.gz MYVFFCGMTONHHR-CQSZACIVSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001028762965 813457745 /nfs/dbraw/zinc/45/77/45/813457745.db2.gz XHKAYUPNFLPMFB-KKUMJFAQSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001028762965 813457749 /nfs/dbraw/zinc/45/77/49/813457749.db2.gz XHKAYUPNFLPMFB-KKUMJFAQSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001028762965 813457754 /nfs/dbraw/zinc/45/77/54/813457754.db2.gz XHKAYUPNFLPMFB-KKUMJFAQSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH+]1CCC(C)(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001270256154 813698820 /nfs/dbraw/zinc/69/88/20/813698820.db2.gz VMYLTBSLZIZITF-UHFFFAOYSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028996163 813735763 /nfs/dbraw/zinc/73/57/63/813735763.db2.gz BGZXZWCSNSGZDQ-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028996163 813735770 /nfs/dbraw/zinc/73/57/70/813735770.db2.gz BGZXZWCSNSGZDQ-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028996163 813735774 /nfs/dbraw/zinc/73/57/74/813735774.db2.gz BGZXZWCSNSGZDQ-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028996163 813735776 /nfs/dbraw/zinc/73/57/76/813735776.db2.gz BGZXZWCSNSGZDQ-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001271144526 814207148 /nfs/dbraw/zinc/20/71/48/814207148.db2.gz CKJZGONXTDXPPS-ZBFHGGJFSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001271144526 814207156 /nfs/dbraw/zinc/20/71/56/814207156.db2.gz CKJZGONXTDXPPS-ZBFHGGJFSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001271144526 814207162 /nfs/dbraw/zinc/20/71/62/814207162.db2.gz CKJZGONXTDXPPS-ZBFHGGJFSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087828136 814226952 /nfs/dbraw/zinc/22/69/52/814226952.db2.gz BGJYIFOQSBLIJS-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087828136 814226957 /nfs/dbraw/zinc/22/69/57/814226957.db2.gz BGJYIFOQSBLIJS-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087828136 814226967 /nfs/dbraw/zinc/22/69/67/814226967.db2.gz BGJYIFOQSBLIJS-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001271816138 814592623 /nfs/dbraw/zinc/59/26/23/814592623.db2.gz WFQLCMYETDHUIH-KBPBESRZSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001271860148 814613752 /nfs/dbraw/zinc/61/37/52/814613752.db2.gz GKBLWSPWPBPRAW-UONOGXRCSA-N 2 1 265.401 0.834 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001030336989 815981534 /nfs/dbraw/zinc/98/15/34/815981534.db2.gz YIOFJVZTGSDKFG-DGCLKSJQSA-N 2 1 251.374 0.703 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001030336989 815981537 /nfs/dbraw/zinc/98/15/37/815981537.db2.gz YIOFJVZTGSDKFG-DGCLKSJQSA-N 2 1 251.374 0.703 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001089052865 816226674 /nfs/dbraw/zinc/22/66/74/816226674.db2.gz AXGHLCSHRQXRRI-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001089052865 816226679 /nfs/dbraw/zinc/22/66/79/816226679.db2.gz AXGHLCSHRQXRRI-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089052865 816226681 /nfs/dbraw/zinc/22/66/81/816226681.db2.gz AXGHLCSHRQXRRI-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089052865 816226686 /nfs/dbraw/zinc/22/66/86/816226686.db2.gz AXGHLCSHRQXRRI-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001121938911 816489741 /nfs/dbraw/zinc/48/97/41/816489741.db2.gz YRVFJAXAGKMBQP-CHWSQXEVSA-N 2 1 291.399 0.577 20 30 CCEDMP N#Cc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cn1 ZINC001234985711 816789397 /nfs/dbraw/zinc/78/93/97/816789397.db2.gz FAFJPJAIPICOSF-CQSZACIVSA-N 2 1 257.341 0.091 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031689054 817245832 /nfs/dbraw/zinc/24/58/32/817245832.db2.gz QQJONMAHOOXASF-LSDHHAIUSA-N 2 1 293.411 0.474 20 30 CCEDMP C=CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031978437 817516671 /nfs/dbraw/zinc/51/66/71/817516671.db2.gz SSNKPNGEJVRMKV-WCQYABFASA-N 2 1 251.374 0.418 20 30 CCEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001124872725 817607965 /nfs/dbraw/zinc/60/79/65/817607965.db2.gz MCDXNFCHQOYUEP-ZDUSSCGKSA-N 2 1 292.408 0.920 20 30 CCEDMP C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077678984 817984803 /nfs/dbraw/zinc/98/48/03/817984803.db2.gz DJDCONJUZWXVBE-MGPQQGTHSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077678984 817984808 /nfs/dbraw/zinc/98/48/08/817984808.db2.gz DJDCONJUZWXVBE-MGPQQGTHSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077678984 817984815 /nfs/dbraw/zinc/98/48/15/817984815.db2.gz DJDCONJUZWXVBE-MGPQQGTHSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077678984 817984830 /nfs/dbraw/zinc/98/48/30/817984830.db2.gz DJDCONJUZWXVBE-MGPQQGTHSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCN1C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030166 818488572 /nfs/dbraw/zinc/48/85/72/818488572.db2.gz LVQZOJWQBWUAPK-INIZCTEOSA-N 2 1 293.411 0.475 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033090528 818510894 /nfs/dbraw/zinc/51/08/94/818510894.db2.gz BYRAUKXCPZYLQS-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033090528 818510904 /nfs/dbraw/zinc/51/09/04/818510904.db2.gz BYRAUKXCPZYLQS-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033090528 818510911 /nfs/dbraw/zinc/51/09/11/818510911.db2.gz BYRAUKXCPZYLQS-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2C)C1 ZINC001033669283 818877356 /nfs/dbraw/zinc/87/73/56/818877356.db2.gz QDYCQYSGKXEFDA-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001033681122 818883650 /nfs/dbraw/zinc/88/36/50/818883650.db2.gz RUQSTHRNIJSEHD-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001033681122 818883656 /nfs/dbraw/zinc/88/36/56/818883656.db2.gz RUQSTHRNIJSEHD-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001033681122 818883662 /nfs/dbraw/zinc/88/36/62/818883662.db2.gz RUQSTHRNIJSEHD-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033681122 818883673 /nfs/dbraw/zinc/88/36/73/818883673.db2.gz RUQSTHRNIJSEHD-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001033788861 818934701 /nfs/dbraw/zinc/93/47/01/818934701.db2.gz KPENPZMAYOWZRV-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001034048258 819043568 /nfs/dbraw/zinc/04/35/68/819043568.db2.gz NRBMTHCJRKZLQX-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048258 819043572 /nfs/dbraw/zinc/04/35/72/819043572.db2.gz NRBMTHCJRKZLQX-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048258 819043577 /nfs/dbraw/zinc/04/35/77/819043577.db2.gz NRBMTHCJRKZLQX-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048258 819043588 /nfs/dbraw/zinc/04/35/88/819043588.db2.gz NRBMTHCJRKZLQX-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034663575 819272569 /nfs/dbraw/zinc/27/25/69/819272569.db2.gz DTORHUVNJOPKAA-KKUMJFAQSA-N 2 1 293.411 0.093 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034663575 819272580 /nfs/dbraw/zinc/27/25/80/819272580.db2.gz DTORHUVNJOPKAA-KKUMJFAQSA-N 2 1 293.411 0.093 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001034793634 819331672 /nfs/dbraw/zinc/33/16/72/819331672.db2.gz LNYJHLFDZJFEQB-HDJSIYSDSA-N 2 1 274.368 0.842 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](C(C)C)CCO1 ZINC001035403094 819508512 /nfs/dbraw/zinc/50/85/12/819508512.db2.gz UTCAZZHNDRRFME-GJZGRUSLSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001035403094 819508519 /nfs/dbraw/zinc/50/85/19/819508519.db2.gz UTCAZZHNDRRFME-GJZGRUSLSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cncc2C)C1 ZINC001080137888 820519698 /nfs/dbraw/zinc/51/96/98/820519698.db2.gz TXNIMNWAFOLMFJ-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001080137888 820519707 /nfs/dbraw/zinc/51/97/07/820519707.db2.gz TXNIMNWAFOLMFJ-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001080137888 820519717 /nfs/dbraw/zinc/51/97/17/820519717.db2.gz TXNIMNWAFOLMFJ-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080787722 820639436 /nfs/dbraw/zinc/63/94/36/820639436.db2.gz PICAXAGSDLELQM-ZIAGYGMSSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001080998341 820668642 /nfs/dbraw/zinc/66/86/42/820668642.db2.gz YWRASMIXZAIUKV-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001080998341 820668647 /nfs/dbraw/zinc/66/86/47/820668647.db2.gz YWRASMIXZAIUKV-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001080998341 820668654 /nfs/dbraw/zinc/66/86/54/820668654.db2.gz YWRASMIXZAIUKV-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001080998341 820668659 /nfs/dbraw/zinc/66/86/59/820668659.db2.gz YWRASMIXZAIUKV-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081445934 820774909 /nfs/dbraw/zinc/77/49/09/820774909.db2.gz HJKYZWIWMMJXOV-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081445934 820774917 /nfs/dbraw/zinc/77/49/17/820774917.db2.gz HJKYZWIWMMJXOV-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081445934 820774920 /nfs/dbraw/zinc/77/49/20/820774920.db2.gz HJKYZWIWMMJXOV-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081445934 820774926 /nfs/dbraw/zinc/77/49/26/820774926.db2.gz HJKYZWIWMMJXOV-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368560 820946917 /nfs/dbraw/zinc/94/69/17/820946917.db2.gz GYJHOIUACHVCLF-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082368560 820946922 /nfs/dbraw/zinc/94/69/22/820946922.db2.gz GYJHOIUACHVCLF-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082368560 820946926 /nfs/dbraw/zinc/94/69/26/820946926.db2.gz GYJHOIUACHVCLF-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702805 821020507 /nfs/dbraw/zinc/02/05/07/821020507.db2.gz JGZGUCHRSDFPOI-KFWWJZLASA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702805 821020516 /nfs/dbraw/zinc/02/05/16/821020516.db2.gz JGZGUCHRSDFPOI-KFWWJZLASA-N 2 1 295.427 0.718 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702441 821356139 /nfs/dbraw/zinc/35/61/39/821356139.db2.gz ZBUVERXPCWOVGE-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702441 821356148 /nfs/dbraw/zinc/35/61/48/821356148.db2.gz ZBUVERXPCWOVGE-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085092794 821493422 /nfs/dbraw/zinc/49/34/22/821493422.db2.gz QCIKWDNDTNBZRF-ILXRZTDVSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092794 821493428 /nfs/dbraw/zinc/49/34/28/821493428.db2.gz QCIKWDNDTNBZRF-ILXRZTDVSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092794 821493434 /nfs/dbraw/zinc/49/34/34/821493434.db2.gz QCIKWDNDTNBZRF-ILXRZTDVSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598985 821841820 /nfs/dbraw/zinc/84/18/20/821841820.db2.gz FMKVSSVGBWNJBI-LSDHHAIUSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598985 821841830 /nfs/dbraw/zinc/84/18/30/821841830.db2.gz FMKVSSVGBWNJBI-LSDHHAIUSA-N 2 1 275.396 0.494 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086177494 822144157 /nfs/dbraw/zinc/14/41/57/822144157.db2.gz WHXWAHACLHATDR-QLFBSQMISA-N 2 1 295.427 0.766 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001086381624 822232344 /nfs/dbraw/zinc/23/23/44/822232344.db2.gz BZXUHKSABRGFCH-KKUMJFAQSA-N 2 1 277.412 0.978 20 30 CCEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC#CCOC ZINC001130424916 837791383 /nfs/dbraw/zinc/79/13/83/837791383.db2.gz GVZLOVNWGSIOMD-UHFFFAOYSA-N 2 1 269.389 0.072 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183647456 844055224 /nfs/dbraw/zinc/05/52/24/844055224.db2.gz IJPQMMPGXHLRJX-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090432119 836762180 /nfs/dbraw/zinc/76/21/80/836762180.db2.gz IJNRSKRZDDBHHV-UONOGXRCSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090432119 836762183 /nfs/dbraw/zinc/76/21/83/836762183.db2.gz IJNRSKRZDDBHHV-UONOGXRCSA-N 2 1 292.383 0.319 20 30 CCEDMP NC(=O)c1ccc(C(=[NH2+])Nc2ccnc(C[NH3+])c2)cc1 ZINC001171257234 840221238 /nfs/dbraw/zinc/22/12/38/840221238.db2.gz VMMOGQCUTVYSJO-UHFFFAOYSA-N 2 1 269.308 0.676 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001148551738 840836645 /nfs/dbraw/zinc/83/66/45/840836645.db2.gz UBJAKXVGLUPDLQ-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148551738 840836649 /nfs/dbraw/zinc/83/66/49/840836649.db2.gz UBJAKXVGLUPDLQ-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148551738 840836663 /nfs/dbraw/zinc/83/66/63/840836663.db2.gz UBJAKXVGLUPDLQ-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036869940 841431860 /nfs/dbraw/zinc/43/18/60/841431860.db2.gz MQULHGCGZZUKCW-GJZGRUSLSA-N 2 1 287.407 0.638 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179925841 843080555 /nfs/dbraw/zinc/08/05/55/843080555.db2.gz VHRGCRHCFPZKOI-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[NH+](CCOC)CC1 ZINC001183043750 843956769 /nfs/dbraw/zinc/95/67/69/843956769.db2.gz YAKBHNBRPODTAQ-UHFFFAOYSA-N 2 1 281.400 0.429 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192865558 845918774 /nfs/dbraw/zinc/91/87/74/845918774.db2.gz CSMUYIUGQZETBN-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192865558 845918777 /nfs/dbraw/zinc/91/87/77/845918777.db2.gz CSMUYIUGQZETBN-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193292837 846046236 /nfs/dbraw/zinc/04/62/36/846046236.db2.gz UVGSKABSJABFOE-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193292837 846046226 /nfs/dbraw/zinc/04/62/26/846046226.db2.gz UVGSKABSJABFOE-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193292837 846046229 /nfs/dbraw/zinc/04/62/29/846046229.db2.gz UVGSKABSJABFOE-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001193642087 846134069 /nfs/dbraw/zinc/13/40/69/846134069.db2.gz LTXARLYJSMOGTI-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC#CCOC)C1 ZINC001193642087 846134074 /nfs/dbraw/zinc/13/40/74/846134074.db2.gz LTXARLYJSMOGTI-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC#CCOC)C1 ZINC001193642087 846134076 /nfs/dbraw/zinc/13/40/76/846134076.db2.gz LTXARLYJSMOGTI-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001203798401 846337399 /nfs/dbraw/zinc/33/73/99/846337399.db2.gz TYKCRJTXBWEUKE-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203798401 846337403 /nfs/dbraw/zinc/33/74/03/846337403.db2.gz TYKCRJTXBWEUKE-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195709109 846606809 /nfs/dbraw/zinc/60/68/09/846606809.db2.gz WXAVBYWDXSAJTD-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198028688 847032734 /nfs/dbraw/zinc/03/27/34/847032734.db2.gz GGEWAPXENLMVPS-RRFJBIMHSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198028688 847032736 /nfs/dbraw/zinc/03/27/36/847032736.db2.gz GGEWAPXENLMVPS-RRFJBIMHSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198028688 847032738 /nfs/dbraw/zinc/03/27/38/847032738.db2.gz GGEWAPXENLMVPS-RRFJBIMHSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198663181 847151144 /nfs/dbraw/zinc/15/11/44/847151144.db2.gz ZGVVSYQLJRFDKT-MGPQQGTHSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198663181 847151150 /nfs/dbraw/zinc/15/11/50/847151150.db2.gz ZGVVSYQLJRFDKT-MGPQQGTHSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198663181 847151155 /nfs/dbraw/zinc/15/11/55/847151155.db2.gz ZGVVSYQLJRFDKT-MGPQQGTHSA-N 2 1 281.400 0.066 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023086 847202698 /nfs/dbraw/zinc/20/26/98/847202698.db2.gz AFOVUMAOGFWMNG-HUUCEWRRSA-N 2 1 293.411 0.047 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057588 847214797 /nfs/dbraw/zinc/21/47/97/847214797.db2.gz NGRDJLTZGORCNM-HUUCEWRRSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152551062 847232488 /nfs/dbraw/zinc/23/24/88/847232488.db2.gz LCVWABVHNPPPMK-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152551062 847232494 /nfs/dbraw/zinc/23/24/94/847232494.db2.gz LCVWABVHNPPPMK-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152551062 847232499 /nfs/dbraw/zinc/23/24/99/847232499.db2.gz LCVWABVHNPPPMK-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152551062 847232505 /nfs/dbraw/zinc/23/25/05/847232505.db2.gz LCVWABVHNPPPMK-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200807037 847694039 /nfs/dbraw/zinc/69/40/39/847694039.db2.gz UVFWRZGHZWRGGM-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201405085 847775959 /nfs/dbraw/zinc/77/59/59/847775959.db2.gz ZZFLBGHQYDCFFU-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110662653 847951409 /nfs/dbraw/zinc/95/14/09/847951409.db2.gz PMRQTFMTZHUYSU-KBXIAJHMSA-N 2 1 275.396 0.681 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110662653 847951413 /nfs/dbraw/zinc/95/14/13/847951413.db2.gz PMRQTFMTZHUYSU-KBXIAJHMSA-N 2 1 275.396 0.681 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114408775 848050472 /nfs/dbraw/zinc/05/04/72/848050472.db2.gz AIUQHFQIZPBFSH-CBBWQLFWSA-N 2 1 277.412 0.949 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)CC ZINC001114488682 848083646 /nfs/dbraw/zinc/08/36/46/848083646.db2.gz RFMVCYFCGRNUCL-ITGUQSILSA-N 2 1 263.385 0.396 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114488682 848083647 /nfs/dbraw/zinc/08/36/47/848083647.db2.gz RFMVCYFCGRNUCL-ITGUQSILSA-N 2 1 263.385 0.396 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114488682 848083651 /nfs/dbraw/zinc/08/36/51/848083651.db2.gz RFMVCYFCGRNUCL-ITGUQSILSA-N 2 1 263.385 0.396 20 30 CCEDMP C#CCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001275977967 848879396 /nfs/dbraw/zinc/87/93/96/848879396.db2.gz HGEDYMNASLFLOO-GASCZTMLSA-N 2 1 265.401 0.346 20 30 CCEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001039343669 850175908 /nfs/dbraw/zinc/17/59/08/850175908.db2.gz YMVVZGNPJSYEPS-ILXRZTDVSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001039343669 850175913 /nfs/dbraw/zinc/17/59/13/850175913.db2.gz YMVVZGNPJSYEPS-ILXRZTDVSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001039343669 850175919 /nfs/dbraw/zinc/17/59/19/850175919.db2.gz YMVVZGNPJSYEPS-ILXRZTDVSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001039343669 850175921 /nfs/dbraw/zinc/17/59/21/850175921.db2.gz YMVVZGNPJSYEPS-ILXRZTDVSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3ccnc3)C[C@@H]21 ZINC001042173120 850587952 /nfs/dbraw/zinc/58/79/52/850587952.db2.gz LVURTAMNOWHJMJ-CABCVRRESA-N 2 1 286.379 0.829 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001044782747 851156954 /nfs/dbraw/zinc/15/69/54/851156954.db2.gz ZXKBDBCFPVKTTQ-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045639196 851290956 /nfs/dbraw/zinc/29/09/56/851290956.db2.gz CXIHBCGRDVZKAT-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046926623 851646490 /nfs/dbraw/zinc/64/64/90/851646490.db2.gz UPEBJMVCFRGSJH-OLZOCXBDSA-N 2 1 299.365 0.787 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046926623 851646492 /nfs/dbraw/zinc/64/64/92/851646492.db2.gz UPEBJMVCFRGSJH-OLZOCXBDSA-N 2 1 299.365 0.787 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046926623 851646494 /nfs/dbraw/zinc/64/64/94/851646494.db2.gz UPEBJMVCFRGSJH-OLZOCXBDSA-N 2 1 299.365 0.787 20 30 CCEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046926623 851646502 /nfs/dbraw/zinc/64/65/02/851646502.db2.gz UPEBJMVCFRGSJH-OLZOCXBDSA-N 2 1 299.365 0.787 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001047529092 851803746 /nfs/dbraw/zinc/80/37/46/851803746.db2.gz QIDWQVUBRRJJRB-IHRRRGAJSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001047529092 851803752 /nfs/dbraw/zinc/80/37/52/851803752.db2.gz QIDWQVUBRRJJRB-IHRRRGAJSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001047529092 851803756 /nfs/dbraw/zinc/80/37/56/851803756.db2.gz QIDWQVUBRRJJRB-IHRRRGAJSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001047529092 851803762 /nfs/dbraw/zinc/80/37/62/851803762.db2.gz QIDWQVUBRRJJRB-IHRRRGAJSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)Cn3cncc3C)C[C@H]2C1 ZINC001048938994 852115635 /nfs/dbraw/zinc/11/56/35/852115635.db2.gz YCABWYXRLXAKEB-OKILXGFUSA-N 2 1 274.368 0.768 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001048938994 852115642 /nfs/dbraw/zinc/11/56/42/852115642.db2.gz YCABWYXRLXAKEB-OKILXGFUSA-N 2 1 274.368 0.768 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001048938994 852115650 /nfs/dbraw/zinc/11/56/50/852115650.db2.gz YCABWYXRLXAKEB-OKILXGFUSA-N 2 1 274.368 0.768 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001049038398 852144497 /nfs/dbraw/zinc/14/44/97/852144497.db2.gz GWJATRJDVYZZMK-OWCLPIDISA-N 2 1 291.439 0.986 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001049065449 852152253 /nfs/dbraw/zinc/15/22/53/852152253.db2.gz SKPBXJNCAIWMSV-MJBXVCDLSA-N 2 1 265.401 0.903 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059706 852152802 /nfs/dbraw/zinc/15/28/02/852152802.db2.gz DRQXALVHAWPUGY-BYNSBNAKSA-N 2 1 275.396 0.208 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059706 852152806 /nfs/dbraw/zinc/15/28/06/852152806.db2.gz DRQXALVHAWPUGY-BYNSBNAKSA-N 2 1 275.396 0.208 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059706 852152810 /nfs/dbraw/zinc/15/28/10/852152810.db2.gz DRQXALVHAWPUGY-BYNSBNAKSA-N 2 1 275.396 0.208 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097776425 852607997 /nfs/dbraw/zinc/60/79/97/852607997.db2.gz ZDGWTRXITBTSCV-KFWWJZLASA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097776425 852608001 /nfs/dbraw/zinc/60/80/01/852608001.db2.gz ZDGWTRXITBTSCV-KFWWJZLASA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001054833459 853021262 /nfs/dbraw/zinc/02/12/62/853021262.db2.gz JQUSXDYKJASRLT-SMDDNHRTSA-N 2 1 290.367 0.420 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050203244 853334678 /nfs/dbraw/zinc/33/46/78/853334678.db2.gz ZAJUCDRYOOBILE-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050203244 853334686 /nfs/dbraw/zinc/33/46/86/853334686.db2.gz ZAJUCDRYOOBILE-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050203244 853334698 /nfs/dbraw/zinc/33/46/98/853334698.db2.gz ZAJUCDRYOOBILE-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001072982935 854506888 /nfs/dbraw/zinc/50/68/88/854506888.db2.gz GJZYRHPGDNDVHB-KGLIPLIRSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072982935 854506899 /nfs/dbraw/zinc/50/68/99/854506899.db2.gz GJZYRHPGDNDVHB-KGLIPLIRSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072982935 854506900 /nfs/dbraw/zinc/50/69/00/854506900.db2.gz GJZYRHPGDNDVHB-KGLIPLIRSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CC)C3)CC1 ZINC001073457233 854559117 /nfs/dbraw/zinc/55/91/17/854559117.db2.gz HIKUCBSNTCDHLL-UHFFFAOYSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001075106014 854812325 /nfs/dbraw/zinc/81/23/25/854812325.db2.gz GDFNQXBKJVZNNO-XQQFMLRXSA-N 2 1 251.374 0.703 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099528742 854935429 /nfs/dbraw/zinc/93/54/29/854935429.db2.gz IUVGAHPGFXCASS-JONQDZQNSA-N 2 1 289.423 0.740 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871600 855013006 /nfs/dbraw/zinc/01/30/06/855013006.db2.gz HUKRFSYPIDJISZ-CHWSQXEVSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099878916 855015729 /nfs/dbraw/zinc/01/57/29/855015729.db2.gz BGRBTJOMOJXXPF-CABCVRRESA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099878916 855015732 /nfs/dbraw/zinc/01/57/32/855015732.db2.gz BGRBTJOMOJXXPF-CABCVRRESA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099878916 855015742 /nfs/dbraw/zinc/01/57/42/855015742.db2.gz BGRBTJOMOJXXPF-CABCVRRESA-N 2 1 295.427 0.598 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099878943 855017332 /nfs/dbraw/zinc/01/73/32/855017332.db2.gz BVDMYUCWCKUIQO-LSDHHAIUSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099878943 855017338 /nfs/dbraw/zinc/01/73/38/855017338.db2.gz BVDMYUCWCKUIQO-LSDHHAIUSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099878943 855017346 /nfs/dbraw/zinc/01/73/46/855017346.db2.gz BVDMYUCWCKUIQO-LSDHHAIUSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100009288 855070506 /nfs/dbraw/zinc/07/05/06/855070506.db2.gz VVFPFTPQAISZNN-ZIAGYGMSSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100009288 855070509 /nfs/dbraw/zinc/07/05/09/855070509.db2.gz VVFPFTPQAISZNN-ZIAGYGMSSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100009288 855070513 /nfs/dbraw/zinc/07/05/13/855070513.db2.gz VVFPFTPQAISZNN-ZIAGYGMSSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100009288 855070517 /nfs/dbraw/zinc/07/05/17/855070517.db2.gz VVFPFTPQAISZNN-ZIAGYGMSSA-N 2 1 295.427 0.149 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100131558 855103359 /nfs/dbraw/zinc/10/33/59/855103359.db2.gz FIOHQENQKHXTID-LSDHHAIUSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131558 855103367 /nfs/dbraw/zinc/10/33/67/855103367.db2.gz FIOHQENQKHXTID-LSDHHAIUSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131558 855103375 /nfs/dbraw/zinc/10/33/75/855103375.db2.gz FIOHQENQKHXTID-LSDHHAIUSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114991625 855633725 /nfs/dbraw/zinc/63/37/25/855633725.db2.gz GLNLEYIHTZHUPR-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP COCC#CC[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001480886684 891595089 /nfs/dbraw/zinc/59/50/89/891595089.db2.gz ZEBGJCHTAUJWAK-UHFFFAOYSA-N 2 1 293.411 0.313 20 30 CCEDMP COCC#CC[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001480886684 891595097 /nfs/dbraw/zinc/59/50/97/891595097.db2.gz ZEBGJCHTAUJWAK-UHFFFAOYSA-N 2 1 293.411 0.313 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001481108090 892170548 /nfs/dbraw/zinc/17/05/48/892170548.db2.gz OTGIVDAFPNCWJN-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001481124974 892198935 /nfs/dbraw/zinc/19/89/35/892198935.db2.gz YYWIEHJLTCOJIL-CQSZACIVSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C/C=C\Cl ZINC001481242569 892419638 /nfs/dbraw/zinc/41/96/38/892419638.db2.gz OWCWEBKKWPOUGV-VGVVRCBHSA-N 2 1 283.803 0.885 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C/C=C\Cl ZINC001481242569 892419649 /nfs/dbraw/zinc/41/96/49/892419649.db2.gz OWCWEBKKWPOUGV-VGVVRCBHSA-N 2 1 283.803 0.885 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001481630521 892936096 /nfs/dbraw/zinc/93/60/96/892936096.db2.gz KFLNGDSAPRKWNB-CYBMUJFWSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CCOCC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001481658048 892974591 /nfs/dbraw/zinc/97/45/91/892974591.db2.gz DHMGLOSTKKPELQ-UHFFFAOYSA-N 2 1 292.383 0.442 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001481692342 893015072 /nfs/dbraw/zinc/01/50/72/893015072.db2.gz JSCDFDDYHPWODZ-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001481692342 893015091 /nfs/dbraw/zinc/01/50/91/893015091.db2.gz JSCDFDDYHPWODZ-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481746576 893111066 /nfs/dbraw/zinc/11/10/66/893111066.db2.gz GGAWZVKYMLWUGQ-OLZOCXBDSA-N 2 1 251.374 0.493 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001482199260 893520302 /nfs/dbraw/zinc/52/03/02/893520302.db2.gz JTHHRUWVCHXWNR-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001482199260 893520323 /nfs/dbraw/zinc/52/03/23/893520323.db2.gz JTHHRUWVCHXWNR-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001482199260 893520338 /nfs/dbraw/zinc/52/03/38/893520338.db2.gz JTHHRUWVCHXWNR-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001482199260 893520356 /nfs/dbraw/zinc/52/03/56/893520356.db2.gz JTHHRUWVCHXWNR-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001482553568 894232271 /nfs/dbraw/zinc/23/22/71/894232271.db2.gz NIECEVAVSIVFRO-KGLIPLIRSA-N 2 1 265.401 0.692 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001482620989 894423208 /nfs/dbraw/zinc/42/32/08/894423208.db2.gz ZJCAIECUYMEPPO-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482620989 894423226 /nfs/dbraw/zinc/42/32/26/894423226.db2.gz ZJCAIECUYMEPPO-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001482620989 894423242 /nfs/dbraw/zinc/42/32/42/894423242.db2.gz ZJCAIECUYMEPPO-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482967264 894734998 /nfs/dbraw/zinc/73/49/98/894734998.db2.gz OZQZSEUEKJBJEG-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001482970259 894736518 /nfs/dbraw/zinc/73/65/18/894736518.db2.gz QNQPBXOHFRKHKH-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001483373813 895506393 /nfs/dbraw/zinc/50/63/93/895506393.db2.gz DLCHAYFXQXGYST-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483373813 895506402 /nfs/dbraw/zinc/50/64/02/895506402.db2.gz DLCHAYFXQXGYST-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483373813 895506416 /nfs/dbraw/zinc/50/64/16/895506416.db2.gz DLCHAYFXQXGYST-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001483410360 895545129 /nfs/dbraw/zinc/54/51/29/895545129.db2.gz VHVAWTSIEMLTJM-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483410360 895545137 /nfs/dbraw/zinc/54/51/37/895545137.db2.gz VHVAWTSIEMLTJM-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483410360 895545144 /nfs/dbraw/zinc/54/51/44/895545144.db2.gz VHVAWTSIEMLTJM-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001483382776 895526546 /nfs/dbraw/zinc/52/65/46/895526546.db2.gz DBHUMLFBSADDAZ-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483382776 895526554 /nfs/dbraw/zinc/52/65/54/895526554.db2.gz DBHUMLFBSADDAZ-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483382776 895526561 /nfs/dbraw/zinc/52/65/61/895526561.db2.gz DBHUMLFBSADDAZ-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001483587862 895664851 /nfs/dbraw/zinc/66/48/51/895664851.db2.gz OGCRTUHIYQCWDW-DZGCQCFKSA-N 2 1 277.412 0.836 20 30 CCEDMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001328457993 915210782 /nfs/dbraw/zinc/21/07/82/915210782.db2.gz BZTJWZKVJCGFCE-STQMWFEESA-N 2 1 269.389 0.378 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001484380331 896370955 /nfs/dbraw/zinc/37/09/55/896370955.db2.gz HVQHPJDREXRQAX-KGLIPLIRSA-N 2 1 265.401 0.646 20 30 CCEDMP C=CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484450607 896410901 /nfs/dbraw/zinc/41/09/01/896410901.db2.gz UBQIPIIVQCOTKR-DZGCQCFKSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484450607 896410914 /nfs/dbraw/zinc/41/09/14/896410914.db2.gz UBQIPIIVQCOTKR-DZGCQCFKSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484450607 896410922 /nfs/dbraw/zinc/41/09/22/896410922.db2.gz UBQIPIIVQCOTKR-DZGCQCFKSA-N 2 1 281.400 0.067 20 30 CCEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485715881 897199653 /nfs/dbraw/zinc/19/96/53/897199653.db2.gz IPFGVVKRAQSAGV-ZIAGYGMSSA-N 2 1 281.400 0.215 20 30 CCEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485715881 897199663 /nfs/dbraw/zinc/19/96/63/897199663.db2.gz IPFGVVKRAQSAGV-ZIAGYGMSSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001272885990 898119353 /nfs/dbraw/zinc/11/93/53/898119353.db2.gz RQHXQZFDNZJJIT-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001272885990 898119355 /nfs/dbraw/zinc/11/93/55/898119355.db2.gz RQHXQZFDNZJJIT-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001078229418 898304507 /nfs/dbraw/zinc/30/45/07/898304507.db2.gz GZZLWNXNKWBPJV-QLFBSQMISA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001078229418 898304518 /nfs/dbraw/zinc/30/45/18/898304518.db2.gz GZZLWNXNKWBPJV-QLFBSQMISA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001078229418 898304530 /nfs/dbraw/zinc/30/45/30/898304530.db2.gz GZZLWNXNKWBPJV-QLFBSQMISA-N 2 1 295.427 0.598 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC)C1 ZINC001078412946 898375389 /nfs/dbraw/zinc/37/53/89/898375389.db2.gz LVBMEGGTXMNADW-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC)C1 ZINC001078412946 898375406 /nfs/dbraw/zinc/37/54/06/898375406.db2.gz LVBMEGGTXMNADW-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486053232 898641281 /nfs/dbraw/zinc/64/12/81/898641281.db2.gz WSLJEICXDSTNRU-VXGBXAGGSA-N 2 1 289.807 0.147 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486053232 898641289 /nfs/dbraw/zinc/64/12/89/898641289.db2.gz WSLJEICXDSTNRU-VXGBXAGGSA-N 2 1 289.807 0.147 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001486184011 898701046 /nfs/dbraw/zinc/70/10/46/898701046.db2.gz PBYNZWDCZBSXAH-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001486184011 898701055 /nfs/dbraw/zinc/70/10/55/898701055.db2.gz PBYNZWDCZBSXAH-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001486217487 898717123 /nfs/dbraw/zinc/71/71/23/898717123.db2.gz YMSYJDYORGUOJC-LSDHHAIUSA-N 2 1 293.411 0.216 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC001327019834 914317873 /nfs/dbraw/zinc/31/78/73/914317873.db2.gz QHWQFROSTHFYQP-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193755240 900041899 /nfs/dbraw/zinc/04/18/99/900041899.db2.gz JJPVVXGZDSAHPM-CHWSQXEVSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193755240 900041908 /nfs/dbraw/zinc/04/19/08/900041908.db2.gz JJPVVXGZDSAHPM-CHWSQXEVSA-N 2 1 281.400 0.208 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001490569909 900668207 /nfs/dbraw/zinc/66/82/07/900668207.db2.gz LRYUQDBSLSWFAQ-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001319438573 900881913 /nfs/dbraw/zinc/88/19/13/900881913.db2.gz DVGRPPGEXGVSTD-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001319438573 900881932 /nfs/dbraw/zinc/88/19/32/900881932.db2.gz DVGRPPGEXGVSTD-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C\Cl ZINC001491487346 903620678 /nfs/dbraw/zinc/62/06/78/903620678.db2.gz ZTUZJMHGOPADHT-XHSUHYBKSA-N 2 1 283.803 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C/C=C\Cl ZINC001491487346 903620684 /nfs/dbraw/zinc/62/06/84/903620684.db2.gz ZTUZJMHGOPADHT-XHSUHYBKSA-N 2 1 283.803 0.931 20 30 CCEDMP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001281529888 904299482 /nfs/dbraw/zinc/29/94/82/904299482.db2.gz CYMXABYCVUKCCV-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001281714068 904335657 /nfs/dbraw/zinc/33/56/57/904335657.db2.gz LSOIOGDQEJVOAU-YNEHKIRRSA-N 2 1 251.374 0.444 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC#CCOC ZINC001282215203 904435528 /nfs/dbraw/zinc/43/55/28/904435528.db2.gz QQQGLAYPFYEJKI-UONOGXRCSA-N 2 1 283.416 0.461 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001282403855 904471162 /nfs/dbraw/zinc/47/11/62/904471162.db2.gz XPPXHVKYEPYTMD-GJZGRUSLSA-N 2 1 275.396 0.544 20 30 CCEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001282403855 904471145 /nfs/dbraw/zinc/47/11/45/904471145.db2.gz XPPXHVKYEPYTMD-GJZGRUSLSA-N 2 1 275.396 0.544 20 30 CCEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001282403855 904471150 /nfs/dbraw/zinc/47/11/50/904471150.db2.gz XPPXHVKYEPYTMD-GJZGRUSLSA-N 2 1 275.396 0.544 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001282403855 904471156 /nfs/dbraw/zinc/47/11/56/904471156.db2.gz XPPXHVKYEPYTMD-GJZGRUSLSA-N 2 1 275.396 0.544 20 30 CCEDMP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001282637719 904512708 /nfs/dbraw/zinc/51/27/08/904512708.db2.gz BDDUFALQKISALD-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001282637719 904512718 /nfs/dbraw/zinc/51/27/18/904512718.db2.gz BDDUFALQKISALD-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001282832546 904548363 /nfs/dbraw/zinc/54/83/63/904548363.db2.gz KRSANKRTRIXWSU-ZDUSSCGKSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001282832546 904548372 /nfs/dbraw/zinc/54/83/72/904548372.db2.gz KRSANKRTRIXWSU-ZDUSSCGKSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001282832546 904548381 /nfs/dbraw/zinc/54/83/81/904548381.db2.gz KRSANKRTRIXWSU-ZDUSSCGKSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001316635731 905471471 /nfs/dbraw/zinc/47/14/71/905471471.db2.gz JQQJKCMNSGDCOS-HDJSIYSDSA-N 2 1 274.368 0.699 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001382392793 907718699 /nfs/dbraw/zinc/71/86/99/907718699.db2.gz VTLSXVNQWXJPCT-NWDGAFQWSA-N 2 1 289.807 0.242 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1CC#C ZINC001492293327 907860652 /nfs/dbraw/zinc/86/06/52/907860652.db2.gz LPYDIIBOIXMMMF-AWEZNQCLSA-N 2 1 261.369 0.155 20 30 CCEDMP C#CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001492293327 907860666 /nfs/dbraw/zinc/86/06/66/907860666.db2.gz LPYDIIBOIXMMMF-AWEZNQCLSA-N 2 1 261.369 0.155 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001492293327 907860679 /nfs/dbraw/zinc/86/06/79/907860679.db2.gz LPYDIIBOIXMMMF-AWEZNQCLSA-N 2 1 261.369 0.155 20 30 CCEDMP C#CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001492293327 907860693 /nfs/dbraw/zinc/86/06/93/907860693.db2.gz LPYDIIBOIXMMMF-AWEZNQCLSA-N 2 1 261.369 0.155 20 30 CCEDMP C#CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001492293327 907860704 /nfs/dbraw/zinc/86/07/04/907860704.db2.gz LPYDIIBOIXMMMF-AWEZNQCLSA-N 2 1 261.369 0.155 20 30 CCEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316744164 908564891 /nfs/dbraw/zinc/56/48/91/908564891.db2.gz MFDNIWKXRKYDDZ-HUUCEWRRSA-N 2 1 295.427 0.552 20 30 CCEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316744164 908564904 /nfs/dbraw/zinc/56/49/04/908564904.db2.gz MFDNIWKXRKYDDZ-HUUCEWRRSA-N 2 1 295.427 0.552 20 30 CCEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316744164 908564914 /nfs/dbraw/zinc/56/49/14/908564914.db2.gz MFDNIWKXRKYDDZ-HUUCEWRRSA-N 2 1 295.427 0.552 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001341569363 908616206 /nfs/dbraw/zinc/61/62/06/908616206.db2.gz MRTUPPASGSVYIW-MGPQQGTHSA-N 2 1 265.401 0.692 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C1 ZINC001316759165 908681591 /nfs/dbraw/zinc/68/15/91/908681591.db2.gz QUSMPAIBMBMQFR-CABCVRRESA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001316759165 908681597 /nfs/dbraw/zinc/68/15/97/908681597.db2.gz QUSMPAIBMBMQFR-CABCVRRESA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001316759165 908681604 /nfs/dbraw/zinc/68/16/04/908681604.db2.gz QUSMPAIBMBMQFR-CABCVRRESA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[N@@H+](CC)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001316907418 908830872 /nfs/dbraw/zinc/83/08/72/908830872.db2.gz OCQDXQPDXWFNRU-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](CC)CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001316907418 908830888 /nfs/dbraw/zinc/83/08/88/908830888.db2.gz OCQDXQPDXWFNRU-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](CC)CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001316907418 908830906 /nfs/dbraw/zinc/83/09/06/908830906.db2.gz OCQDXQPDXWFNRU-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001316944157 908860113 /nfs/dbraw/zinc/86/01/13/908860113.db2.gz OFWUNWHYUCHHRX-LSDHHAIUSA-N 2 1 295.427 0.557 20 30 CCEDMP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001316944157 908860124 /nfs/dbraw/zinc/86/01/24/908860124.db2.gz OFWUNWHYUCHHRX-LSDHHAIUSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317145443 909012055 /nfs/dbraw/zinc/01/20/55/909012055.db2.gz AUJFQAJYWFSFSC-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317145443 909012069 /nfs/dbraw/zinc/01/20/69/909012069.db2.gz AUJFQAJYWFSFSC-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001317266424 909100408 /nfs/dbraw/zinc/10/04/08/909100408.db2.gz WJJUESBWQRMODU-AWEZNQCLSA-N 2 1 297.443 0.708 20 30 CCEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001317310681 909133571 /nfs/dbraw/zinc/13/35/71/909133571.db2.gz WHEOAJNJEGEXJE-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001317310681 909133576 /nfs/dbraw/zinc/13/35/76/909133576.db2.gz WHEOAJNJEGEXJE-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317316566 909140075 /nfs/dbraw/zinc/14/00/75/909140075.db2.gz JFZGTHCZLMIEHX-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317316566 909140080 /nfs/dbraw/zinc/14/00/80/909140080.db2.gz JFZGTHCZLMIEHX-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317530092 909297267 /nfs/dbraw/zinc/29/72/67/909297267.db2.gz SYHNNDFRGFLGAK-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317808786 909506505 /nfs/dbraw/zinc/50/65/05/909506505.db2.gz HTQBCLCMRYYIMI-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001318949189 909934494 /nfs/dbraw/zinc/93/44/94/909934494.db2.gz XFZCOVUPDDPCCI-KKUMJFAQSA-N 2 1 293.411 0.357 20 30 CCEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001318949189 909934501 /nfs/dbraw/zinc/93/45/01/909934501.db2.gz XFZCOVUPDDPCCI-KKUMJFAQSA-N 2 1 293.411 0.357 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001319323153 910096153 /nfs/dbraw/zinc/09/61/53/910096153.db2.gz VBHXJVJXJSEDDM-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001319323153 910096166 /nfs/dbraw/zinc/09/61/66/910096166.db2.gz VBHXJVJXJSEDDM-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC001319342873 910107810 /nfs/dbraw/zinc/10/78/10/910107810.db2.gz RVYSQLQZTWHJQC-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001319342873 910107825 /nfs/dbraw/zinc/10/78/25/910107825.db2.gz RVYSQLQZTWHJQC-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@@H]21 ZINC001320111287 910471988 /nfs/dbraw/zinc/47/19/88/910471988.db2.gz NUTKBHCYPPJVRW-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001320111287 910471995 /nfs/dbraw/zinc/47/19/95/910471995.db2.gz NUTKBHCYPPJVRW-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001328457993 915210770 /nfs/dbraw/zinc/21/07/70/915210770.db2.gz BZTJWZKVJCGFCE-STQMWFEESA-N 2 1 269.389 0.378 20 30 CCEDMP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001330405255 916611179 /nfs/dbraw/zinc/61/11/79/916611179.db2.gz QOGRXIXBSQXUCD-KBPBESRZSA-N 2 1 292.383 0.583 20 30 CCEDMP C=CCO[C@H]1CC[N@H+](C[C@@H](O)CN(C)CCOC)C1 ZINC001332839300 918472567 /nfs/dbraw/zinc/47/25/67/918472567.db2.gz BMYIHWNSQQTNAT-KBPBESRZSA-N 2 1 272.389 0.202 20 30 CCEDMP C=CCO[C@H]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC001332839300 918472575 /nfs/dbraw/zinc/47/25/75/918472575.db2.gz BMYIHWNSQQTNAT-KBPBESRZSA-N 2 1 272.389 0.202 20 30 CCEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)CC#N)[C@@H](C)C1 ZINC001335812461 920450607 /nfs/dbraw/zinc/45/06/07/920450607.db2.gz DIBOSEPTIHYABD-RRFJBIMHSA-N 2 1 283.416 0.988 20 30 CCEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CC#N)[C@@H](C)C1 ZINC001335812461 920450618 /nfs/dbraw/zinc/45/06/18/920450618.db2.gz DIBOSEPTIHYABD-RRFJBIMHSA-N 2 1 283.416 0.988 20 30 CCEDMP N#CC1(C[C@@H](O)C[NH2+][C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001336727352 920958806 /nfs/dbraw/zinc/95/88/06/920958806.db2.gz HCOVLVIERIRORQ-WCQYABFASA-N 2 1 260.341 0.842 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001340241927 922020492 /nfs/dbraw/zinc/02/04/92/922020492.db2.gz RRGPXMBOFMXQLU-CQSZACIVSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[NH2+]CC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC001343443617 923320042 /nfs/dbraw/zinc/32/00/42/923320042.db2.gz ARIZODUSYSJENR-UHFFFAOYSA-N 2 1 277.343 0.597 20 30 CCEDMP CC1(C)CC[N@@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001345491616 923905443 /nfs/dbraw/zinc/90/54/43/923905443.db2.gz VQCPIKYGBLKZKH-GFCCVEGCSA-N 2 1 266.389 0.856 20 30 CCEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001448875857 931014873 /nfs/dbraw/zinc/01/48/73/931014873.db2.gz YOEIULVKCBWJMN-HUUCEWRRSA-N 2 1 294.443 0.341 20 30 CCEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000332729560 529799213 /nfs/dbraw/zinc/79/92/13/529799213.db2.gz VDJVSIOPNKGTSQ-HZSPNIEDSA-N 2 1 278.400 0.950 20 30 CCEDMP CN1CC[N@H+](C)C[C@H]1CNCc1ccc(C#N)s1 ZINC000135691624 350406314 /nfs/dbraw/zinc/40/63/14/350406314.db2.gz JHYQDBOMYKSLLS-LLVKDONJSA-N 2 1 264.398 0.955 20 30 CCEDMP C[C@H](C[NH2+]Cc1nc(C#N)cs1)CN1CC[NH+](C)CC1 ZINC000352832655 356092090 /nfs/dbraw/zinc/09/20/90/356092090.db2.gz FULFMKSUBXYPII-GFCCVEGCSA-N 2 1 293.440 0.988 20 30 CCEDMP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000594659597 360356489 /nfs/dbraw/zinc/35/64/89/360356489.db2.gz GMNGEGQKMOJNDI-CHWSQXEVSA-N 2 1 292.383 0.301 20 30 CCEDMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000594659597 360356495 /nfs/dbraw/zinc/35/64/95/360356495.db2.gz GMNGEGQKMOJNDI-CHWSQXEVSA-N 2 1 292.383 0.301 20 30 CCEDMP C[NH+](C)CCC[N@H+](C)CCNc1ncncc1C#N ZINC000596425155 360889734 /nfs/dbraw/zinc/88/97/34/360889734.db2.gz NKZHXNQGOHGUTG-UHFFFAOYSA-N 2 1 262.361 0.066 20 30 CCEDMP C[NH+](C)CCC[N@@H+](C)CCNc1ncncc1C#N ZINC000596425155 360889738 /nfs/dbraw/zinc/88/97/38/360889738.db2.gz NKZHXNQGOHGUTG-UHFFFAOYSA-N 2 1 262.361 0.066 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629593210 369732607 /nfs/dbraw/zinc/73/26/07/369732607.db2.gz IPNQRJUPOGXEAI-AEGPPILISA-N 2 1 263.385 0.705 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629593210 369732612 /nfs/dbraw/zinc/73/26/12/369732612.db2.gz IPNQRJUPOGXEAI-AEGPPILISA-N 2 1 263.385 0.705 20 30 CCEDMP C#CCNC(=O)CC[N@@H+](C)CCCn1ccnc1C ZINC000292720723 388953929 /nfs/dbraw/zinc/95/39/29/388953929.db2.gz ALUNQWXEQIUWPQ-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000292720723 388953930 /nfs/dbraw/zinc/95/39/30/388953930.db2.gz ALUNQWXEQIUWPQ-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP C#CCNC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000292720723 388953935 /nfs/dbraw/zinc/95/39/35/388953935.db2.gz ALUNQWXEQIUWPQ-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000328209821 389127159 /nfs/dbraw/zinc/12/71/59/389127159.db2.gz WAPLNQBAWUJFNG-UHFFFAOYSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000328209821 389127162 /nfs/dbraw/zinc/12/71/62/389127162.db2.gz WAPLNQBAWUJFNG-UHFFFAOYSA-N 2 1 280.416 0.677 20 30 CCEDMP O[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000339782860 389139727 /nfs/dbraw/zinc/13/97/27/389139727.db2.gz ZRYWDIGFXOTBDE-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCO[C@H](COC)C1 ZINC000261833687 389277175 /nfs/dbraw/zinc/27/71/75/389277175.db2.gz JGQSWLIBRSTMMH-ZDUSSCGKSA-N 2 1 295.387 0.114 20 30 CCEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)NC1CC1 ZINC000262196125 389283011 /nfs/dbraw/zinc/28/30/11/389283011.db2.gz HOAJLMMRSRMFEU-OAHLLOKOSA-N 2 1 288.395 0.820 20 30 CCEDMP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)N1 ZINC000262624970 389290289 /nfs/dbraw/zinc/29/02/89/389290289.db2.gz DGALIJBJYOEYKK-DOMZBBRYSA-N 2 1 288.395 0.691 20 30 CCEDMP COCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264125184 389307836 /nfs/dbraw/zinc/30/78/36/389307836.db2.gz WDZWOASVBKXTLO-ZDUSSCGKSA-N 2 1 290.411 0.984 20 30 CCEDMP COCCNC(=[NH2+])NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264125184 389307839 /nfs/dbraw/zinc/30/78/39/389307839.db2.gz WDZWOASVBKXTLO-ZDUSSCGKSA-N 2 1 290.411 0.984 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000267433957 389371106 /nfs/dbraw/zinc/37/11/06/389371106.db2.gz NKIZDBGVVSFOQZ-NSHDSACASA-N 2 1 267.377 0.911 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(C)nn(C)c1C ZINC000267475280 389372050 /nfs/dbraw/zinc/37/20/50/389372050.db2.gz ZDZGPZYLDVOEJC-CYBMUJFWSA-N 2 1 292.431 0.926 20 30 CCEDMP C#C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373477994 389485613 /nfs/dbraw/zinc/48/56/13/389485613.db2.gz AYWMPMPGYAWMPO-OLZOCXBDSA-N 2 1 278.400 0.476 20 30 CCEDMP C#C[C@@H](C)NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373477994 389485617 /nfs/dbraw/zinc/48/56/17/389485617.db2.gz AYWMPMPGYAWMPO-OLZOCXBDSA-N 2 1 278.400 0.476 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397236588 389778308 /nfs/dbraw/zinc/77/83/08/389778308.db2.gz BSNYVAORDAGHLP-TUAOUCFPSA-N 2 1 282.388 0.303 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397236588 389778310 /nfs/dbraw/zinc/77/83/10/389778310.db2.gz BSNYVAORDAGHLP-TUAOUCFPSA-N 2 1 282.388 0.303 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430569462 389808663 /nfs/dbraw/zinc/80/86/63/389808663.db2.gz IVMQAHNJFABBAF-GRYCIOLGSA-N 2 1 282.388 0.446 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430569462 389808666 /nfs/dbraw/zinc/80/86/66/389808666.db2.gz IVMQAHNJFABBAF-GRYCIOLGSA-N 2 1 282.388 0.446 20 30 CCEDMP N#C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000442796271 389863031 /nfs/dbraw/zinc/86/30/31/389863031.db2.gz VTCAPWJNZUUELF-MGPQQGTHSA-N 2 1 278.400 0.856 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCC[NH2+]CC2)C1=O ZINC000420312820 389981816 /nfs/dbraw/zinc/98/18/16/389981816.db2.gz OYVDRSVTZDRVEK-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCC[NH2+]CC2)C1=O ZINC000420312820 389981818 /nfs/dbraw/zinc/98/18/18/389981818.db2.gz OYVDRSVTZDRVEK-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345698 389987303 /nfs/dbraw/zinc/98/73/03/389987303.db2.gz WKTWWGILBLOONT-QWHCGFSZSA-N 2 1 294.399 0.320 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000491453413 390113535 /nfs/dbraw/zinc/11/35/35/390113535.db2.gz RASROOGAYVQZTO-LBPRGKRZSA-N 2 1 289.383 0.521 20 30 CCEDMP C=CCOCCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000645095065 390369947 /nfs/dbraw/zinc/36/99/47/390369947.db2.gz VOKNCPCXBWEWMH-OAHLLOKOSA-N 2 1 267.417 0.901 20 30 CCEDMP C=CCOCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000645095065 390369951 /nfs/dbraw/zinc/36/99/51/390369951.db2.gz VOKNCPCXBWEWMH-OAHLLOKOSA-N 2 1 267.417 0.901 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000572869755 390808274 /nfs/dbraw/zinc/80/82/74/390808274.db2.gz OBYVBTSIAJNGNE-BDAKNGLRSA-N 2 1 260.288 0.073 20 30 CCEDMP C[NH+]1CCC(N2CC[C@@H](Nc3cnc(C#N)cn3)C2)CC1 ZINC000372177932 144356696 /nfs/dbraw/zinc/35/66/96/144356696.db2.gz FYMKXIUZIICXBM-GFCCVEGCSA-N 2 1 286.383 0.929 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)C1=O ZINC000652356551 412036330 /nfs/dbraw/zinc/03/63/30/412036330.db2.gz RRCYMHIFHKGEBW-JHJVBQTASA-N 2 1 267.373 0.069 20 30 CCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)C1=O ZINC000652356551 412036334 /nfs/dbraw/zinc/03/63/34/412036334.db2.gz RRCYMHIFHKGEBW-JHJVBQTASA-N 2 1 267.373 0.069 20 30 CCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000328832168 545019657 /nfs/dbraw/zinc/01/96/57/545019657.db2.gz VGHRKXLYPHJUAR-CQSZACIVSA-N 2 1 287.367 0.885 20 30 CCEDMP C[NH+]=C(NCCn1ccnc1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158313821 261163015 /nfs/dbraw/zinc/16/30/15/261163015.db2.gz MXWNRXNLKFTSPS-KBPBESRZSA-N 2 1 292.431 0.777 20 30 CCEDMP CCCCNC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000104175053 261289143 /nfs/dbraw/zinc/28/91/43/261289143.db2.gz WZHNHMLPMQUIGM-UHFFFAOYSA-N 2 1 255.410 0.328 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)nn1C ZINC000283962892 263084925 /nfs/dbraw/zinc/08/49/25/263084925.db2.gz KPSMBMFGTXZXBW-GFCCVEGCSA-N 2 1 278.404 0.617 20 30 CCEDMP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])NC2CC2)CCC[N@H+]1C ZINC000262116174 328145131 /nfs/dbraw/zinc/14/51/31/328145131.db2.gz LDTRELNXYBOMKM-SMDDNHRTSA-N 2 1 290.415 0.870 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CCn2ccnc2C1 ZINC000262471198 330015542 /nfs/dbraw/zinc/01/55/42/330015542.db2.gz OGSRZZJPPRMMTA-STQMWFEESA-N 2 1 290.415 0.587 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000262487396 330017152 /nfs/dbraw/zinc/01/71/52/330017152.db2.gz VBJLFXFXRTXCLE-UWVGGRQHSA-N 2 1 251.334 0.137 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@H]1CCN(C2CC2)C1 ZINC000262821976 330034231 /nfs/dbraw/zinc/03/42/31/330034231.db2.gz SRQRYPNZAIZONC-KBPBESRZSA-N 2 1 293.459 0.730 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000262821976 330034233 /nfs/dbraw/zinc/03/42/33/330034233.db2.gz SRQRYPNZAIZONC-KBPBESRZSA-N 3 1 293.459 0.730 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000262821976 330034235 /nfs/dbraw/zinc/03/42/35/330034235.db2.gz SRQRYPNZAIZONC-KBPBESRZSA-N 3 1 293.459 0.730 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262821976 330034236 /nfs/dbraw/zinc/03/42/36/330034236.db2.gz SRQRYPNZAIZONC-KBPBESRZSA-N 3 1 293.459 0.730 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CC[NH+](C)C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262821976 330034237 /nfs/dbraw/zinc/03/42/37/330034237.db2.gz SRQRYPNZAIZONC-KBPBESRZSA-N 3 1 293.459 0.730 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000490575304 332093121 /nfs/dbraw/zinc/09/31/21/332093121.db2.gz QTCPRLKLDFJKHH-UHFFFAOYSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+](CC)C(C)C ZINC000491252922 332174848 /nfs/dbraw/zinc/17/48/48/332174848.db2.gz KJXXGHSFMJWZIS-UHFFFAOYSA-N 2 1 282.432 0.971 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+](CC)C(C)C ZINC000491252922 332174849 /nfs/dbraw/zinc/17/48/49/332174849.db2.gz KJXXGHSFMJWZIS-UHFFFAOYSA-N 2 1 282.432 0.971 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+](CC)C(C)C ZINC000491252922 332174850 /nfs/dbraw/zinc/17/48/50/332174850.db2.gz KJXXGHSFMJWZIS-UHFFFAOYSA-N 2 1 282.432 0.971 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)CCC[NH3+] ZINC000491652359 332265291 /nfs/dbraw/zinc/26/52/91/332265291.db2.gz AVDZBDXYUVAUAX-GFCCVEGCSA-N 2 1 254.378 0.368 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000491743671 332321854 /nfs/dbraw/zinc/32/18/54/332321854.db2.gz MQJXBDGSWXNDIV-UHFFFAOYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C[NH3+])CCCC ZINC000491745173 332323126 /nfs/dbraw/zinc/32/31/26/332323126.db2.gz NBOVAGXCXKYDHZ-CYBMUJFWSA-N 2 1 268.405 0.758 20 30 CCEDMP C=C(C)[C@H](CO)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000677221229 545361160 /nfs/dbraw/zinc/36/11/60/545361160.db2.gz HRMPNJZWERWUCG-AWEZNQCLSA-N 2 1 257.422 0.739 20 30 CCEDMP OC[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@@H]1CO ZINC000792863476 581274403 /nfs/dbraw/zinc/27/44/03/581274403.db2.gz WKXSGUAGAQPGQP-HZPDHXFCSA-N 2 1 280.412 0.683 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000730282689 581690884 /nfs/dbraw/zinc/69/08/84/581690884.db2.gz PEBNGKPOGYYXJC-OCCSQVGLSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000730282689 581690886 /nfs/dbraw/zinc/69/08/86/581690886.db2.gz PEBNGKPOGYYXJC-OCCSQVGLSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000730282689 581690887 /nfs/dbraw/zinc/69/08/87/581690887.db2.gz PEBNGKPOGYYXJC-OCCSQVGLSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000730282689 581690889 /nfs/dbraw/zinc/69/08/89/581690889.db2.gz PEBNGKPOGYYXJC-OCCSQVGLSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741721214 581760924 /nfs/dbraw/zinc/76/09/24/581760924.db2.gz HIYBOXQEWNTHRV-IHRRRGAJSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741721214 581760926 /nfs/dbraw/zinc/76/09/26/581760926.db2.gz HIYBOXQEWNTHRV-IHRRRGAJSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741721214 581760930 /nfs/dbraw/zinc/76/09/30/581760930.db2.gz HIYBOXQEWNTHRV-IHRRRGAJSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741721214 581760931 /nfs/dbraw/zinc/76/09/31/581760931.db2.gz HIYBOXQEWNTHRV-IHRRRGAJSA-N 2 1 263.385 0.683 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCCCn1cc[nH+]c1C ZINC000773853702 581944511 /nfs/dbraw/zinc/94/45/11/581944511.db2.gz XSQUCBUFZZLOOY-UHFFFAOYSA-N 2 1 250.346 0.816 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000774106023 581959671 /nfs/dbraw/zinc/95/96/71/581959671.db2.gz ZBFQEWYGHGALLX-ZDUSSCGKSA-N 2 1 283.416 0.408 20 30 CCEDMP C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000863589331 613022861 /nfs/dbraw/zinc/02/28/61/613022861.db2.gz MUILQKAVRKGOHC-GXTWGEPZSA-N 2 1 254.374 0.460 20 30 CCEDMP C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000863589331 613022862 /nfs/dbraw/zinc/02/28/62/613022862.db2.gz MUILQKAVRKGOHC-GXTWGEPZSA-N 2 1 254.374 0.460 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000895057111 613074144 /nfs/dbraw/zinc/07/41/44/613074144.db2.gz RRJJGVQXSJWFSP-KGLIPLIRSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000895057111 613074145 /nfs/dbraw/zinc/07/41/45/613074145.db2.gz RRJJGVQXSJWFSP-KGLIPLIRSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000895057111 613074146 /nfs/dbraw/zinc/07/41/46/613074146.db2.gz RRJJGVQXSJWFSP-KGLIPLIRSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000895057113 613074562 /nfs/dbraw/zinc/07/45/62/613074562.db2.gz RRJJGVQXSJWFSP-ZIAGYGMSSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000895057113 613074564 /nfs/dbraw/zinc/07/45/64/613074564.db2.gz RRJJGVQXSJWFSP-ZIAGYGMSSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000895057113 613074566 /nfs/dbraw/zinc/07/45/66/613074566.db2.gz RRJJGVQXSJWFSP-ZIAGYGMSSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000981229587 612957269 /nfs/dbraw/zinc/95/72/69/612957269.db2.gz YVTZUTPPVFWIAD-ZIAGYGMSSA-N 2 1 274.368 0.842 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000876739023 613387996 /nfs/dbraw/zinc/38/79/96/613387996.db2.gz BKSHDFQTCDTICF-WDEREUQCSA-N 2 1 259.781 0.914 20 30 CCEDMP C#CCOCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000851883760 612984680 /nfs/dbraw/zinc/98/46/80/612984680.db2.gz XMJZXYUAPPYBDH-HOTGVXAUSA-N 2 1 279.428 0.594 20 30 CCEDMP C#CC[C@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000895490812 613058641 /nfs/dbraw/zinc/05/86/41/613058641.db2.gz SXXOYKLOFCAUDG-CABCVRRESA-N 2 1 266.385 0.604 20 30 CCEDMP C#CC[C@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872213913 613058659 /nfs/dbraw/zinc/05/86/59/613058659.db2.gz HWVPZBKLPCNERI-IAGOWNOFSA-N 2 1 288.391 0.597 20 30 CCEDMP C#CC[C@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872213913 613058660 /nfs/dbraw/zinc/05/86/60/613058660.db2.gz HWVPZBKLPCNERI-IAGOWNOFSA-N 2 1 288.391 0.597 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000838622816 613074369 /nfs/dbraw/zinc/07/43/69/613074369.db2.gz PAVYHNULTJUGDO-OAHLLOKOSA-N 2 1 290.411 0.597 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969975964 613122725 /nfs/dbraw/zinc/12/27/25/613122725.db2.gz OFIMUWOSEVRTQS-JSGCOSHPSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000969975964 613122727 /nfs/dbraw/zinc/12/27/27/613122727.db2.gz OFIMUWOSEVRTQS-JSGCOSHPSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC#C)CC1 ZINC000962769203 613132038 /nfs/dbraw/zinc/13/20/38/613132038.db2.gz DRVQFWSDKQBKQM-ZSHCYNCHSA-N 2 1 285.391 0.011 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](CC)C2CC2)C1 ZINC000923566516 613165798 /nfs/dbraw/zinc/16/57/98/613165798.db2.gz OAOVVHHKBHMHCR-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](CC)C2CC2)C1 ZINC000923566516 613165799 /nfs/dbraw/zinc/16/57/99/613165799.db2.gz OAOVVHHKBHMHCR-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](CC)C2CC2)C1 ZINC000923566516 613165800 /nfs/dbraw/zinc/16/58/00/613165800.db2.gz OAOVVHHKBHMHCR-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](CC)C2CC2)C1 ZINC000923566516 613165801 /nfs/dbraw/zinc/16/58/01/613165801.db2.gz OAOVVHHKBHMHCR-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000888169339 613168103 /nfs/dbraw/zinc/16/81/03/613168103.db2.gz GWKDGZRBOYMBHC-OAHLLOKOSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000888169339 613168105 /nfs/dbraw/zinc/16/81/05/613168105.db2.gz GWKDGZRBOYMBHC-OAHLLOKOSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000923596085 613182456 /nfs/dbraw/zinc/18/24/56/613182456.db2.gz ZGEAZKQMTSWEGR-GOEBONIOSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000923596085 613182457 /nfs/dbraw/zinc/18/24/57/613182457.db2.gz ZGEAZKQMTSWEGR-GOEBONIOSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000923596085 613182458 /nfs/dbraw/zinc/18/24/58/613182458.db2.gz ZGEAZKQMTSWEGR-GOEBONIOSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000923596085 613182459 /nfs/dbraw/zinc/18/24/59/613182459.db2.gz ZGEAZKQMTSWEGR-GOEBONIOSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000884202763 613186969 /nfs/dbraw/zinc/18/69/69/613186969.db2.gz HQVLHEXDMDXIEF-KBPBESRZSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000884202763 613186970 /nfs/dbraw/zinc/18/69/70/613186970.db2.gz HQVLHEXDMDXIEF-KBPBESRZSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC=C)C[C@H]21 ZINC000978280787 613200192 /nfs/dbraw/zinc/20/01/92/613200192.db2.gz KJJBVXRZSGTSMI-JONQDZQNSA-N 2 1 287.407 0.564 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC=C)C[C@H]21 ZINC000978280787 613200193 /nfs/dbraw/zinc/20/01/93/613200193.db2.gz KJJBVXRZSGTSMI-JONQDZQNSA-N 2 1 287.407 0.564 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC=C)C[C@H]21 ZINC000978280787 613200194 /nfs/dbraw/zinc/20/01/94/613200194.db2.gz KJJBVXRZSGTSMI-JONQDZQNSA-N 2 1 287.407 0.564 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC=C)C[C@H]21 ZINC000978280787 613200196 /nfs/dbraw/zinc/20/01/96/613200196.db2.gz KJJBVXRZSGTSMI-JONQDZQNSA-N 2 1 287.407 0.564 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048331 613280799 /nfs/dbraw/zinc/28/07/99/613280799.db2.gz HDAMOHUVWAVKAV-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048331 613280800 /nfs/dbraw/zinc/28/08/00/613280800.db2.gz HDAMOHUVWAVKAV-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048331 613280801 /nfs/dbraw/zinc/28/08/01/613280801.db2.gz HDAMOHUVWAVKAV-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048331 613280802 /nfs/dbraw/zinc/28/08/02/613280802.db2.gz HDAMOHUVWAVKAV-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC000979080601 613308102 /nfs/dbraw/zinc/30/81/02/613308102.db2.gz SDWYRVRHUQHCCC-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979080601 613308104 /nfs/dbraw/zinc/30/81/04/613308104.db2.gz SDWYRVRHUQHCCC-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979080601 613308106 /nfs/dbraw/zinc/30/81/06/613308106.db2.gz SDWYRVRHUQHCCC-JONQDZQNSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000961467446 613313140 /nfs/dbraw/zinc/31/31/40/613313140.db2.gz UQTMITULIDBFQQ-WDNDVIMCSA-N 2 1 275.396 0.540 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962552979 613344389 /nfs/dbraw/zinc/34/43/89/613344389.db2.gz FPDFRURSFJQMIG-NHAGDIPZSA-N 2 1 263.385 0.705 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H]2CC[N@H+](CC)C[C@@H]21 ZINC000908418374 613364194 /nfs/dbraw/zinc/36/41/94/613364194.db2.gz MXUQXTALIKTVRS-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@H+](C)CCOC ZINC000900517786 613364743 /nfs/dbraw/zinc/36/47/43/613364743.db2.gz MNSYLQQEOPPZFA-UHFFFAOYSA-N 2 1 257.378 0.189 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000900061296 613365066 /nfs/dbraw/zinc/36/50/66/613365066.db2.gz TVKVUNUMSNRIBE-OAHLLOKOSA-N 2 1 297.443 0.967 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900808018 613365504 /nfs/dbraw/zinc/36/55/04/613365504.db2.gz XXZPUJMNZPIZKA-KGLIPLIRSA-N 2 1 282.432 0.245 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000837132585 613366404 /nfs/dbraw/zinc/36/64/04/613366404.db2.gz ABIDCEYQKIJHKE-UHFFFAOYSA-N 2 1 296.459 0.637 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000838150739 613366586 /nfs/dbraw/zinc/36/65/86/613366586.db2.gz XLKALEDJPIBCCA-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[C@@H](C(=O)OC)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931479102 613396801 /nfs/dbraw/zinc/39/68/01/613396801.db2.gz KDCSXRRQIHGGQN-LBPRGKRZSA-N 2 1 270.373 0.493 20 30 CCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970876222 613486087 /nfs/dbraw/zinc/48/60/87/613486087.db2.gz DFQNMECQIODMGU-STQMWFEESA-N 2 1 265.401 0.951 20 30 CCEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970876061 613536814 /nfs/dbraw/zinc/53/68/14/613536814.db2.gz BTGXIVCIYXPGLJ-STQMWFEESA-N 2 1 263.385 0.398 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969703264 613662383 /nfs/dbraw/zinc/66/23/83/613662383.db2.gz FWJOGHQMSKIGRG-YRGRVCCFSA-N 2 1 265.401 0.949 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900597940 613675220 /nfs/dbraw/zinc/67/52/20/613675220.db2.gz CNNDFNKHPKIWNA-MRXNPFEDSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977614444 613827475 /nfs/dbraw/zinc/82/74/75/613827475.db2.gz LFYDHZAGNABWKG-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977614444 613827476 /nfs/dbraw/zinc/82/74/76/613827476.db2.gz LFYDHZAGNABWKG-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614444 613827477 /nfs/dbraw/zinc/82/74/77/613827477.db2.gz LFYDHZAGNABWKG-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977614444 613827478 /nfs/dbraw/zinc/82/74/78/613827478.db2.gz LFYDHZAGNABWKG-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000969704852 613864664 /nfs/dbraw/zinc/86/46/64/613864664.db2.gz HSPJORSFNUUCBM-KGLIPLIRSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000969704852 613864665 /nfs/dbraw/zinc/86/46/65/613864665.db2.gz HSPJORSFNUUCBM-KGLIPLIRSA-N 2 1 281.400 0.472 20 30 CCEDMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834484496 614906110 /nfs/dbraw/zinc/90/61/10/614906110.db2.gz JQRAMWRCXDNDMZ-QWHCGFSZSA-N 2 1 266.389 0.726 20 30 CCEDMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843459978 615779881 /nfs/dbraw/zinc/77/98/81/615779881.db2.gz JXVQVGSFPVVAQJ-WOPDTQHZSA-N 2 1 275.356 0.624 20 30 CCEDMP C[N@@H+](CCc1cccc(C#N)c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923415402 616124850 /nfs/dbraw/zinc/12/48/50/616124850.db2.gz GUEQTXUCQQENRQ-KKUMJFAQSA-N 2 1 259.353 0.883 20 30 CCEDMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000878886294 616173126 /nfs/dbraw/zinc/17/31/26/616173126.db2.gz FHVFGZGNKWXBRE-ZDUSSCGKSA-N 2 1 278.400 0.822 20 30 CCEDMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000878886294 616173127 /nfs/dbraw/zinc/17/31/27/616173127.db2.gz FHVFGZGNKWXBRE-ZDUSSCGKSA-N 2 1 278.400 0.822 20 30 CCEDMP C[N@H+]1CCC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852863321 616187929 /nfs/dbraw/zinc/18/79/29/616187929.db2.gz MLQZKQTYIHTBPP-AWEZNQCLSA-N 2 1 263.385 0.447 20 30 CCEDMP C[N@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CCC1(C)C ZINC000877206729 616220182 /nfs/dbraw/zinc/22/01/82/616220182.db2.gz NZXCGAINSHNTMG-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023083821 622901946 /nfs/dbraw/zinc/90/19/46/622901946.db2.gz AKIGWUKIJXZKHT-RWMBFGLXSA-N 2 1 251.374 0.751 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C(=O)NC ZINC000157369531 622970583 /nfs/dbraw/zinc/97/05/83/622970583.db2.gz BPMCSHZZKZFJNA-NSHDSACASA-N 2 1 283.420 0.147 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703407 623107150 /nfs/dbraw/zinc/10/71/50/623107150.db2.gz JPVWOCGAUVIDSG-HNNXBMFYSA-N 2 1 289.423 0.934 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023750010 623126667 /nfs/dbraw/zinc/12/66/67/623126667.db2.gz FCGSMJONJOCHFE-GJZGRUSLSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023750010 623126679 /nfs/dbraw/zinc/12/66/79/623126679.db2.gz FCGSMJONJOCHFE-GJZGRUSLSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023750010 623126684 /nfs/dbraw/zinc/12/66/84/623126684.db2.gz FCGSMJONJOCHFE-GJZGRUSLSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023750011 623127980 /nfs/dbraw/zinc/12/79/80/623127980.db2.gz FCGSMJONJOCHFE-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023750011 623127984 /nfs/dbraw/zinc/12/79/84/623127984.db2.gz FCGSMJONJOCHFE-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023750011 623127996 /nfs/dbraw/zinc/12/79/96/623127996.db2.gz FCGSMJONJOCHFE-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001024803409 623447285 /nfs/dbraw/zinc/44/72/85/623447285.db2.gz HUDCQFUJGVIBNZ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001024803409 623447293 /nfs/dbraw/zinc/44/72/93/623447293.db2.gz HUDCQFUJGVIBNZ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024803409 623447309 /nfs/dbraw/zinc/44/73/09/623447309.db2.gz HUDCQFUJGVIBNZ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020589977 624544340 /nfs/dbraw/zinc/54/43/40/624544340.db2.gz JCGNXJUOXORPKJ-XDQVBPFNSA-N 2 1 265.401 0.997 20 30 CCEDMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261872720 624836017 /nfs/dbraw/zinc/83/60/17/624836017.db2.gz PGWGYOOYFLAYSZ-CHWSQXEVSA-N 2 1 268.405 0.944 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989670486 633342729 /nfs/dbraw/zinc/34/27/29/633342729.db2.gz YIQIVUIXXIHJKZ-UHFFFAOYSA-N 2 1 263.385 0.640 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001008539631 650119456 /nfs/dbraw/zinc/11/94/56/650119456.db2.gz LREHTCGUTKXHBA-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008539631 650119458 /nfs/dbraw/zinc/11/94/58/650119458.db2.gz LREHTCGUTKXHBA-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008539631 650119460 /nfs/dbraw/zinc/11/94/60/650119460.db2.gz LREHTCGUTKXHBA-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009510971 650146465 /nfs/dbraw/zinc/14/64/65/650146465.db2.gz UWYZICFOUZDZMA-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009510971 650146468 /nfs/dbraw/zinc/14/64/68/650146468.db2.gz UWYZICFOUZDZMA-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001009510971 650146469 /nfs/dbraw/zinc/14/64/69/650146469.db2.gz UWYZICFOUZDZMA-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009510971 650146472 /nfs/dbraw/zinc/14/64/72/650146472.db2.gz UWYZICFOUZDZMA-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010427977 650224329 /nfs/dbraw/zinc/22/43/29/650224329.db2.gz NZGOFPLDAGNZSE-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010427977 650224333 /nfs/dbraw/zinc/22/43/33/650224333.db2.gz NZGOFPLDAGNZSE-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010427977 650224335 /nfs/dbraw/zinc/22/43/35/650224335.db2.gz NZGOFPLDAGNZSE-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010427977 650224340 /nfs/dbraw/zinc/22/43/40/650224340.db2.gz NZGOFPLDAGNZSE-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C[C@H]1C[C@@H](C(=O)NCC#CC[NH+](C)C)CC[N@H+]1C ZINC000913521657 636835774 /nfs/dbraw/zinc/83/57/74/636835774.db2.gz IOOZBKVCPHJQME-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCCOC1 ZINC000170908608 637104176 /nfs/dbraw/zinc/10/41/76/637104176.db2.gz KJNSGDGELGDAJD-ZDUSSCGKSA-N 2 1 284.404 0.040 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995961189 638806481 /nfs/dbraw/zinc/80/64/81/638806481.db2.gz WXDGIGJVGVEAHX-MGPQQGTHSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995961189 638806482 /nfs/dbraw/zinc/80/64/82/638806482.db2.gz WXDGIGJVGVEAHX-MGPQQGTHSA-N 2 1 295.427 0.718 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996301451 638815064 /nfs/dbraw/zinc/81/50/64/638815064.db2.gz SYCPLYHPMHGFAO-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996516910 638821427 /nfs/dbraw/zinc/82/14/27/638821427.db2.gz CIYCSKMLBOBEAY-KBPBESRZSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014456126 650452755 /nfs/dbraw/zinc/45/27/55/650452755.db2.gz NIFCFUQVBQKHAS-HUUCEWRRSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCF)C1 ZINC000998927794 638950014 /nfs/dbraw/zinc/95/00/14/638950014.db2.gz JQZUSJWAEMJZCA-RUXDESIVSA-N 2 1 281.375 0.633 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCF)C1 ZINC000998927794 638950015 /nfs/dbraw/zinc/95/00/15/638950015.db2.gz JQZUSJWAEMJZCA-RUXDESIVSA-N 2 1 281.375 0.633 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC000999125128 638962627 /nfs/dbraw/zinc/96/26/27/638962627.db2.gz HBWDLBXZOAMCMY-UHFFFAOYSA-N 2 1 262.357 0.957 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000999372867 638976787 /nfs/dbraw/zinc/97/67/87/638976787.db2.gz PGHFJVHRZRBIRM-ZIAGYGMSSA-N 2 1 286.379 0.974 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999365688 638977928 /nfs/dbraw/zinc/97/79/28/638977928.db2.gz RHUQVKSAPUOTOL-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000999834187 639006768 /nfs/dbraw/zinc/00/67/68/639006768.db2.gz UCIZDFKYKBWANO-UHFFFAOYSA-N 2 1 262.357 0.957 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001000019531 639035846 /nfs/dbraw/zinc/03/58/46/639035846.db2.gz GMHLDASHMGVQRK-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001000685762 639151584 /nfs/dbraw/zinc/15/15/84/639151584.db2.gz AHKSDDLTZSZBNM-INIZCTEOSA-N 2 1 287.407 0.710 20 30 CCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001001277334 639272985 /nfs/dbraw/zinc/27/29/85/639272985.db2.gz BACTUBIISDWYMI-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001001277334 639272991 /nfs/dbraw/zinc/27/29/91/639272991.db2.gz BACTUBIISDWYMI-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003629471 639580230 /nfs/dbraw/zinc/58/02/30/639580230.db2.gz BFAHGWNJKKBUJF-TZMCWYRMSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015060857 650522508 /nfs/dbraw/zinc/52/25/08/650522508.db2.gz UECRYPZJOLZQEK-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001015060857 650522510 /nfs/dbraw/zinc/52/25/10/650522510.db2.gz UECRYPZJOLZQEK-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060857 650522512 /nfs/dbraw/zinc/52/25/12/650522512.db2.gz UECRYPZJOLZQEK-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060857 650522515 /nfs/dbraw/zinc/52/25/15/650522515.db2.gz UECRYPZJOLZQEK-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP CC1(C)CC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)O1 ZINC000186887702 639849539 /nfs/dbraw/zinc/84/95/39/639849539.db2.gz WDMNVTRDOSDQHC-CYBMUJFWSA-N 2 1 298.431 0.571 20 30 CCEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000923410542 640128150 /nfs/dbraw/zinc/12/81/50/640128150.db2.gz HNYMKBIIHJNNCE-VHDGCEQUSA-N 2 1 289.379 0.825 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015822387 650635287 /nfs/dbraw/zinc/63/52/87/650635287.db2.gz HVHXHDZJMGSMAZ-CQSZACIVSA-N 2 1 291.399 0.435 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000852890648 644045014 /nfs/dbraw/zinc/04/50/14/644045014.db2.gz KLYCBZOZYROKOW-MRXNPFEDSA-N 2 1 298.390 0.558 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020179058 651047179 /nfs/dbraw/zinc/04/71/79/651047179.db2.gz MLHZKJVZWIRHCD-TUVASFSCSA-N 2 1 293.411 0.663 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001020288702 651056276 /nfs/dbraw/zinc/05/62/76/651056276.db2.gz HLIXXNIZMDQJIW-TUVASFSCSA-N 2 1 275.396 0.873 20 30 CCEDMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])N1CCOCC1 ZINC000303788019 649825094 /nfs/dbraw/zinc/82/50/94/649825094.db2.gz TUZSMBOGKQOJEX-CYBMUJFWSA-N 2 1 268.405 0.898 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)C(C)C ZINC000303790813 649825205 /nfs/dbraw/zinc/82/52/05/649825205.db2.gz WWSLEFJQWQVVMR-GFCCVEGCSA-N 2 1 283.420 0.147 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000303781948 649825246 /nfs/dbraw/zinc/82/52/46/649825246.db2.gz MSXBBAVVJLRKPO-CQSZACIVSA-N 3 1 281.448 0.861 20 30 CCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCCCC1 ZINC000303781948 649825248 /nfs/dbraw/zinc/82/52/48/649825248.db2.gz MSXBBAVVJLRKPO-CQSZACIVSA-N 2 1 281.448 0.861 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCCCC1 ZINC000303781948 649825249 /nfs/dbraw/zinc/82/52/49/649825249.db2.gz MSXBBAVVJLRKPO-CQSZACIVSA-N 2 1 281.448 0.861 20 30 CCEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])NCC2CCC2)CC1 ZINC000303877565 649826245 /nfs/dbraw/zinc/82/62/45/649826245.db2.gz IROQAHJIEWIQFM-AWEZNQCLSA-N 2 1 295.475 0.964 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCOCC ZINC001266284745 790403748 /nfs/dbraw/zinc/40/37/48/790403748.db2.gz KBGNTJYBMJACFS-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCOCC ZINC001266284745 790403750 /nfs/dbraw/zinc/40/37/50/790403750.db2.gz KBGNTJYBMJACFS-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCOCC ZINC001266284745 790403752 /nfs/dbraw/zinc/40/37/52/790403752.db2.gz KBGNTJYBMJACFS-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCOCC ZINC001266284745 790403756 /nfs/dbraw/zinc/40/37/56/790403756.db2.gz KBGNTJYBMJACFS-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266306136 790478216 /nfs/dbraw/zinc/47/82/16/790478216.db2.gz DZGCZGGAFHOAIV-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001266422359 790669323 /nfs/dbraw/zinc/66/93/23/790669323.db2.gz YZLAHYUZEWKZBY-AWEZNQCLSA-N 2 1 274.368 0.699 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCC)C1 ZINC001266532036 790882749 /nfs/dbraw/zinc/88/27/49/790882749.db2.gz RFEKVNJWIGYCEG-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCC)C1 ZINC001266532036 790882761 /nfs/dbraw/zinc/88/27/61/790882761.db2.gz RFEKVNJWIGYCEG-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001266533691 790885563 /nfs/dbraw/zinc/88/55/63/790885563.db2.gz OHDWLAFOYOEGKT-UONOGXRCSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001266533691 790885575 /nfs/dbraw/zinc/88/55/75/790885575.db2.gz OHDWLAFOYOEGKT-UONOGXRCSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001266533691 790885579 /nfs/dbraw/zinc/88/55/79/790885579.db2.gz OHDWLAFOYOEGKT-UONOGXRCSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001267106071 791547660 /nfs/dbraw/zinc/54/76/60/791547660.db2.gz QGNVOTPJOSDSBA-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001267106071 791547665 /nfs/dbraw/zinc/54/76/65/791547665.db2.gz QGNVOTPJOSDSBA-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267114354 791555560 /nfs/dbraw/zinc/55/55/60/791555560.db2.gz DBGVJDQJCJXOPC-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267114354 791555567 /nfs/dbraw/zinc/55/55/67/791555567.db2.gz DBGVJDQJCJXOPC-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267114354 791555574 /nfs/dbraw/zinc/55/55/74/791555574.db2.gz DBGVJDQJCJXOPC-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001278427467 807132917 /nfs/dbraw/zinc/13/29/17/807132917.db2.gz UXOXSOLEGOROGD-INIZCTEOSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCCCC[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235870038 806511995 /nfs/dbraw/zinc/51/19/95/806511995.db2.gz MSHHCWIKYXKKGG-UHFFFAOYSA-N 2 1 254.422 0.427 20 30 CCEDMP N#Cc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235999619 806526686 /nfs/dbraw/zinc/52/66/86/806526686.db2.gz KOZHEYHYXNCKKI-NNQSOWQGSA-N 2 1 273.336 0.669 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235999619 806526688 /nfs/dbraw/zinc/52/66/88/806526688.db2.gz KOZHEYHYXNCKKI-NNQSOWQGSA-N 2 1 273.336 0.669 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001120511023 798841099 /nfs/dbraw/zinc/84/10/99/798841099.db2.gz CMJHJFKHKZDWEY-YPMHNXCESA-N 2 1 260.341 0.842 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CCC)C2)C1 ZINC001122107061 799145374 /nfs/dbraw/zinc/14/53/74/799145374.db2.gz ZFOZSXLQRRVMGR-UHFFFAOYSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149981558 800310881 /nfs/dbraw/zinc/31/08/81/800310881.db2.gz ASFKFOPXZNEFJW-AWEZNQCLSA-N 2 1 292.383 0.585 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149981558 800310888 /nfs/dbraw/zinc/31/08/88/800310888.db2.gz ASFKFOPXZNEFJW-AWEZNQCLSA-N 2 1 292.383 0.585 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242340 800326713 /nfs/dbraw/zinc/32/67/13/800326713.db2.gz WAOMBAIQSSQSDF-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCOC ZINC001153867936 800682381 /nfs/dbraw/zinc/68/23/81/800682381.db2.gz IAYLDQBDDRGLIO-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCOC ZINC001153867936 800682383 /nfs/dbraw/zinc/68/23/83/800682383.db2.gz IAYLDQBDDRGLIO-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCOC ZINC001153867936 800682387 /nfs/dbraw/zinc/68/23/87/800682387.db2.gz IAYLDQBDDRGLIO-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCOC ZINC001153867936 800682391 /nfs/dbraw/zinc/68/23/91/800682391.db2.gz IAYLDQBDDRGLIO-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157013892 801287870 /nfs/dbraw/zinc/28/78/70/801287870.db2.gz OZLRIXKPOXZHAQ-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157013892 801287874 /nfs/dbraw/zinc/28/78/74/801287874.db2.gz OZLRIXKPOXZHAQ-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001157013892 801287878 /nfs/dbraw/zinc/28/78/78/801287878.db2.gz OZLRIXKPOXZHAQ-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001157013892 801287883 /nfs/dbraw/zinc/28/78/83/801287883.db2.gz OZLRIXKPOXZHAQ-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158036295 801557284 /nfs/dbraw/zinc/55/72/84/801557284.db2.gz BOEXDFIBAIIDLU-HUUCEWRRSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001160209495 801919678 /nfs/dbraw/zinc/91/96/78/801919678.db2.gz MVSITUNNTZYYNS-GJZGRUSLSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001160209495 801919682 /nfs/dbraw/zinc/91/96/82/801919682.db2.gz MVSITUNNTZYYNS-GJZGRUSLSA-N 2 1 293.411 0.216 20 30 CCEDMP N#Cc1c[nH]c2ncnc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)c12 ZINC001160509041 801953499 /nfs/dbraw/zinc/95/34/99/801953499.db2.gz MHCURDSCLXIWJS-HNNXBMFYSA-N 2 1 297.366 0.665 20 30 CCEDMP COc1cc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)ncc1C#N ZINC001160509561 801953816 /nfs/dbraw/zinc/95/38/16/801953816.db2.gz WBWUWOGLZRTOOH-HNNXBMFYSA-N 2 1 287.367 0.797 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164536345 802758559 /nfs/dbraw/zinc/75/85/59/802758559.db2.gz RHTVOPCMKRKRRM-CQSZACIVSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001165272431 802809349 /nfs/dbraw/zinc/80/93/49/802809349.db2.gz USBIJVNWTHRCNA-CYBMUJFWSA-N 2 1 274.368 0.483 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166677867 802937394 /nfs/dbraw/zinc/93/73/94/802937394.db2.gz OXNNCUDPARQTMS-AWEZNQCLSA-N 2 1 281.400 0.074 20 30 CCEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001203815047 803046786 /nfs/dbraw/zinc/04/67/86/803046786.db2.gz KFONYGZJINDIKS-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203815047 803046790 /nfs/dbraw/zinc/04/67/90/803046790.db2.gz KFONYGZJINDIKS-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001204799490 803101837 /nfs/dbraw/zinc/10/18/37/803101837.db2.gz YFJREQOUTYXOBJ-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210145058 803639686 /nfs/dbraw/zinc/63/96/86/803639686.db2.gz DGZYWOCKYHHMSP-OAHLLOKOSA-N 2 1 293.411 0.313 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929802 803706721 /nfs/dbraw/zinc/70/67/21/803706721.db2.gz LSCPJEXVENKRFU-ZIAGYGMSSA-N 2 1 283.416 0.718 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929802 803706724 /nfs/dbraw/zinc/70/67/24/803706724.db2.gz LSCPJEXVENKRFU-ZIAGYGMSSA-N 2 1 283.416 0.718 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929802 803706725 /nfs/dbraw/zinc/70/67/25/803706725.db2.gz LSCPJEXVENKRFU-ZIAGYGMSSA-N 2 1 283.416 0.718 20 30 CCEDMP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000402198569 803816526 /nfs/dbraw/zinc/81/65/26/803816526.db2.gz IFRMLFZZHPLWOP-CQSZACIVSA-N 2 1 275.352 0.721 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216750075 803852705 /nfs/dbraw/zinc/85/27/05/803852705.db2.gz NVDBAVSWLSXBMO-HZSPNIEDSA-N 2 1 263.385 0.398 20 30 CCEDMP CCc1nc2c(c(O[C@@H]3CNC[C@H]3C#N)n1)CNC2 ZINC001218203349 803936261 /nfs/dbraw/zinc/93/62/61/803936261.db2.gz QDXHHAUVFIJDKW-LDYMZIIASA-N 2 1 259.313 0.133 20 30 CCEDMP N#Cc1c2c(sc1NC(=O)C[NH2+]CCC[NH3+])C[NH2+]CC2 ZINC001218552889 804001780 /nfs/dbraw/zinc/00/17/80/804001780.db2.gz LPKCONZCOIJLSI-UHFFFAOYSA-N 3 1 293.396 0.142 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219847936 804431235 /nfs/dbraw/zinc/43/12/35/804431235.db2.gz CORCMIAOWBIDOL-ILXRZTDVSA-N 2 1 297.443 0.700 20 30 CCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001220977827 804712877 /nfs/dbraw/zinc/71/28/77/804712877.db2.gz DGPMVFYFLFJJMA-ZNMIVQPWSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220977827 804712883 /nfs/dbraw/zinc/71/28/83/804712883.db2.gz DGPMVFYFLFJJMA-ZNMIVQPWSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220977827 804712891 /nfs/dbraw/zinc/71/28/91/804712891.db2.gz DGPMVFYFLFJJMA-ZNMIVQPWSA-N 2 1 295.427 0.598 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001224855998 805085994 /nfs/dbraw/zinc/08/59/94/805085994.db2.gz WQKMEAIUODCDFO-UHFFFAOYSA-N 2 1 293.411 0.170 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)C(F)(F)F ZINC001246003685 807112037 /nfs/dbraw/zinc/11/20/37/807112037.db2.gz URSQBQQBABDUOU-VHSXEESVSA-N 2 1 298.305 0.726 20 30 CCEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246486198 807261529 /nfs/dbraw/zinc/26/15/29/807261529.db2.gz DOUGZLARAYAPSQ-DOMZBBRYSA-N 2 1 258.369 0.640 20 30 CCEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246567983 807294513 /nfs/dbraw/zinc/29/45/13/807294513.db2.gz NJZWGSPSAOGVQX-KCPJHIHWSA-N 2 1 259.353 0.883 20 30 CCEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246567983 807294519 /nfs/dbraw/zinc/29/45/19/807294519.db2.gz NJZWGSPSAOGVQX-KCPJHIHWSA-N 2 1 259.353 0.883 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001278803924 808274736 /nfs/dbraw/zinc/27/47/36/808274736.db2.gz JJPOHJXXQZJEAP-KGLIPLIRSA-N 2 1 283.416 0.313 20 30 CCEDMP C=CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001278882650 808425327 /nfs/dbraw/zinc/42/53/27/808425327.db2.gz LDFIUVQNQIBQEU-CABCVRRESA-N 2 1 297.443 0.655 20 30 CCEDMP C=CCCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278882650 808425332 /nfs/dbraw/zinc/42/53/32/808425332.db2.gz LDFIUVQNQIBQEU-CABCVRRESA-N 2 1 297.443 0.655 20 30 CCEDMP C=CCCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001278882650 808425339 /nfs/dbraw/zinc/42/53/39/808425339.db2.gz LDFIUVQNQIBQEU-CABCVRRESA-N 2 1 297.443 0.655 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076204166 815258540 /nfs/dbraw/zinc/25/85/40/815258540.db2.gz VGYHYZNQGBGBJQ-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001076397483 815288171 /nfs/dbraw/zinc/28/81/71/815288171.db2.gz PDCOFOSJSWBODC-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001076462436 815300066 /nfs/dbraw/zinc/30/00/66/815300066.db2.gz UUWRTKVRTIYUGF-DZGCQCFKSA-N 2 1 286.379 0.519 20 30 CCEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001263848500 809586951 /nfs/dbraw/zinc/58/69/51/809586951.db2.gz VIOBJMYKLJKNAI-GASCZTMLSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001264393517 809649994 /nfs/dbraw/zinc/64/99/94/809649994.db2.gz BCFBHCBNDMSJRK-ZNMIVQPWSA-N 2 1 295.402 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCF)C1 ZINC001264393517 809650000 /nfs/dbraw/zinc/65/00/00/809650000.db2.gz BCFBHCBNDMSJRK-ZNMIVQPWSA-N 2 1 295.402 0.928 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076567802 815311969 /nfs/dbraw/zinc/31/19/69/815311969.db2.gz JEDCDITZNYPMRA-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076567802 815311976 /nfs/dbraw/zinc/31/19/76/815311976.db2.gz JEDCDITZNYPMRA-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076567802 815311981 /nfs/dbraw/zinc/31/19/81/815311981.db2.gz JEDCDITZNYPMRA-RRFJBIMHSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265609555 809813754 /nfs/dbraw/zinc/81/37/54/809813754.db2.gz RRCWIQDBFPPMAW-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH+](C)CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001265975863 809911385 /nfs/dbraw/zinc/91/13/85/809911385.db2.gz FUWBXGMHYGREDM-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001265975863 809911388 /nfs/dbraw/zinc/91/13/88/809911388.db2.gz FUWBXGMHYGREDM-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001265975863 809911390 /nfs/dbraw/zinc/91/13/90/809911390.db2.gz FUWBXGMHYGREDM-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CC[N@H+](C)CCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001265975863 809911392 /nfs/dbraw/zinc/91/13/92/809911392.db2.gz FUWBXGMHYGREDM-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001267338255 811173414 /nfs/dbraw/zinc/17/34/14/811173414.db2.gz SPCQBCRNNGUTOH-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001267338255 811173418 /nfs/dbraw/zinc/17/34/18/811173418.db2.gz SPCQBCRNNGUTOH-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001267338255 811173422 /nfs/dbraw/zinc/17/34/22/811173422.db2.gz SPCQBCRNNGUTOH-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001267622032 811580039 /nfs/dbraw/zinc/58/00/39/811580039.db2.gz JAEPSQGVERAXOJ-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3cncn3C)C[C@@H]21 ZINC001042308900 811838259 /nfs/dbraw/zinc/83/82/59/811838259.db2.gz HIGQGCFUXFPIKU-ZFWWWQNUSA-N 2 1 286.379 0.519 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001268226196 812382585 /nfs/dbraw/zinc/38/25/85/812382585.db2.gz FEQYVYGVASINOW-QWHCGFSZSA-N 2 1 251.374 0.302 20 30 CCEDMP CC#CC[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001268259659 812427600 /nfs/dbraw/zinc/42/76/00/812427600.db2.gz OMUHOSHRXZTJHK-UHFFFAOYSA-N 2 1 253.390 0.740 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268305679 812469501 /nfs/dbraw/zinc/46/95/01/812469501.db2.gz SQDWKFMAZGIPJA-HUUCEWRRSA-N 2 1 297.443 0.892 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028266598 812532602 /nfs/dbraw/zinc/53/26/02/812532602.db2.gz XXQSCPFRRYNSCF-AWEZNQCLSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCF)CC1 ZINC001028333356 812623781 /nfs/dbraw/zinc/62/37/81/812623781.db2.gz IGJLYNXUHPUDGT-OAHLLOKOSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCF)CC1 ZINC001028333356 812623786 /nfs/dbraw/zinc/62/37/86/812623786.db2.gz IGJLYNXUHPUDGT-OAHLLOKOSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001268645987 812974262 /nfs/dbraw/zinc/97/42/62/812974262.db2.gz LQZFPIYKZUPZSR-OLZOCXBDSA-N 2 1 251.374 0.587 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001268673932 812995698 /nfs/dbraw/zinc/99/56/98/812995698.db2.gz HXSQPTGDYYJPHN-OLZOCXBDSA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268673932 812995703 /nfs/dbraw/zinc/99/57/03/812995703.db2.gz HXSQPTGDYYJPHN-OLZOCXBDSA-N 2 1 269.389 0.378 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028636227 813073509 /nfs/dbraw/zinc/07/35/09/813073509.db2.gz MKZUEFQGFFZZAX-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001028636227 813073517 /nfs/dbraw/zinc/07/35/17/813073517.db2.gz MKZUEFQGFFZZAX-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028636227 813073527 /nfs/dbraw/zinc/07/35/27/813073527.db2.gz MKZUEFQGFFZZAX-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCN1CCC[C@@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001271988635 814666300 /nfs/dbraw/zinc/66/63/00/814666300.db2.gz WKHUFIITJPUXAA-OAHLLOKOSA-N 2 1 283.416 0.457 20 30 CCEDMP C=CC[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001271988635 814666311 /nfs/dbraw/zinc/66/63/11/814666311.db2.gz WKHUFIITJPUXAA-OAHLLOKOSA-N 2 1 283.416 0.457 20 30 CCEDMP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)CCC)C1 ZINC001271988635 814666314 /nfs/dbraw/zinc/66/63/14/814666314.db2.gz WKHUFIITJPUXAA-OAHLLOKOSA-N 2 1 283.416 0.457 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)CCC)C1 ZINC001271988635 814666321 /nfs/dbraw/zinc/66/63/21/814666321.db2.gz WKHUFIITJPUXAA-OAHLLOKOSA-N 2 1 283.416 0.457 20 30 CCEDMP CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001272049740 814882538 /nfs/dbraw/zinc/88/25/38/814882538.db2.gz SVSRKQDPXGCLNU-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001272049740 814882542 /nfs/dbraw/zinc/88/25/42/814882542.db2.gz SVSRKQDPXGCLNU-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001272049740 814882544 /nfs/dbraw/zinc/88/25/44/814882544.db2.gz SVSRKQDPXGCLNU-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001272049740 814882548 /nfs/dbraw/zinc/88/25/48/814882548.db2.gz SVSRKQDPXGCLNU-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444387 815645734 /nfs/dbraw/zinc/64/57/34/815645734.db2.gz WDYCKFYBTAMUMA-KFWWJZLASA-N 2 1 293.411 0.208 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444387 815645735 /nfs/dbraw/zinc/64/57/35/815645735.db2.gz WDYCKFYBTAMUMA-KFWWJZLASA-N 2 1 293.411 0.208 20 30 CCEDMP CC[NH+](CC)CCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001224929012 815705576 /nfs/dbraw/zinc/70/55/76/815705576.db2.gz YJKWZAJIPRQPPN-KLLCGCCRSA-N 2 1 254.374 0.957 20 30 CCEDMP CC[NH+](CC)CCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001224929012 815705581 /nfs/dbraw/zinc/70/55/81/815705581.db2.gz YJKWZAJIPRQPPN-KLLCGCCRSA-N 2 1 254.374 0.957 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030346826 815988552 /nfs/dbraw/zinc/98/85/52/815988552.db2.gz FKUJCHPTNDSDMC-LSDHHAIUSA-N 2 1 293.411 0.616 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030346826 815988555 /nfs/dbraw/zinc/98/85/55/815988555.db2.gz FKUJCHPTNDSDMC-LSDHHAIUSA-N 2 1 293.411 0.616 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001089050244 816226626 /nfs/dbraw/zinc/22/66/26/816226626.db2.gz YJQHHMSXMHZCSW-ILXRZTDVSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001089050244 816226630 /nfs/dbraw/zinc/22/66/30/816226630.db2.gz YJQHHMSXMHZCSW-ILXRZTDVSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089050244 816226633 /nfs/dbraw/zinc/22/66/33/816226633.db2.gz YJQHHMSXMHZCSW-ILXRZTDVSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089050244 816226637 /nfs/dbraw/zinc/22/66/37/816226637.db2.gz YJQHHMSXMHZCSW-ILXRZTDVSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106432546 816770764 /nfs/dbraw/zinc/77/07/64/816770764.db2.gz XBJWNVPUDXMTKJ-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235354191 816866501 /nfs/dbraw/zinc/86/65/01/816866501.db2.gz KPVLAZPSDVDRCA-HUUCEWRRSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001031684532 817243426 /nfs/dbraw/zinc/24/34/26/817243426.db2.gz RRMXRQOGSBZRKH-LSDHHAIUSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001031714950 817278603 /nfs/dbraw/zinc/27/86/03/817278603.db2.gz NMCFTQOPUCADPL-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001031714950 817278607 /nfs/dbraw/zinc/27/86/07/817278607.db2.gz NMCFTQOPUCADPL-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(C)C)C1 ZINC001031742450 817308231 /nfs/dbraw/zinc/30/82/31/817308231.db2.gz FAZSKQQBUHJLBA-HNNXBMFYSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(C)C)C1 ZINC001031742450 817308239 /nfs/dbraw/zinc/30/82/39/817308239.db2.gz FAZSKQQBUHJLBA-HNNXBMFYSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031923161 817469156 /nfs/dbraw/zinc/46/91/56/817469156.db2.gz UTLISNMYAFSDLX-OAHLLOKOSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785816 817866792 /nfs/dbraw/zinc/86/67/92/817866792.db2.gz QSGMUBYDYXRJCB-ZIAGYGMSSA-N 2 1 281.400 0.522 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212463028 818137546 /nfs/dbraw/zinc/13/75/46/818137546.db2.gz OUZJAQTXWQOIII-MGPQQGTHSA-N 2 1 281.400 0.165 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082581 818498713 /nfs/dbraw/zinc/49/87/13/818498713.db2.gz SAZKBDDUPRCOPH-HUUCEWRRSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033083252 818499845 /nfs/dbraw/zinc/49/98/45/818499845.db2.gz WJCAPBJTBARORW-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592072 818841535 /nfs/dbraw/zinc/84/15/35/818841535.db2.gz FOPRRSQKMIXFBE-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034040928 819041842 /nfs/dbraw/zinc/04/18/42/819041842.db2.gz ZVXZBOFZRXJNKI-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034040928 819041848 /nfs/dbraw/zinc/04/18/48/819041848.db2.gz ZVXZBOFZRXJNKI-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034040928 819041854 /nfs/dbraw/zinc/04/18/54/819041854.db2.gz ZVXZBOFZRXJNKI-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001035377092 819509048 /nfs/dbraw/zinc/50/90/48/819509048.db2.gz VFNFTSZEJWOTEW-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001035377092 819509056 /nfs/dbraw/zinc/50/90/56/819509056.db2.gz VFNFTSZEJWOTEW-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035377092 819509064 /nfs/dbraw/zinc/50/90/64/819509064.db2.gz VFNFTSZEJWOTEW-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035377092 819509071 /nfs/dbraw/zinc/50/90/71/819509071.db2.gz VFNFTSZEJWOTEW-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035852235 819632853 /nfs/dbraw/zinc/63/28/53/819632853.db2.gz RWPURKWMXMZJOK-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001036113740 819689867 /nfs/dbraw/zinc/68/98/67/819689867.db2.gz SSMGHRLDOTXLEL-GXTWGEPZSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001079965730 820494895 /nfs/dbraw/zinc/49/48/95/820494895.db2.gz STUQLUXFAOXDFU-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001079965730 820494898 /nfs/dbraw/zinc/49/48/98/820494898.db2.gz STUQLUXFAOXDFU-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001079965730 820494905 /nfs/dbraw/zinc/49/49/05/820494905.db2.gz STUQLUXFAOXDFU-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001079965730 820494912 /nfs/dbraw/zinc/49/49/12/820494912.db2.gz STUQLUXFAOXDFU-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001080036051 820507996 /nfs/dbraw/zinc/50/79/96/820507996.db2.gz IMKNXCWOZYIAPI-ZIAGYGMSSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001080036051 820508003 /nfs/dbraw/zinc/50/80/03/820508003.db2.gz IMKNXCWOZYIAPI-ZIAGYGMSSA-N 2 1 275.396 0.685 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001080138417 820518009 /nfs/dbraw/zinc/51/80/09/820518009.db2.gz JBOPUHZZEVSVOU-DGCLKSJQSA-N 2 1 262.357 0.814 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001080138417 820518019 /nfs/dbraw/zinc/51/80/19/820518019.db2.gz JBOPUHZZEVSVOU-DGCLKSJQSA-N 2 1 262.357 0.814 20 30 CCEDMP C=CCN1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133490 820905539 /nfs/dbraw/zinc/90/55/39/820905539.db2.gz DTZWFRVXBGPTCJ-BFHYXJOUSA-N 2 1 281.400 0.472 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082371223 820950162 /nfs/dbraw/zinc/95/01/62/820950162.db2.gz XUJBPGSSGMFFEO-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082371223 820950168 /nfs/dbraw/zinc/95/01/68/820950168.db2.gz XUJBPGSSGMFFEO-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC001273308163 821596790 /nfs/dbraw/zinc/59/67/90/821596790.db2.gz HKFIMLPFEYPKGZ-KKUMJFAQSA-N 2 1 293.411 0.167 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973812 821677540 /nfs/dbraw/zinc/67/75/40/821677540.db2.gz JNEUUCNYRSICIN-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085670764 821890257 /nfs/dbraw/zinc/89/02/57/821890257.db2.gz DVNAZGKDRLRBAL-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085670764 821890265 /nfs/dbraw/zinc/89/02/65/821890265.db2.gz DVNAZGKDRLRBAL-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085670764 821890273 /nfs/dbraw/zinc/89/02/73/821890273.db2.gz DVNAZGKDRLRBAL-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085670764 821890284 /nfs/dbraw/zinc/89/02/84/821890284.db2.gz DVNAZGKDRLRBAL-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086052708 822094090 /nfs/dbraw/zinc/09/40/90/822094090.db2.gz SHGMJAYBBOYKTA-MJBXVCDLSA-N 2 1 281.400 0.378 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086052708 822094100 /nfs/dbraw/zinc/09/41/00/822094100.db2.gz SHGMJAYBBOYKTA-MJBXVCDLSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001086091927 822111575 /nfs/dbraw/zinc/11/15/75/822111575.db2.gz SNUFQVULSGAKHN-LJISPDSOSA-N 2 1 293.411 0.520 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129326747 822127583 /nfs/dbraw/zinc/12/75/83/822127583.db2.gz BXODVLRVJSMPCB-HNNXBMFYSA-N 2 1 297.443 0.873 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001129771161 837557600 /nfs/dbraw/zinc/55/76/00/837557600.db2.gz SGGOCRZIHVEETJ-GJZGRUSLSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001129771161 837557602 /nfs/dbraw/zinc/55/76/02/837557602.db2.gz SGGOCRZIHVEETJ-GJZGRUSLSA-N 2 1 293.411 0.359 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182462 837717628 /nfs/dbraw/zinc/71/76/28/837717628.db2.gz JAOQFDHRYSLGSB-BFHYXJOUSA-N 2 1 283.416 0.766 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182462 837717631 /nfs/dbraw/zinc/71/76/31/837717631.db2.gz JAOQFDHRYSLGSB-BFHYXJOUSA-N 2 1 283.416 0.766 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130192490 837720403 /nfs/dbraw/zinc/72/04/03/837720403.db2.gz NRPDMERPLFQCSB-OLZOCXBDSA-N 2 1 251.374 0.895 20 30 CCEDMP C=CCCCC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273495003 844316213 /nfs/dbraw/zinc/31/62/13/844316213.db2.gz LJPVBDLBLDVJMP-UHFFFAOYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132424316 838388622 /nfs/dbraw/zinc/38/86/22/838388622.db2.gz FBHFWEYAOPNXFG-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132423585 838389249 /nfs/dbraw/zinc/38/92/49/838389249.db2.gz ARULLNSKOLGTNB-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133823677 838727363 /nfs/dbraw/zinc/72/73/63/838727363.db2.gz LZGWFGWFKBYTOP-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134759462 839065344 /nfs/dbraw/zinc/06/53/44/839065344.db2.gz PGSPYGFXXWPHGU-CYBMUJFWSA-N 2 1 251.374 0.588 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135103261 839161392 /nfs/dbraw/zinc/16/13/92/839161392.db2.gz ZEBZWAWWTRMHFD-UONOGXRCSA-N 2 1 263.385 0.732 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135861132 839447734 /nfs/dbraw/zinc/44/77/34/839447734.db2.gz MOHTVTBVIBUTRQ-HUUCEWRRSA-N 2 1 297.443 0.851 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001135975694 839489377 /nfs/dbraw/zinc/48/93/77/839489377.db2.gz ASYSGAFYZSALGG-CHWSQXEVSA-N 2 1 253.390 0.834 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090541774 839628601 /nfs/dbraw/zinc/62/86/01/839628601.db2.gz XYIBMJMCENIZLI-ZIAGYGMSSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149895362 841626823 /nfs/dbraw/zinc/62/68/23/841626823.db2.gz HXEJHJLQFHZBHQ-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176644584 842394255 /nfs/dbraw/zinc/39/42/55/842394255.db2.gz XDTHKZMNPKUEDH-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176644584 842394269 /nfs/dbraw/zinc/39/42/69/842394269.db2.gz XDTHKZMNPKUEDH-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115074659 843138760 /nfs/dbraw/zinc/13/87/60/843138760.db2.gz QESUCOLLDYRBSY-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115074659 843138770 /nfs/dbraw/zinc/13/87/70/843138770.db2.gz QESUCOLLDYRBSY-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115074659 843138774 /nfs/dbraw/zinc/13/87/74/843138774.db2.gz QESUCOLLDYRBSY-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001183091252 843961890 /nfs/dbraw/zinc/96/18/90/843961890.db2.gz AEBUQBCGRQRWIX-ZDUSSCGKSA-N 2 1 251.374 0.706 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055059 845030519 /nfs/dbraw/zinc/03/05/19/845030519.db2.gz NSOLXBMCQYVAGI-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190666926 845448183 /nfs/dbraw/zinc/44/81/83/845448183.db2.gz PTWRLMBEIZIJIQ-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193902812 846180089 /nfs/dbraw/zinc/18/00/89/846180089.db2.gz YCTSMZGFBIWTHY-RRFJBIMHSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193902812 846180094 /nfs/dbraw/zinc/18/00/94/846180094.db2.gz YCTSMZGFBIWTHY-RRFJBIMHSA-N 2 1 293.411 0.045 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284699 846265109 /nfs/dbraw/zinc/26/51/09/846265109.db2.gz LYFCQXPJOMFNHF-OAHLLOKOSA-N 2 1 295.427 0.509 20 30 CCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194284699 846265119 /nfs/dbraw/zinc/26/51/19/846265119.db2.gz LYFCQXPJOMFNHF-OAHLLOKOSA-N 2 1 295.427 0.509 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CCCO1 ZINC001200858878 847694563 /nfs/dbraw/zinc/69/45/63/847694563.db2.gz IIHHGDJLLWNDPP-AWEZNQCLSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057162 847851592 /nfs/dbraw/zinc/85/15/92/847851592.db2.gz DMQWGPYCJIIIMS-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114353222 848023215 /nfs/dbraw/zinc/02/32/15/848023215.db2.gz OFPCFAVJUAQZCJ-BARDWOONSA-N 2 1 295.402 0.736 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001275416312 848715725 /nfs/dbraw/zinc/71/57/25/848715725.db2.gz UVDMQLAGPIWWHW-UONOGXRCSA-N 2 1 295.427 0.603 20 30 CCEDMP C=CC[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001275911638 848864668 /nfs/dbraw/zinc/86/46/68/848864668.db2.gz DVLJPSDFRFXIGD-LBPRGKRZSA-N 2 1 253.390 0.951 20 30 CCEDMP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001038630207 849729956 /nfs/dbraw/zinc/72/99/56/849729956.db2.gz MBQUGXRWWJBDCV-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001038630207 849729940 /nfs/dbraw/zinc/72/99/40/849729940.db2.gz MBQUGXRWWJBDCV-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001038630207 849729946 /nfs/dbraw/zinc/72/99/46/849729946.db2.gz MBQUGXRWWJBDCV-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001038630207 849729950 /nfs/dbraw/zinc/72/99/50/849729950.db2.gz MBQUGXRWWJBDCV-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038672027 849979469 /nfs/dbraw/zinc/97/94/69/849979469.db2.gz USBUJJYFKOGLNL-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038672027 849979476 /nfs/dbraw/zinc/97/94/76/849979476.db2.gz USBUJJYFKOGLNL-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785598 850502502 /nfs/dbraw/zinc/50/25/02/850502502.db2.gz JBDYNEWUFWKMIB-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785598 850502503 /nfs/dbraw/zinc/50/25/03/850502503.db2.gz JBDYNEWUFWKMIB-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785598 850502506 /nfs/dbraw/zinc/50/25/06/850502506.db2.gz JBDYNEWUFWKMIB-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044290216 851061942 /nfs/dbraw/zinc/06/19/42/851061942.db2.gz MTJQABYZMWXOGA-LBPRGKRZSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044290216 851061946 /nfs/dbraw/zinc/06/19/46/851061946.db2.gz MTJQABYZMWXOGA-LBPRGKRZSA-N 2 1 251.374 0.657 20 30 CCEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046329984 851465952 /nfs/dbraw/zinc/46/59/52/851465952.db2.gz DROOTFRSCIMLHA-SQWLQELKSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059191 852149584 /nfs/dbraw/zinc/14/95/84/852149584.db2.gz CLVOAUPTCSXQAI-JONQDZQNSA-N 2 1 289.423 0.598 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059191 852149588 /nfs/dbraw/zinc/14/95/88/852149588.db2.gz CLVOAUPTCSXQAI-JONQDZQNSA-N 2 1 289.423 0.598 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059191 852149590 /nfs/dbraw/zinc/14/95/90/852149590.db2.gz CLVOAUPTCSXQAI-JONQDZQNSA-N 2 1 289.423 0.598 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001049234398 852200152 /nfs/dbraw/zinc/20/01/52/852200152.db2.gz DQHZMQGNPJKXHI-IYBDPMFKSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001052865614 852663383 /nfs/dbraw/zinc/66/33/83/852663383.db2.gz QDLZARCKAVQXCO-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052865614 852663384 /nfs/dbraw/zinc/66/33/84/852663384.db2.gz QDLZARCKAVQXCO-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052865614 852663386 /nfs/dbraw/zinc/66/33/86/852663386.db2.gz QDLZARCKAVQXCO-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938469 852674087 /nfs/dbraw/zinc/67/40/87/852674087.db2.gz YMVWNUUERZARRB-AWEZNQCLSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001054748513 853006283 /nfs/dbraw/zinc/00/62/83/853006283.db2.gz NOJCRYQLFBKDRX-OCCSQVGLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813524 854470634 /nfs/dbraw/zinc/47/06/34/854470634.db2.gz VHOXVBLJIAEURX-AWEZNQCLSA-N 2 1 298.390 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813524 854470636 /nfs/dbraw/zinc/47/06/36/854470636.db2.gz VHOXVBLJIAEURX-AWEZNQCLSA-N 2 1 298.390 0.928 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001072983096 854506940 /nfs/dbraw/zinc/50/69/40/854506940.db2.gz LAIWOFLGBLSVFI-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001072983096 854506946 /nfs/dbraw/zinc/50/69/46/854506946.db2.gz LAIWOFLGBLSVFI-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001072983096 854506952 /nfs/dbraw/zinc/50/69/52/854506952.db2.gz LAIWOFLGBLSVFI-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072981224 854507215 /nfs/dbraw/zinc/50/72/15/854507215.db2.gz AYJYLYBCLPIIIM-GJZGRUSLSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001072981224 854507222 /nfs/dbraw/zinc/50/72/22/854507222.db2.gz AYJYLYBCLPIIIM-GJZGRUSLSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001072981224 854507231 /nfs/dbraw/zinc/50/72/31/854507231.db2.gz AYJYLYBCLPIIIM-GJZGRUSLSA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073447112 854560145 /nfs/dbraw/zinc/56/01/45/854560145.db2.gz FJJMTMRNPDVTMZ-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073447112 854560153 /nfs/dbraw/zinc/56/01/53/854560153.db2.gz FJJMTMRNPDVTMZ-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447112 854560160 /nfs/dbraw/zinc/56/01/60/854560160.db2.gz FJJMTMRNPDVTMZ-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447112 854560170 /nfs/dbraw/zinc/56/01/70/854560170.db2.gz FJJMTMRNPDVTMZ-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971569 855056647 /nfs/dbraw/zinc/05/66/47/855056647.db2.gz JWQONOCUDBQXBD-UONOGXRCSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974047 855057371 /nfs/dbraw/zinc/05/73/71/855057371.db2.gz MNRXYAQQMPPOGE-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001100873216 855235559 /nfs/dbraw/zinc/23/55/59/855235559.db2.gz YHGMUUKIZBVZCY-IYXRBSQSSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047408 855411784 /nfs/dbraw/zinc/41/17/84/855411784.db2.gz GEKIWOSCWXZRAW-BPLDGKMQSA-N 2 1 277.412 0.644 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579714 855447864 /nfs/dbraw/zinc/44/78/64/855447864.db2.gz LMIHDVWRRIUHFJ-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034165 855563584 /nfs/dbraw/zinc/56/35/84/855563584.db2.gz VPENXIGGEDYHOF-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034165 855563588 /nfs/dbraw/zinc/56/35/88/855563588.db2.gz VPENXIGGEDYHOF-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP CC#CC[C@@H](CO)NC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001120504943 857098055 /nfs/dbraw/zinc/09/80/55/857098055.db2.gz WBVSPEZRMJMPPB-DLBZAZTESA-N 2 1 290.407 0.843 20 30 CCEDMP CC#CC[C@@H](CO)NC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001120504943 857098062 /nfs/dbraw/zinc/09/80/62/857098062.db2.gz WBVSPEZRMJMPPB-DLBZAZTESA-N 2 1 290.407 0.843 20 30 CCEDMP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001481317046 892570957 /nfs/dbraw/zinc/57/09/57/892570957.db2.gz XZCRPDYFVSFECI-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001481317046 892570967 /nfs/dbraw/zinc/57/09/67/892570967.db2.gz XZCRPDYFVSFECI-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481498147 892748126 /nfs/dbraw/zinc/74/81/26/892748126.db2.gz ODCWXIRPFVEVOV-LSDHHAIUSA-N 2 1 279.428 0.986 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001481503266 892751966 /nfs/dbraw/zinc/75/19/66/892751966.db2.gz GZZPUNGEFVUESM-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC001326045472 913716248 /nfs/dbraw/zinc/71/62/48/913716248.db2.gz COJHFMXLXWETEU-ZIAGYGMSSA-N 2 1 287.367 0.576 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001481661575 892977443 /nfs/dbraw/zinc/97/74/43/892977443.db2.gz YUIYZTJOUYZZES-UHFFFAOYSA-N 2 1 277.412 0.934 20 30 CCEDMP C=CC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001482344548 893894694 /nfs/dbraw/zinc/89/46/94/893894694.db2.gz UUUXCJDONPRGTC-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001482750470 894551093 /nfs/dbraw/zinc/55/10/93/894551093.db2.gz SATVBCATDFVYQJ-CYBMUJFWSA-N 2 1 280.372 0.224 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483266346 895399210 /nfs/dbraw/zinc/39/92/10/895399210.db2.gz IJRWRNZTAOGCQP-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001483270720 895400594 /nfs/dbraw/zinc/40/05/94/895400594.db2.gz FGEFVLFFGHDMND-LBPRGKRZSA-N 2 1 262.357 0.734 20 30 CCEDMP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001484355030 896355619 /nfs/dbraw/zinc/35/56/19/896355619.db2.gz NVWOGWQSGSHEGX-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH2+]C1CCN(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001484423019 896389823 /nfs/dbraw/zinc/38/98/23/896389823.db2.gz WZZOKJVPLOFAFD-UHFFFAOYSA-N 2 1 294.443 0.132 20 30 CCEDMP C#CC[NH2+]CC1(NC(=O)CC[N@H+](C)CC)CCOCC1 ZINC001484871536 896640014 /nfs/dbraw/zinc/64/00/14/896640014.db2.gz VRXMPRVYEGCMOB-UHFFFAOYSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001485365954 896995193 /nfs/dbraw/zinc/99/51/93/896995193.db2.gz PQYDSVIVNUFCLT-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001485370288 897000937 /nfs/dbraw/zinc/00/09/37/897000937.db2.gz OPSCQGGAFUUVBK-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)CC ZINC001485370288 897000948 /nfs/dbraw/zinc/00/09/48/897000948.db2.gz OPSCQGGAFUUVBK-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP CC#CC[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)CC ZINC001485370288 897000961 /nfs/dbraw/zinc/00/09/61/897000961.db2.gz OPSCQGGAFUUVBK-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CCN1CC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001485532484 897113302 /nfs/dbraw/zinc/11/33/02/897113302.db2.gz HJNZZDFZSHIDFT-STQMWFEESA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001485532484 897113305 /nfs/dbraw/zinc/11/33/05/897113305.db2.gz HJNZZDFZSHIDFT-STQMWFEESA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001485532484 897113311 /nfs/dbraw/zinc/11/33/11/897113311.db2.gz HJNZZDFZSHIDFT-STQMWFEESA-N 2 1 263.385 0.398 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032407482 897472460 /nfs/dbraw/zinc/47/24/60/897472460.db2.gz FOSADGPTMHRNFX-SOUVJXGZSA-N 2 1 275.396 0.799 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032407482 897472468 /nfs/dbraw/zinc/47/24/68/897472468.db2.gz FOSADGPTMHRNFX-SOUVJXGZSA-N 2 1 275.396 0.799 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778533 897486753 /nfs/dbraw/zinc/48/67/53/897486753.db2.gz OYAKSWKVXHLZOW-HUUCEWRRSA-N 2 1 295.427 0.456 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001203459255 897658122 /nfs/dbraw/zinc/65/81/22/897658122.db2.gz BCXLJAXASHCKEO-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP N#Cc1cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)ccn1 ZINC001205247575 897744553 /nfs/dbraw/zinc/74/45/53/897744553.db2.gz ITJDCTGEDLXFRF-AWEZNQCLSA-N 2 1 260.341 0.629 20 30 CCEDMP N#Cc1cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)ccn1 ZINC001205247578 897746581 /nfs/dbraw/zinc/74/65/81/897746581.db2.gz ITJDCTGEDLXFRF-CQSZACIVSA-N 2 1 260.341 0.629 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212434854 898171242 /nfs/dbraw/zinc/17/12/42/898171242.db2.gz LHZDYWHXFAQFGJ-KFWWJZLASA-N 2 1 295.427 0.411 20 30 CCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001486028423 898616926 /nfs/dbraw/zinc/61/69/26/898616926.db2.gz VMEUXROHUQZZOL-IHRRRGAJSA-N 2 1 283.416 0.360 20 30 CCEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001486337961 898803052 /nfs/dbraw/zinc/80/30/52/898803052.db2.gz PUCSIIGCSMFSPK-SOUVJXGZSA-N 2 1 295.427 0.101 20 30 CCEDMP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001486337961 898803061 /nfs/dbraw/zinc/80/30/61/898803061.db2.gz PUCSIIGCSMFSPK-SOUVJXGZSA-N 2 1 295.427 0.101 20 30 CCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001486337961 898803072 /nfs/dbraw/zinc/80/30/72/898803072.db2.gz PUCSIIGCSMFSPK-SOUVJXGZSA-N 2 1 295.427 0.101 20 30 CCEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001327017623 914316324 /nfs/dbraw/zinc/31/63/24/914316324.db2.gz JZEUVIRPPDOCTM-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001489219152 900450336 /nfs/dbraw/zinc/45/03/36/900450336.db2.gz PWBASBOLIKTFTM-OAHLLOKOSA-N 2 1 297.443 0.921 20 30 CCEDMP C=C(C)C[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001489219152 900450329 /nfs/dbraw/zinc/45/03/29/900450329.db2.gz PWBASBOLIKTFTM-OAHLLOKOSA-N 2 1 297.443 0.921 20 30 CCEDMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001489219152 900450339 /nfs/dbraw/zinc/45/03/39/900450339.db2.gz PWBASBOLIKTFTM-OAHLLOKOSA-N 2 1 297.443 0.921 20 30 CCEDMP CC#CC[NH+](C)CCCNC(=O)C[N@H+](C)CCC ZINC001490271026 900584729 /nfs/dbraw/zinc/58/47/29/900584729.db2.gz NFUFQKDIEQQJDM-UHFFFAOYSA-N 2 1 253.390 0.790 20 30 CCEDMP CC#CC[N@@H+](C)CCCNC(=O)C[NH+](C)CCC ZINC001490271026 900584739 /nfs/dbraw/zinc/58/47/39/900584739.db2.gz NFUFQKDIEQQJDM-UHFFFAOYSA-N 2 1 253.390 0.790 20 30 CCEDMP CC#CC[N@H+](C)CCCNC(=O)C[NH+](C)CCC ZINC001490271026 900584752 /nfs/dbraw/zinc/58/47/52/900584752.db2.gz NFUFQKDIEQQJDM-UHFFFAOYSA-N 2 1 253.390 0.790 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001280593194 900972109 /nfs/dbraw/zinc/97/21/09/900972109.db2.gz ABZZJTRITJOSDS-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491070701 903332279 /nfs/dbraw/zinc/33/22/79/903332279.db2.gz XGWHQFCBHGKXLK-MELADBBJSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001316605366 904139760 /nfs/dbraw/zinc/13/97/60/904139760.db2.gz HIKQPXBPWOVKJM-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001316605366 904139766 /nfs/dbraw/zinc/13/97/66/904139766.db2.gz HIKQPXBPWOVKJM-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001316605366 904139772 /nfs/dbraw/zinc/13/97/72/904139772.db2.gz HIKQPXBPWOVKJM-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001281459080 904289097 /nfs/dbraw/zinc/28/90/97/904289097.db2.gz SQSSBNMTFLPUDX-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCOC ZINC001283616716 904931549 /nfs/dbraw/zinc/93/15/49/904931549.db2.gz ATOZALUEKJIGTG-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCOC ZINC001283616716 904931562 /nfs/dbraw/zinc/93/15/62/904931562.db2.gz ATOZALUEKJIGTG-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001284448980 905299298 /nfs/dbraw/zinc/29/92/98/905299298.db2.gz XPNXVCWVXCNSKN-CQSZACIVSA-N 2 1 297.443 0.397 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001298202153 907174424 /nfs/dbraw/zinc/17/44/24/907174424.db2.gz JXODXNMWVWAXCG-OLZOCXBDSA-N 2 1 251.374 0.657 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=C)C ZINC001317252218 909095700 /nfs/dbraw/zinc/09/57/00/909095700.db2.gz DOYCHWJGOLAIMJ-KBPBESRZSA-N 2 1 263.385 0.754 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=C)C ZINC001317252218 909095709 /nfs/dbraw/zinc/09/57/09/909095709.db2.gz DOYCHWJGOLAIMJ-KBPBESRZSA-N 2 1 263.385 0.754 20 30 CCEDMP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001317397498 909175909 /nfs/dbraw/zinc/17/59/09/909175909.db2.gz WSOCUUULYQQGKW-KGLIPLIRSA-N 2 1 261.369 0.202 20 30 CCEDMP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001317397498 909175918 /nfs/dbraw/zinc/17/59/18/909175918.db2.gz WSOCUUULYQQGKW-KGLIPLIRSA-N 2 1 261.369 0.202 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001317532154 909296751 /nfs/dbraw/zinc/29/67/51/909296751.db2.gz GWFGYEIEZPSJKY-HNNXBMFYSA-N 2 1 295.427 0.723 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001317532154 909296764 /nfs/dbraw/zinc/29/67/64/909296764.db2.gz GWFGYEIEZPSJKY-HNNXBMFYSA-N 2 1 295.427 0.723 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC001338491541 921485261 /nfs/dbraw/zinc/48/52/61/921485261.db2.gz KWOVRNPWLXGGBR-CQSZACIVSA-N 2 1 268.401 0.586 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001318257610 909680739 /nfs/dbraw/zinc/68/07/39/909680739.db2.gz PYYWSIOMLVUBRQ-GJZGRUSLSA-N 2 1 297.443 0.966 20 30 CCEDMP C#CCN1CC[C@@H](N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318482617 909775070 /nfs/dbraw/zinc/77/50/70/909775070.db2.gz KOVJHRGYWZTGDG-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001318482617 909775086 /nfs/dbraw/zinc/77/50/86/909775086.db2.gz KOVJHRGYWZTGDG-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001318482617 909775107 /nfs/dbraw/zinc/77/51/07/909775107.db2.gz KOVJHRGYWZTGDG-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318482617 909775134 /nfs/dbraw/zinc/77/51/34/909775134.db2.gz KOVJHRGYWZTGDG-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+]C[C@H](O)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001320262712 910565536 /nfs/dbraw/zinc/56/55/36/910565536.db2.gz YLHXUWRUFKIZBD-HNNXBMFYSA-N 2 1 295.427 0.341 20 30 CCEDMP C#CC[NH2+]CCN(CC)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001320755123 910844247 /nfs/dbraw/zinc/84/42/47/910844247.db2.gz AQYIHOPGWFFLNV-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001321522981 911348513 /nfs/dbraw/zinc/34/85/13/911348513.db2.gz XIEYXIQYTGNACO-HZSPNIEDSA-N 2 1 265.401 0.834 20 30 CCEDMP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001330422516 916619950 /nfs/dbraw/zinc/61/99/50/916619950.db2.gz CSNJTIQRWYUCFI-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001332217484 917964052 /nfs/dbraw/zinc/96/40/52/917964052.db2.gz HOQSUSGLRGVYFV-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001332217484 917964063 /nfs/dbraw/zinc/96/40/63/917964063.db2.gz HOQSUSGLRGVYFV-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001332217484 917964075 /nfs/dbraw/zinc/96/40/75/917964075.db2.gz HOQSUSGLRGVYFV-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001332536956 918264683 /nfs/dbraw/zinc/26/46/83/918264683.db2.gz PJLPIXZPKMHWOB-CABCVRRESA-N 2 1 297.443 0.702 20 30 CCEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001332647071 918349591 /nfs/dbraw/zinc/34/95/91/918349591.db2.gz HFQIQEXHXQLTIV-AWEZNQCLSA-N 2 1 295.427 0.245 20 30 CCEDMP C#CC[NH2+]CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001341555725 922549759 /nfs/dbraw/zinc/54/97/59/922549759.db2.gz MRGABHXTVDDEJK-CQSZACIVSA-N 2 1 265.401 0.838 20 30 CCEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC001348860960 924830362 /nfs/dbraw/zinc/83/03/62/924830362.db2.gz SHMKVDZWPGSGAI-AGIUHOORSA-N 2 1 266.389 0.806 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001353508051 925855493 /nfs/dbraw/zinc/85/54/93/925855493.db2.gz HWIDOYMCPSFBOX-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001353508051 925855501 /nfs/dbraw/zinc/85/55/01/925855501.db2.gz HWIDOYMCPSFBOX-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP COc1cc(C[N@@H+](C)CCOCC[NH3+])ccc1C#N ZINC000600775271 362059927 /nfs/dbraw/zinc/05/99/27/362059927.db2.gz TWNBPIWVPDXFAF-UHFFFAOYSA-N 2 1 263.341 0.974 20 30 CCEDMP [NH2+]=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)NC1CC1 ZINC000066245393 348738439 /nfs/dbraw/zinc/73/84/39/348738439.db2.gz GNPZIVONIKHLOO-HNNXBMFYSA-N 2 1 288.395 0.472 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000167765611 350814572 /nfs/dbraw/zinc/81/45/72/350814572.db2.gz DDSGIOSTFCPTIU-LLVKDONJSA-N 2 1 255.387 0.416 20 30 CCEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)C(C)C ZINC000165196757 350787520 /nfs/dbraw/zinc/78/75/20/350787520.db2.gz RPNNDQOBEVRXNZ-GJZGRUSLSA-N 2 1 295.427 0.790 20 30 CCEDMP C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693681 351455138 /nfs/dbraw/zinc/45/51/38/351455138.db2.gz VMZDJRFDGUISNI-CHWSQXEVSA-N 2 1 278.400 0.869 20 30 CCEDMP C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693681 351455142 /nfs/dbraw/zinc/45/51/42/351455142.db2.gz VMZDJRFDGUISNI-CHWSQXEVSA-N 2 1 278.400 0.869 20 30 CCEDMP CN(C)C(=[NH+]CCN1CCC[N@@H+](C)CC1)N(C)C ZINC000261992360 352569121 /nfs/dbraw/zinc/56/91/21/352569121.db2.gz MMZGQFVFNTVMQT-UHFFFAOYSA-N 2 1 255.410 0.103 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000592955872 359994913 /nfs/dbraw/zinc/99/49/13/359994913.db2.gz PKPGMVJTFJBKLI-UONOGXRCSA-N 2 1 294.399 0.331 20 30 CCEDMP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2C)CCC[NH2+]1 ZINC000638537286 375124878 /nfs/dbraw/zinc/12/48/78/375124878.db2.gz YEOFNYSILZVQPD-OCCSQVGLSA-N 2 1 251.374 0.895 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1OC ZINC000104164474 389079998 /nfs/dbraw/zinc/07/99/98/389079998.db2.gz YWLQGOXKOMQNGP-CYBMUJFWSA-N 2 1 291.399 0.979 20 30 CCEDMP O=C(N[C@H]1CCn2ccnc2C1)N1CCn2cncc2C1 ZINC000329682693 389187851 /nfs/dbraw/zinc/18/78/51/389187851.db2.gz XLXDYTNZYMKXCS-NSHDSACASA-N 2 1 286.339 0.824 20 30 CCEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CCCn1ccnc1 ZINC000130370558 389204644 /nfs/dbraw/zinc/20/46/44/389204644.db2.gz PVICOJXXLHSYHQ-ZDUSSCGKSA-N 2 1 277.372 0.966 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c[nH]nc1C ZINC000262009362 389279637 /nfs/dbraw/zinc/27/96/37/389279637.db2.gz SQOILWBUKKWMJU-LBPRGKRZSA-N 2 1 264.377 0.607 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNc1ccccn1 ZINC000264060763 389303862 /nfs/dbraw/zinc/30/38/62/389303862.db2.gz CSHDGYRGUBDKLC-CYBMUJFWSA-N 2 1 290.415 0.882 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000420409688 389997894 /nfs/dbraw/zinc/99/78/94/389997894.db2.gz QOBARBUOCLOPQO-AGIUHOORSA-N 2 1 251.374 0.690 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000420409688 389997896 /nfs/dbraw/zinc/99/78/96/389997896.db2.gz QOBARBUOCLOPQO-AGIUHOORSA-N 2 1 251.374 0.690 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C1=O ZINC000420409692 389997995 /nfs/dbraw/zinc/99/79/95/389997995.db2.gz QOBARBUOCLOPQO-UPJWGTAASA-N 2 1 251.374 0.690 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C1=O ZINC000420409692 389997999 /nfs/dbraw/zinc/99/79/99/389997999.db2.gz QOBARBUOCLOPQO-UPJWGTAASA-N 2 1 251.374 0.690 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000491743667 390116437 /nfs/dbraw/zinc/11/64/37/390116437.db2.gz WOFKGARMEFFLPF-UHFFFAOYSA-N 2 1 294.443 0.973 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)C1=O ZINC000647934771 390222307 /nfs/dbraw/zinc/22/23/07/390222307.db2.gz PSTYYEQUOZLDKS-AGIUHOORSA-N 2 1 251.374 0.833 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)C1=O ZINC000647934771 390222312 /nfs/dbraw/zinc/22/23/12/390222312.db2.gz PSTYYEQUOZLDKS-AGIUHOORSA-N 2 1 251.374 0.833 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000520814278 390589273 /nfs/dbraw/zinc/58/92/73/390589273.db2.gz MXZQLQDRQWHIBZ-UONOGXRCSA-N 2 1 293.411 0.461 20 30 CCEDMP CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329422564 545022641 /nfs/dbraw/zinc/02/26/41/545022641.db2.gz FTWIAGLRQODSPF-CQSZACIVSA-N 2 1 297.447 0.220 20 30 CCEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@@H]2CO)[C@H]1CO ZINC000342140917 263391680 /nfs/dbraw/zinc/39/16/80/263391680.db2.gz YPJTYIKAYQNQCO-FZKCQIBNSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@@H]2CO)[C@H]1CO ZINC000342140917 263391682 /nfs/dbraw/zinc/39/16/82/263391682.db2.gz YPJTYIKAYQNQCO-FZKCQIBNSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@@H]2CO)[C@H]1CO ZINC000342140917 263391685 /nfs/dbraw/zinc/39/16/85/263391685.db2.gz YPJTYIKAYQNQCO-FZKCQIBNSA-N 2 1 280.412 0.395 20 30 CCEDMP CNC(=O)N[C@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC000330961591 264089169 /nfs/dbraw/zinc/08/91/69/264089169.db2.gz YCAVZFAOBJSOOY-LBPRGKRZSA-N 2 1 265.361 0.789 20 30 CCEDMP CNC(=O)N[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000330961591 264089171 /nfs/dbraw/zinc/08/91/71/264089171.db2.gz YCAVZFAOBJSOOY-LBPRGKRZSA-N 2 1 265.361 0.789 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131692695 264376052 /nfs/dbraw/zinc/37/60/52/264376052.db2.gz VALOHVZGGOGFHD-STQMWFEESA-N 2 1 251.374 0.856 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131692695 264376054 /nfs/dbraw/zinc/37/60/54/264376054.db2.gz VALOHVZGGOGFHD-STQMWFEESA-N 2 1 251.374 0.856 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000584286341 327218386 /nfs/dbraw/zinc/21/83/86/327218386.db2.gz IOLXSDZFMKAFEH-CQSZACIVSA-N 2 1 264.373 0.484 20 30 CCEDMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262680832 330026477 /nfs/dbraw/zinc/02/64/77/330026477.db2.gz WEFCCDVKVNDAFE-STQMWFEESA-N 2 1 268.405 0.896 20 30 CCEDMP C[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262773538 330030535 /nfs/dbraw/zinc/03/05/35/330030535.db2.gz KKBUZMFVJHDJOV-GFCCVEGCSA-N 2 1 276.388 0.620 20 30 CCEDMP C[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262773538 330030536 /nfs/dbraw/zinc/03/05/36/330030536.db2.gz KKBUZMFVJHDJOV-GFCCVEGCSA-N 2 1 276.388 0.620 20 30 CCEDMP CC(C)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424127943 330259657 /nfs/dbraw/zinc/25/96/57/330259657.db2.gz DWLNQMLYKGLEEQ-GFCCVEGCSA-N 2 1 252.362 0.560 20 30 CCEDMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424138350 330276603 /nfs/dbraw/zinc/27/66/03/330276603.db2.gz UEZOVYOZJNEXOC-QWHCGFSZSA-N 2 1 266.389 0.998 20 30 CCEDMP COCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1C ZINC000424138663 330276892 /nfs/dbraw/zinc/27/68/92/330276892.db2.gz DNTBFEZYUCBARA-CHWSQXEVSA-N 2 1 282.388 0.187 20 30 CCEDMP COCC[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1C ZINC000424138663 330276894 /nfs/dbraw/zinc/27/68/94/330276894.db2.gz DNTBFEZYUCBARA-CHWSQXEVSA-N 2 1 282.388 0.187 20 30 CCEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C[NH+]1CCOCC1 ZINC000424157487 330304696 /nfs/dbraw/zinc/30/46/96/330304696.db2.gz PPTUYSYOHKGUBK-CHWSQXEVSA-N 2 1 282.388 0.092 20 30 CCEDMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424172834 330312885 /nfs/dbraw/zinc/31/28/85/330312885.db2.gz KTIXQTJDFRNTKB-STQMWFEESA-N 2 1 266.389 0.806 20 30 CCEDMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424172834 330312886 /nfs/dbraw/zinc/31/28/86/330312886.db2.gz KTIXQTJDFRNTKB-STQMWFEESA-N 2 1 266.389 0.806 20 30 CCEDMP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424173953 330313682 /nfs/dbraw/zinc/31/36/82/330313682.db2.gz MMQKUHCLRDOIEP-JQWIXIFHSA-N 2 1 256.325 0.168 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000491338041 332192386 /nfs/dbraw/zinc/19/23/86/332192386.db2.gz FUZTYEJFVVTFDM-KGLIPLIRSA-N 2 1 278.400 0.335 20 30 CCEDMP C#CC[NH+](C)CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000491460631 332215271 /nfs/dbraw/zinc/21/52/71/332215271.db2.gz ANCNVYNGNVRVKI-CQSZACIVSA-N 3 1 279.432 0.540 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NC[C@H]1CCC[NH+]1CC ZINC000491460631 332215273 /nfs/dbraw/zinc/21/52/73/332215273.db2.gz ANCNVYNGNVRVKI-CQSZACIVSA-N 3 1 279.432 0.540 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])NC[C@H]1CCC[NH+]1CC ZINC000491460631 332215274 /nfs/dbraw/zinc/21/52/74/332215274.db2.gz ANCNVYNGNVRVKI-CQSZACIVSA-N 3 1 279.432 0.540 20 30 CCEDMP C#CCN(C)CCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000491460631 332215276 /nfs/dbraw/zinc/21/52/76/332215276.db2.gz ANCNVYNGNVRVKI-CQSZACIVSA-N 2 1 279.432 0.540 20 30 CCEDMP C#CCN(C)CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000491460631 332215277 /nfs/dbraw/zinc/21/52/77/332215277.db2.gz ANCNVYNGNVRVKI-CQSZACIVSA-N 2 1 279.432 0.540 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000491464515 332216895 /nfs/dbraw/zinc/21/68/95/332216895.db2.gz RKEJFDLONBPNRR-ZDUSSCGKSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2CC)CC1 ZINC000491504869 332224591 /nfs/dbraw/zinc/22/45/91/332224591.db2.gz JKNQJNXKBSURIT-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000491537903 332232807 /nfs/dbraw/zinc/23/28/07/332232807.db2.gz UTDUKKRQMCFLFR-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491553497 332236093 /nfs/dbraw/zinc/23/60/93/332236093.db2.gz AJNJMEASQUGXMT-OAHLLOKOSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000491553497 332236094 /nfs/dbraw/zinc/23/60/94/332236094.db2.gz AJNJMEASQUGXMT-OAHLLOKOSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000491553497 332236095 /nfs/dbraw/zinc/23/60/95/332236095.db2.gz AJNJMEASQUGXMT-OAHLLOKOSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000491671722 332278559 /nfs/dbraw/zinc/27/85/59/332278559.db2.gz XHXMEIGOEVMEPX-OAHLLOKOSA-N 2 1 278.400 0.337 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000491706235 332299081 /nfs/dbraw/zinc/29/90/81/332299081.db2.gz WWRMXNNDSFIUMA-HNNXBMFYSA-N 2 1 294.443 0.925 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C[NH+](C)CC)C1 ZINC000491706235 332299082 /nfs/dbraw/zinc/29/90/82/332299082.db2.gz WWRMXNNDSFIUMA-HNNXBMFYSA-N 2 1 294.443 0.925 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](C[NH+](C)CC)C1 ZINC000491706235 332299083 /nfs/dbraw/zinc/29/90/83/332299083.db2.gz WWRMXNNDSFIUMA-HNNXBMFYSA-N 2 1 294.443 0.925 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000491818224 332368520 /nfs/dbraw/zinc/36/85/20/332368520.db2.gz KNLRNCHKCSXGFI-AWEZNQCLSA-N 2 1 277.412 0.790 20 30 CCEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC000190005451 333201691 /nfs/dbraw/zinc/20/16/91/333201691.db2.gz RSOLMCPRDCKJMS-KGLIPLIRSA-N 2 1 296.415 0.353 20 30 CCEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC000190005451 333201692 /nfs/dbraw/zinc/20/16/92/333201692.db2.gz RSOLMCPRDCKJMS-KGLIPLIRSA-N 2 1 296.415 0.353 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(OC)CCC1 ZINC000305843396 649884990 /nfs/dbraw/zinc/88/49/90/649884990.db2.gz HTJWIBFNJOXTPS-GFCCVEGCSA-N 2 1 268.405 0.944 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000774106021 581959644 /nfs/dbraw/zinc/95/96/44/581959644.db2.gz ZBFQEWYGHGALLX-CYBMUJFWSA-N 2 1 283.416 0.408 20 30 CCEDMP C#CC1(O)CC[NH+](CCC[NH+]2CCC(O)(C#C)CC2)CC1 ZINC000931151080 612952273 /nfs/dbraw/zinc/95/22/73/612952273.db2.gz MNFMSUXOUBXRAC-UHFFFAOYSA-N 2 1 290.407 0.297 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000965064571 612954155 /nfs/dbraw/zinc/95/41/55/612954155.db2.gz QQZNGIGTROWDGG-HOUHCIJLSA-N 2 1 289.423 0.978 20 30 CCEDMP C#C[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000847017975 613106011 /nfs/dbraw/zinc/10/60/11/613106011.db2.gz GMHRBLWZWMHFIX-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000847017975 613106012 /nfs/dbraw/zinc/10/60/12/613106012.db2.gz GMHRBLWZWMHFIX-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430646 617300544 /nfs/dbraw/zinc/30/05/44/617300544.db2.gz DKDJOTYDBARYCV-MELADBBJSA-N 2 1 278.400 0.630 20 30 CCEDMP C[C@@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931430646 617300545 /nfs/dbraw/zinc/30/05/45/617300545.db2.gz DKDJOTYDBARYCV-MELADBBJSA-N 2 1 278.400 0.630 20 30 CCEDMP C[C@@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430646 617300547 /nfs/dbraw/zinc/30/05/47/617300547.db2.gz DKDJOTYDBARYCV-MELADBBJSA-N 2 1 278.400 0.630 20 30 CCEDMP C#CCC1([NH2+]C[C@H](O)C[N@@H+](C)CCOC)CCC1 ZINC000933296801 612970756 /nfs/dbraw/zinc/97/07/56/612970756.db2.gz ONYQKOHAKIDECE-ZDUSSCGKSA-N 2 1 254.374 0.461 20 30 CCEDMP C#CCC1([NH2+]C[C@H](O)C[N@H+](C)CCOC)CCC1 ZINC000933296801 612970758 /nfs/dbraw/zinc/97/07/58/612970758.db2.gz ONYQKOHAKIDECE-ZDUSSCGKSA-N 2 1 254.374 0.461 20 30 CCEDMP C#CCC1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCOCC1 ZINC000887122273 612970718 /nfs/dbraw/zinc/97/07/18/612970718.db2.gz QUMGAVKFHYKBKI-AWEZNQCLSA-N 2 1 266.385 0.604 20 30 CCEDMP C#CCC1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCOCC1 ZINC000887122273 612970719 /nfs/dbraw/zinc/97/07/19/612970719.db2.gz QUMGAVKFHYKBKI-AWEZNQCLSA-N 2 1 266.385 0.604 20 30 CCEDMP C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346474 613002322 /nfs/dbraw/zinc/00/23/22/613002322.db2.gz DJWJYSNVBSNDBB-UONOGXRCSA-N 2 1 283.416 0.413 20 30 CCEDMP C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346474 613002324 /nfs/dbraw/zinc/00/23/24/613002324.db2.gz DJWJYSNVBSNDBB-UONOGXRCSA-N 2 1 283.416 0.413 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979066615 613041317 /nfs/dbraw/zinc/04/13/17/613041317.db2.gz AMCRSURSNLUNEA-TUVASFSCSA-N 2 1 275.396 0.255 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979066615 613041318 /nfs/dbraw/zinc/04/13/18/613041318.db2.gz AMCRSURSNLUNEA-TUVASFSCSA-N 2 1 275.396 0.255 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979066615 613041321 /nfs/dbraw/zinc/04/13/21/613041321.db2.gz AMCRSURSNLUNEA-TUVASFSCSA-N 2 1 275.396 0.255 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000960576201 613043470 /nfs/dbraw/zinc/04/34/70/613043470.db2.gz GTICWOCMVZOEFU-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC000960576201 613043471 /nfs/dbraw/zinc/04/34/71/613043471.db2.gz GTICWOCMVZOEFU-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC000960576201 613043472 /nfs/dbraw/zinc/04/34/72/613043472.db2.gz GTICWOCMVZOEFU-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000886364071 613074597 /nfs/dbraw/zinc/07/45/97/613074597.db2.gz NWYJIYZCQYRXLM-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000886364071 613074598 /nfs/dbraw/zinc/07/45/98/613074598.db2.gz NWYJIYZCQYRXLM-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1cc(N)cc[nH+]1 ZINC000891921067 613075688 /nfs/dbraw/zinc/07/56/88/613075688.db2.gz IZBLVKUWGPKUQS-UHFFFAOYSA-N 2 1 275.356 0.418 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000872209651 613078328 /nfs/dbraw/zinc/07/83/28/613078328.db2.gz YMBYCFOKJOFVOZ-LSDHHAIUSA-N 2 1 268.401 0.443 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000872209651 613078330 /nfs/dbraw/zinc/07/83/30/613078330.db2.gz YMBYCFOKJOFVOZ-LSDHHAIUSA-N 2 1 268.401 0.443 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000971687927 613080806 /nfs/dbraw/zinc/08/08/06/613080806.db2.gz QCPGIFIQBVBTJV-CQSZACIVSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971687927 613080808 /nfs/dbraw/zinc/08/08/08/613080808.db2.gz QCPGIFIQBVBTJV-CQSZACIVSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000971687927 613080809 /nfs/dbraw/zinc/08/08/09/613080809.db2.gz QCPGIFIQBVBTJV-CQSZACIVSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)C(C)(C)C ZINC000932461794 613102643 /nfs/dbraw/zinc/10/26/43/613102643.db2.gz INJWBTAMXNCSQZ-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970047965 613116326 /nfs/dbraw/zinc/11/63/26/613116326.db2.gz RGWYJWZJNWLMFB-CYBMUJFWSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970928451 613123938 /nfs/dbraw/zinc/12/39/38/613123938.db2.gz LDXNTZKMZTZWCW-DZGCQCFKSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000970928451 613123939 /nfs/dbraw/zinc/12/39/39/613123939.db2.gz LDXNTZKMZTZWCW-DZGCQCFKSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000897470557 613134013 /nfs/dbraw/zinc/13/40/13/613134013.db2.gz GSFGCGNZNBJBLH-CQSZACIVSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000925434240 613134436 /nfs/dbraw/zinc/13/44/36/613134436.db2.gz ZXQSVSVAGIUZRH-CYBMUJFWSA-N 2 1 264.373 0.087 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000923596080 613166192 /nfs/dbraw/zinc/16/61/92/613166192.db2.gz ZGEAZKQMTSWEGR-GDBMZVCRSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000923596080 613166193 /nfs/dbraw/zinc/16/61/93/613166193.db2.gz ZGEAZKQMTSWEGR-GDBMZVCRSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000923596080 613166194 /nfs/dbraw/zinc/16/61/94/613166194.db2.gz ZGEAZKQMTSWEGR-GDBMZVCRSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000923596080 613166195 /nfs/dbraw/zinc/16/61/95/613166195.db2.gz ZGEAZKQMTSWEGR-GDBMZVCRSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000923596095 613166374 /nfs/dbraw/zinc/16/63/74/613166374.db2.gz ZGEAZKQMTSWEGR-ZBFHGGJFSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000923596095 613166377 /nfs/dbraw/zinc/16/63/77/613166377.db2.gz ZGEAZKQMTSWEGR-ZBFHGGJFSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000923596095 613166380 /nfs/dbraw/zinc/16/63/80/613166380.db2.gz ZGEAZKQMTSWEGR-ZBFHGGJFSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000923596095 613166382 /nfs/dbraw/zinc/16/63/82/613166382.db2.gz ZGEAZKQMTSWEGR-ZBFHGGJFSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000856485906 613196326 /nfs/dbraw/zinc/19/63/26/613196326.db2.gz SQJGRDMREMXNDD-KGLIPLIRSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000856485906 613196327 /nfs/dbraw/zinc/19/63/27/613196327.db2.gz SQJGRDMREMXNDD-KGLIPLIRSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000812339711 613198224 /nfs/dbraw/zinc/19/82/24/613198224.db2.gz CSEFNMWCTLKHDN-ILXRZTDVSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000812339711 613198225 /nfs/dbraw/zinc/19/82/25/613198225.db2.gz CSEFNMWCTLKHDN-ILXRZTDVSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C)CC[C@@H]2C1 ZINC000812339711 613198227 /nfs/dbraw/zinc/19/82/27/613198227.db2.gz CSEFNMWCTLKHDN-ILXRZTDVSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C)CC[C@@H]2C1 ZINC000812339711 613198229 /nfs/dbraw/zinc/19/82/29/613198229.db2.gz CSEFNMWCTLKHDN-ILXRZTDVSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(C)C)C[C@H]21 ZINC000960345706 613202766 /nfs/dbraw/zinc/20/27/66/613202766.db2.gz KZRUFXTZCAHITM-XUWVNRHRSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(C)C)C[C@H]21 ZINC000960345706 613202767 /nfs/dbraw/zinc/20/27/67/613202767.db2.gz KZRUFXTZCAHITM-XUWVNRHRSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(C)C)C[C@H]21 ZINC000960345706 613202768 /nfs/dbraw/zinc/20/27/68/613202768.db2.gz KZRUFXTZCAHITM-XUWVNRHRSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(C)C)C[C@H]21 ZINC000960345706 613202770 /nfs/dbraw/zinc/20/27/70/613202770.db2.gz KZRUFXTZCAHITM-XUWVNRHRSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968548420 613251714 /nfs/dbraw/zinc/25/17/14/613251714.db2.gz GIGUZVBRFPCXEV-UONOGXRCSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968548420 613251716 /nfs/dbraw/zinc/25/17/16/613251716.db2.gz GIGUZVBRFPCXEV-UONOGXRCSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000948052193 613261601 /nfs/dbraw/zinc/26/16/01/613261601.db2.gz BWRDEXHEMRVFID-JSGCOSHPSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000948052193 613261603 /nfs/dbraw/zinc/26/16/03/613261603.db2.gz BWRDEXHEMRVFID-JSGCOSHPSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CCNC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516436 613327629 /nfs/dbraw/zinc/32/76/29/613327629.db2.gz HYYWDCAQQSGJKE-UHFFFAOYSA-N 2 1 265.401 0.934 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000912715415 613363600 /nfs/dbraw/zinc/36/36/00/613363600.db2.gz VXYSELVKUYLRSN-OAHLLOKOSA-N 2 1 295.427 0.552 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000909436590 613363802 /nfs/dbraw/zinc/36/38/02/613363802.db2.gz RHTJWLBTEATKGJ-CYBMUJFWSA-N 2 1 269.389 0.019 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000909436590 613363803 /nfs/dbraw/zinc/36/38/03/613363803.db2.gz RHTJWLBTEATKGJ-CYBMUJFWSA-N 2 1 269.389 0.019 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889745213 613364465 /nfs/dbraw/zinc/36/44/65/613364465.db2.gz RQQPHIZAUUJFMC-LSDHHAIUSA-N 2 1 295.427 0.552 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834595392 613366191 /nfs/dbraw/zinc/36/61/91/613366191.db2.gz XLVQSWACLGRMOC-CHWSQXEVSA-N 2 1 269.364 0.749 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000798282111 613366525 /nfs/dbraw/zinc/36/65/25/613366525.db2.gz GBRGNAQYUIWYRX-GFCCVEGCSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970903209 613482775 /nfs/dbraw/zinc/48/27/75/613482775.db2.gz GWZWBEJJCRUOKX-HIFRSBDPSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970903209 613482776 /nfs/dbraw/zinc/48/27/76/613482776.db2.gz GWZWBEJJCRUOKX-HIFRSBDPSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970876221 613485943 /nfs/dbraw/zinc/48/59/43/613485943.db2.gz DFQNMECQIODMGU-QWHCGFSZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000958415210 613565218 /nfs/dbraw/zinc/56/52/18/613565218.db2.gz QZSACERWONTDCP-RQJABVFESA-N 2 1 263.385 0.703 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958415210 613565219 /nfs/dbraw/zinc/56/52/19/613565219.db2.gz QZSACERWONTDCP-RQJABVFESA-N 2 1 263.385 0.703 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958415210 613565220 /nfs/dbraw/zinc/56/52/20/613565220.db2.gz QZSACERWONTDCP-RQJABVFESA-N 2 1 263.385 0.703 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980407509 613612128 /nfs/dbraw/zinc/61/21/28/613612128.db2.gz YXJCSUCTBNGKBF-CYBMUJFWSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC000905096267 613675793 /nfs/dbraw/zinc/67/57/93/613675793.db2.gz LKBSOOSXPLYRMV-ZDUSSCGKSA-N 2 1 254.374 0.502 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000980833790 613691395 /nfs/dbraw/zinc/69/13/95/613691395.db2.gz JOFDHIHWKYXPOV-ZDUSSCGKSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000980833790 613691397 /nfs/dbraw/zinc/69/13/97/613691397.db2.gz JOFDHIHWKYXPOV-ZDUSSCGKSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980833790 613691399 /nfs/dbraw/zinc/69/13/99/613691399.db2.gz JOFDHIHWKYXPOV-ZDUSSCGKSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980833790 613691400 /nfs/dbraw/zinc/69/14/00/613691400.db2.gz JOFDHIHWKYXPOV-ZDUSSCGKSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000981960048 613694427 /nfs/dbraw/zinc/69/44/27/613694427.db2.gz RKTOPNBNHIINET-KBPBESRZSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981960048 613694428 /nfs/dbraw/zinc/69/44/28/613694428.db2.gz RKTOPNBNHIINET-KBPBESRZSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981960048 613694429 /nfs/dbraw/zinc/69/44/29/613694429.db2.gz RKTOPNBNHIINET-KBPBESRZSA-N 2 1 265.401 0.904 20 30 CCEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801457 614327235 /nfs/dbraw/zinc/32/72/35/614327235.db2.gz CWWRLEBIDVVOPD-GHMZBOCLSA-N 2 1 261.329 0.234 20 30 CCEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000932178411 614351745 /nfs/dbraw/zinc/35/17/45/614351745.db2.gz LOOFAYJNSKFSKQ-ZDUSSCGKSA-N 2 1 278.400 0.963 20 30 CCEDMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834484494 614906799 /nfs/dbraw/zinc/90/67/99/614906799.db2.gz JQRAMWRCXDNDMZ-CHWSQXEVSA-N 2 1 266.389 0.726 20 30 CCEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](O)CC#N)C1 ZINC000929771172 614999088 /nfs/dbraw/zinc/99/90/88/614999088.db2.gz LODHXQWMKKTCHV-KGLIPLIRSA-N 2 1 269.389 0.694 20 30 CCEDMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843459976 615779534 /nfs/dbraw/zinc/77/95/34/615779534.db2.gz JXVQVGSFPVVAQJ-IJLUTSLNSA-N 2 1 275.356 0.624 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000913524554 615857427 /nfs/dbraw/zinc/85/74/27/615857427.db2.gz RBHUPPNQOCGWPN-UHFFFAOYSA-N 2 1 287.407 0.842 20 30 CCEDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H](O)CC#N)C1 ZINC000929762011 616059691 /nfs/dbraw/zinc/05/96/91/616059691.db2.gz BGHFPDKWLOWUTE-UONOGXRCSA-N 2 1 251.374 0.925 20 30 CCEDMP C[N@@H+](CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1CC1 ZINC000884201154 616090869 /nfs/dbraw/zinc/09/08/69/616090869.db2.gz RFTSMKBGBXCBPF-MQYJIDSJSA-N 2 1 276.384 0.336 20 30 CCEDMP C[N@H+](C[C@@H](O)C[NH2+]CCNc1ccc(C#N)cn1)C1CC1 ZINC000818952733 616131382 /nfs/dbraw/zinc/13/13/82/616131382.db2.gz WLIDPVXNQJJWRH-AWEZNQCLSA-N 2 1 289.383 0.410 20 30 CCEDMP C[N@@H+](C[C@@H](O)C[NH2+]CCNc1ccc(C#N)cn1)C1CC1 ZINC000818952733 616131384 /nfs/dbraw/zinc/13/13/84/616131384.db2.gz WLIDPVXNQJJWRH-AWEZNQCLSA-N 2 1 289.383 0.410 20 30 CCEDMP C[N@@H+](CC(=O)NC1(C#N)CC[NH+](C)CC1)C1CCC1 ZINC000863858240 616166112 /nfs/dbraw/zinc/16/61/12/616166112.db2.gz QFOICWWSSIYBGU-UHFFFAOYSA-N 2 1 264.373 0.575 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(C)C)C1 ZINC001020251401 625294137 /nfs/dbraw/zinc/29/41/37/625294137.db2.gz KYBDOIQKAMJUNK-KKUMJFAQSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(C)C)C1 ZINC001020251401 625294148 /nfs/dbraw/zinc/29/41/48/625294148.db2.gz KYBDOIQKAMJUNK-KKUMJFAQSA-N 2 1 277.412 0.977 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001026043658 625326172 /nfs/dbraw/zinc/32/61/72/625326172.db2.gz ADKDYSBMJOYULQ-BTFPBAQTSA-N 2 1 277.412 0.807 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026043658 625326175 /nfs/dbraw/zinc/32/61/75/625326175.db2.gz ADKDYSBMJOYULQ-BTFPBAQTSA-N 2 1 277.412 0.807 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026043658 625326178 /nfs/dbraw/zinc/32/61/78/625326178.db2.gz ADKDYSBMJOYULQ-BTFPBAQTSA-N 2 1 277.412 0.807 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023115768 622913861 /nfs/dbraw/zinc/91/38/61/622913861.db2.gz WABWPEPHEIOKBP-FRRDWIJNSA-N 2 1 267.373 0.130 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023115768 622913865 /nfs/dbraw/zinc/91/38/65/622913865.db2.gz WABWPEPHEIOKBP-FRRDWIJNSA-N 2 1 267.373 0.130 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001023274185 622974379 /nfs/dbraw/zinc/97/43/79/622974379.db2.gz UWVQQWKFLLGDBW-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292192 622982880 /nfs/dbraw/zinc/98/28/80/622982880.db2.gz RALNPFDYADKOSH-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292192 622982889 /nfs/dbraw/zinc/98/28/89/622982889.db2.gz RALNPFDYADKOSH-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023292192 622982897 /nfs/dbraw/zinc/98/28/97/622982897.db2.gz RALNPFDYADKOSH-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023292192 622982917 /nfs/dbraw/zinc/98/29/17/622982917.db2.gz RALNPFDYADKOSH-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023291818 622984399 /nfs/dbraw/zinc/98/43/99/622984399.db2.gz KYPOYEGKLZGUHR-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023291818 622984404 /nfs/dbraw/zinc/98/44/04/622984404.db2.gz KYPOYEGKLZGUHR-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023291818 622984408 /nfs/dbraw/zinc/98/44/08/622984408.db2.gz KYPOYEGKLZGUHR-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023291818 622984414 /nfs/dbraw/zinc/98/44/14/622984414.db2.gz KYPOYEGKLZGUHR-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023750012 623128347 /nfs/dbraw/zinc/12/83/47/623128347.db2.gz FCGSMJONJOCHFE-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023750012 623128356 /nfs/dbraw/zinc/12/83/56/623128356.db2.gz FCGSMJONJOCHFE-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023750012 623128368 /nfs/dbraw/zinc/12/83/68/623128368.db2.gz FCGSMJONJOCHFE-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001024376046 623302002 /nfs/dbraw/zinc/30/20/02/623302002.db2.gz XWAORQZCXQTGSE-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001024376046 623302007 /nfs/dbraw/zinc/30/20/07/623302007.db2.gz XWAORQZCXQTGSE-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024376046 623302013 /nfs/dbraw/zinc/30/20/13/623302013.db2.gz XWAORQZCXQTGSE-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024376046 623302017 /nfs/dbraw/zinc/30/20/17/623302017.db2.gz XWAORQZCXQTGSE-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001024801293 623448018 /nfs/dbraw/zinc/44/80/18/623448018.db2.gz MFNCPALKQMANPP-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001024801293 623448024 /nfs/dbraw/zinc/44/80/24/623448024.db2.gz MFNCPALKQMANPP-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001000000790 625810243 /nfs/dbraw/zinc/81/02/43/625810243.db2.gz RGIRDDKFGPYUMT-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001000000790 625810244 /nfs/dbraw/zinc/81/02/44/625810244.db2.gz RGIRDDKFGPYUMT-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001027435668 625881107 /nfs/dbraw/zinc/88/11/07/625881107.db2.gz IGOVDMDUDFNCFV-CQSZACIVSA-N 2 1 274.368 0.898 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001027435668 625881110 /nfs/dbraw/zinc/88/11/10/625881110.db2.gz IGOVDMDUDFNCFV-CQSZACIVSA-N 2 1 274.368 0.898 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615789 630804375 /nfs/dbraw/zinc/80/43/75/630804375.db2.gz ZWGHYXIYUQLYNR-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615789 630804379 /nfs/dbraw/zinc/80/43/79/630804379.db2.gz ZWGHYXIYUQLYNR-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027805448 630933300 /nfs/dbraw/zinc/93/33/00/630933300.db2.gz SNHFIZUGFSEYMO-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027805448 630933306 /nfs/dbraw/zinc/93/33/06/630933306.db2.gz SNHFIZUGFSEYMO-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027805448 630933313 /nfs/dbraw/zinc/93/33/13/630933313.db2.gz SNHFIZUGFSEYMO-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027805448 630933321 /nfs/dbraw/zinc/93/33/21/630933321.db2.gz SNHFIZUGFSEYMO-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC000989187674 633167484 /nfs/dbraw/zinc/16/74/84/633167484.db2.gz MZKUFRRXVSEUCE-AAEUAGOBSA-N 2 1 262.357 0.957 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000989450803 633273280 /nfs/dbraw/zinc/27/32/80/633273280.db2.gz PYITVUJGAOMAMQ-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001009205562 650140182 /nfs/dbraw/zinc/14/01/82/650140182.db2.gz APZNJYSWNYXLAE-ZDUSSCGKSA-N 2 1 274.368 0.567 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001009595920 650151153 /nfs/dbraw/zinc/15/11/53/650151153.db2.gz QWMUKWNDTMBWSD-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001009595920 650151154 /nfs/dbraw/zinc/15/11/54/650151154.db2.gz QWMUKWNDTMBWSD-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009595920 650151155 /nfs/dbraw/zinc/15/11/55/650151155.db2.gz QWMUKWNDTMBWSD-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009595920 650151156 /nfs/dbraw/zinc/15/11/56/650151156.db2.gz QWMUKWNDTMBWSD-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccoc1 ZINC000170904478 637103928 /nfs/dbraw/zinc/10/39/28/637103928.db2.gz PVKVTLJQUJWQSS-UHFFFAOYSA-N 2 1 266.345 0.406 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)Cn3cncc3C)CCC[C@@H]12 ZINC000991864122 637104279 /nfs/dbraw/zinc/10/42/79/637104279.db2.gz UOXINTLXGBAKQK-GDBMZVCRSA-N 2 1 286.379 0.938 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991864122 637104284 /nfs/dbraw/zinc/10/42/84/637104284.db2.gz UOXINTLXGBAKQK-GDBMZVCRSA-N 2 1 286.379 0.938 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995551903 638776240 /nfs/dbraw/zinc/77/62/40/638776240.db2.gz OTZQTBPRXBEUPL-STQMWFEESA-N 2 1 263.385 0.540 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995588913 638779603 /nfs/dbraw/zinc/77/96/03/638779603.db2.gz MILLVLLADKOZNU-CHWSQXEVSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995588913 638779607 /nfs/dbraw/zinc/77/96/07/638779607.db2.gz MILLVLLADKOZNU-CHWSQXEVSA-N 2 1 281.400 0.330 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995605740 638780647 /nfs/dbraw/zinc/78/06/47/638780647.db2.gz ONUDFOGNUFCERR-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995605740 638780650 /nfs/dbraw/zinc/78/06/50/638780650.db2.gz ONUDFOGNUFCERR-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996301198 638815101 /nfs/dbraw/zinc/81/51/01/638815101.db2.gz RVSQZZDBJPCCTR-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998827129 638944582 /nfs/dbraw/zinc/94/45/82/638944582.db2.gz QOKHHZMYVHWTOA-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998827129 638944584 /nfs/dbraw/zinc/94/45/84/638944584.db2.gz QOKHHZMYVHWTOA-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001014727491 650482476 /nfs/dbraw/zinc/48/24/76/650482476.db2.gz IMKSYYJACJXVNJ-STQMWFEESA-N 2 1 272.352 0.584 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001014727491 650482478 /nfs/dbraw/zinc/48/24/78/650482478.db2.gz IMKSYYJACJXVNJ-STQMWFEESA-N 2 1 272.352 0.584 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334181 650556291 /nfs/dbraw/zinc/55/62/91/650556291.db2.gz GYWDFQXIRFLVFL-MYMJJRTCSA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015334181 650556294 /nfs/dbraw/zinc/55/62/94/650556294.db2.gz GYWDFQXIRFLVFL-MYMJJRTCSA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015334181 650556299 /nfs/dbraw/zinc/55/62/99/650556299.db2.gz GYWDFQXIRFLVFL-MYMJJRTCSA-N 2 1 291.395 0.226 20 30 CCEDMP C[NH+]=C(NC[C@@H](C)CN1CC[NH+](C)CC1)NC1CC1 ZINC000303390523 649818219 /nfs/dbraw/zinc/81/82/19/649818219.db2.gz DGLIUVAVVSHWIU-GFCCVEGCSA-N 2 1 267.421 0.197 20 30 CCEDMP C[C@@H]1C[N@H+](CCCNC(=[NH2+])N2CCOCC2)C[C@H](C)O1 ZINC000303792008 649825506 /nfs/dbraw/zinc/82/55/06/649825506.db2.gz YCBBRHMTOHVRQR-BETUJISGSA-N 2 1 284.404 0.133 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1cccn1 ZINC000303886733 649826206 /nfs/dbraw/zinc/82/62/06/649826206.db2.gz NXXGRCSSVCMZHY-GFCCVEGCSA-N 2 1 264.377 0.272 20 30 CCEDMP CC[N@@H+](CCNC(=[NH2+])NC[C@H]1CCC[NH+]1CC)C1CC1 ZINC000303971360 649827193 /nfs/dbraw/zinc/82/71/93/649827193.db2.gz DLSRXGOBPOVAOD-CQSZACIVSA-N 3 1 281.448 0.859 20 30 CCEDMP CC[NH+](CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)C1CC1 ZINC000303971360 649827194 /nfs/dbraw/zinc/82/71/94/649827194.db2.gz DLSRXGOBPOVAOD-CQSZACIVSA-N 3 1 281.448 0.859 20 30 CCEDMP CC[NH+](CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)C1CC1 ZINC000303971360 649827195 /nfs/dbraw/zinc/82/71/95/649827195.db2.gz DLSRXGOBPOVAOD-CQSZACIVSA-N 3 1 281.448 0.859 20 30 CCEDMP CCN(CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)C1CC1 ZINC000303971360 649827196 /nfs/dbraw/zinc/82/71/96/649827196.db2.gz DLSRXGOBPOVAOD-CQSZACIVSA-N 2 1 281.448 0.859 20 30 CCEDMP CCN(CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)C1CC1 ZINC000303971360 649827197 /nfs/dbraw/zinc/82/71/97/649827197.db2.gz DLSRXGOBPOVAOD-CQSZACIVSA-N 2 1 281.448 0.859 20 30 CCEDMP C#CCC[N@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001266609491 791019804 /nfs/dbraw/zinc/01/98/04/791019804.db2.gz OSEQTLQZMDLNOA-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267041880 791473922 /nfs/dbraw/zinc/47/39/22/791473922.db2.gz SRMFWFLFBVHNIL-SOUVJXGZSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083247881 791616856 /nfs/dbraw/zinc/61/68/56/791616856.db2.gz ICMDKSLEXXWFIS-SOUVJXGZSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083247881 791616863 /nfs/dbraw/zinc/61/68/63/791616863.db2.gz ICMDKSLEXXWFIS-SOUVJXGZSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247881 791616869 /nfs/dbraw/zinc/61/68/69/791616869.db2.gz ICMDKSLEXXWFIS-SOUVJXGZSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247881 791616876 /nfs/dbraw/zinc/61/68/76/791616876.db2.gz ICMDKSLEXXWFIS-SOUVJXGZSA-N 2 1 293.411 0.426 20 30 CCEDMP COc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(C#N)c1 ZINC001234983165 806328515 /nfs/dbraw/zinc/32/85/15/806328515.db2.gz UBXONBBREKNVHX-INIZCTEOSA-N 2 1 286.379 0.704 20 30 CCEDMP N#CCCCN1C[C@@H]2[C@H](C1)OCCN2CCn1ccnc1 ZINC001277945019 806421592 /nfs/dbraw/zinc/42/15/92/806421592.db2.gz JNESNPSUKCTSAZ-CABCVRRESA-N 2 1 289.383 0.572 20 30 CCEDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CCCC#N)C[C@H]21 ZINC001277945333 806424842 /nfs/dbraw/zinc/42/48/42/806424842.db2.gz WTEXOHZKUHQNPR-KGLIPLIRSA-N 2 1 266.389 0.237 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC#CCOC ZINC001277974797 806510221 /nfs/dbraw/zinc/51/02/21/806510221.db2.gz XLCREJWTHAIICQ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001278078571 806653584 /nfs/dbraw/zinc/65/35/84/806653584.db2.gz XLKRTILQRXZYOA-ZIAGYGMSSA-N 2 1 283.416 0.502 20 30 CCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001278106436 806676914 /nfs/dbraw/zinc/67/69/14/806676914.db2.gz ZEFOPEIBTFVLHV-GJZGRUSLSA-N 2 1 295.427 0.197 20 30 CCEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001278227326 806780756 /nfs/dbraw/zinc/78/07/56/806780756.db2.gz YPOZBFACMRLPMD-CABCVRRESA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001278227326 806780757 /nfs/dbraw/zinc/78/07/57/806780757.db2.gz YPOZBFACMRLPMD-CABCVRRESA-N 2 1 295.427 0.768 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240060 800324403 /nfs/dbraw/zinc/32/44/03/800324403.db2.gz AXMFEJJHTATLSY-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291811 800330077 /nfs/dbraw/zinc/33/00/77/800330077.db2.gz NYOBKTNUJAMQSK-HUUCEWRRSA-N 2 1 295.427 0.413 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291811 800330081 /nfs/dbraw/zinc/33/00/81/800330081.db2.gz NYOBKTNUJAMQSK-HUUCEWRRSA-N 2 1 295.427 0.413 20 30 CCEDMP C=C(Br)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439595 800521367 /nfs/dbraw/zinc/52/13/67/800521367.db2.gz OROYKOMPHGOAOE-UHFFFAOYSA-N 2 1 292.221 0.941 20 30 CCEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998149 800700992 /nfs/dbraw/zinc/70/09/92/800700992.db2.gz KUBQOFLRUKELSQ-MGPQQGTHSA-N 2 1 281.400 0.165 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998149 800700995 /nfs/dbraw/zinc/70/09/95/800700995.db2.gz KUBQOFLRUKELSQ-MGPQQGTHSA-N 2 1 281.400 0.165 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998149 800700996 /nfs/dbraw/zinc/70/09/96/800700996.db2.gz KUBQOFLRUKELSQ-MGPQQGTHSA-N 2 1 281.400 0.165 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998149 800700999 /nfs/dbraw/zinc/70/09/99/800700999.db2.gz KUBQOFLRUKELSQ-MGPQQGTHSA-N 2 1 281.400 0.165 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001156058423 801103293 /nfs/dbraw/zinc/10/32/93/801103293.db2.gz YBWKGSXEXOQDJJ-CQSZACIVSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390468 801160382 /nfs/dbraw/zinc/16/03/82/801160382.db2.gz NIGITNINZDKCDX-CQSZACIVSA-N 2 1 283.416 0.415 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160858167 802034643 /nfs/dbraw/zinc/03/46/43/802034643.db2.gz YWALNPQWUZALJL-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160858167 802034650 /nfs/dbraw/zinc/03/46/50/802034650.db2.gz YWALNPQWUZALJL-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872638 802431730 /nfs/dbraw/zinc/43/17/30/802431730.db2.gz ZBAOIQXMPVDRPU-NPCAHTBFSA-N 2 1 293.411 0.522 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007725 811804072 /nfs/dbraw/zinc/80/40/72/811804072.db2.gz DTPNTHGPSPIKEW-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166694065 802941411 /nfs/dbraw/zinc/94/14/11/802941411.db2.gz VCXZQDODDXYWTO-CHWSQXEVSA-N 2 1 253.390 0.856 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166744138 802955790 /nfs/dbraw/zinc/95/57/90/802955790.db2.gz JLQFOSNITVUMJZ-UHFFFAOYSA-N 2 1 253.390 0.693 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c([O-])c1 ZINC001205725410 803165419 /nfs/dbraw/zinc/16/54/19/803165419.db2.gz HACGVGJHJNMDLA-OAHLLOKOSA-N 2 1 275.352 0.940 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)c1 ZINC001205725410 803165425 /nfs/dbraw/zinc/16/54/25/803165425.db2.gz HACGVGJHJNMDLA-OAHLLOKOSA-N 2 1 275.352 0.940 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)c1 ZINC001205725410 803165429 /nfs/dbraw/zinc/16/54/29/803165429.db2.gz HACGVGJHJNMDLA-OAHLLOKOSA-N 2 1 275.352 0.940 20 30 CCEDMP C=CCc1cccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206468903 803249369 /nfs/dbraw/zinc/24/93/69/803249369.db2.gz LVXLGFRNWCAGSN-UONOGXRCSA-N 2 1 262.353 0.872 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207641303 803428210 /nfs/dbraw/zinc/42/82/10/803428210.db2.gz GAGYMVSRUOYONO-MCIONIFRSA-N 2 1 265.401 0.642 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207702916 803438792 /nfs/dbraw/zinc/43/87/92/803438792.db2.gz ALNBZQKIEIICKM-JHJVBQTASA-N 2 1 251.374 0.396 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411599 803512893 /nfs/dbraw/zinc/51/28/93/803512893.db2.gz YHCHINHEUOMBGE-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411599 803512895 /nfs/dbraw/zinc/51/28/95/803512895.db2.gz YHCHINHEUOMBGE-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208445142 803514267 /nfs/dbraw/zinc/51/42/67/803514267.db2.gz TWGKAMONYPNTCW-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211276417 803675813 /nfs/dbraw/zinc/67/58/13/803675813.db2.gz GGRQIDDYSPKKSL-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000402198567 803817881 /nfs/dbraw/zinc/81/78/81/803817881.db2.gz IFRMLFZZHPLWOP-AWEZNQCLSA-N 2 1 275.352 0.721 20 30 CCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218543698 803997186 /nfs/dbraw/zinc/99/71/86/803997186.db2.gz VSXAGFPGUKLMPS-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218543698 803997190 /nfs/dbraw/zinc/99/71/90/803997190.db2.gz VSXAGFPGUKLMPS-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830508 804429558 /nfs/dbraw/zinc/42/95/58/804429558.db2.gz YJXGLCPEFFLNLU-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830508 804429561 /nfs/dbraw/zinc/42/95/61/804429561.db2.gz YJXGLCPEFFLNLU-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830508 804429565 /nfs/dbraw/zinc/42/95/65/804429565.db2.gz YJXGLCPEFFLNLU-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220290230 804564565 /nfs/dbraw/zinc/56/45/65/804564565.db2.gz SLVHGIPFBHGEGU-HZSPNIEDSA-N 2 1 283.416 0.310 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220376376 804585504 /nfs/dbraw/zinc/58/55/04/804585504.db2.gz XTOOCIVSHOCNIB-AGIUHOORSA-N 2 1 269.389 0.064 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220376376 804585508 /nfs/dbraw/zinc/58/55/08/804585508.db2.gz XTOOCIVSHOCNIB-AGIUHOORSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755138 804660620 /nfs/dbraw/zinc/66/06/20/804660620.db2.gz DOTXQCZNXSWHPK-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755138 804660624 /nfs/dbraw/zinc/66/06/24/804660624.db2.gz DOTXQCZNXSWHPK-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755138 804660627 /nfs/dbraw/zinc/66/06/27/804660627.db2.gz DOTXQCZNXSWHPK-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC#CC[NH+](C)C ZINC001221437540 804816132 /nfs/dbraw/zinc/81/61/32/804816132.db2.gz WEVGZYHHGAEYCL-CABCVRRESA-N 2 1 294.443 0.971 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225526008 805138703 /nfs/dbraw/zinc/13/87/03/805138703.db2.gz WFFFOKHNXNRSRD-KFWWJZLASA-N 2 1 295.427 0.910 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225526008 805138710 /nfs/dbraw/zinc/13/87/10/805138710.db2.gz WFFFOKHNXNRSRD-KFWWJZLASA-N 2 1 295.427 0.910 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCCN(C)C1 ZINC001246307811 807217231 /nfs/dbraw/zinc/21/72/31/807217231.db2.gz OQFSFYWSHAUQLX-KGLIPLIRSA-N 2 1 283.416 0.897 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001278608692 807620623 /nfs/dbraw/zinc/62/06/23/807620623.db2.gz OYOABMIDCXOJDI-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CCOC[C@@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001251858360 807724920 /nfs/dbraw/zinc/72/49/20/807724920.db2.gz WKBHFVOWGHSNGY-LSDHHAIUSA-N 2 1 290.363 0.854 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001251858360 807724924 /nfs/dbraw/zinc/72/49/24/807724924.db2.gz WKBHFVOWGHSNGY-LSDHHAIUSA-N 2 1 290.363 0.854 20 30 CCEDMP C=CCOC[C@H](O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001252464319 807875229 /nfs/dbraw/zinc/87/52/29/807875229.db2.gz WXBDNUSRCYQYAO-HZSPNIEDSA-N 2 1 254.374 0.433 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001252464319 807875236 /nfs/dbraw/zinc/87/52/36/807875236.db2.gz WXBDNUSRCYQYAO-HZSPNIEDSA-N 2 1 254.374 0.433 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001252464319 807875244 /nfs/dbraw/zinc/87/52/44/807875244.db2.gz WXBDNUSRCYQYAO-HZSPNIEDSA-N 2 1 254.374 0.433 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001252468371 807878701 /nfs/dbraw/zinc/87/87/01/807878701.db2.gz NHCCTGWJDOSAST-AWEZNQCLSA-N 2 1 256.390 0.966 20 30 CCEDMP C=CCOC[C@@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001252468371 807878710 /nfs/dbraw/zinc/87/87/10/807878710.db2.gz NHCCTGWJDOSAST-AWEZNQCLSA-N 2 1 256.390 0.966 20 30 CCEDMP C=CCOC[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001252470377 807881713 /nfs/dbraw/zinc/88/17/13/807881713.db2.gz KITXKWORDZMIMB-KGLIPLIRSA-N 2 1 254.374 0.578 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001252470377 807881716 /nfs/dbraw/zinc/88/17/16/807881716.db2.gz KITXKWORDZMIMB-KGLIPLIRSA-N 2 1 254.374 0.578 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001252470377 807881723 /nfs/dbraw/zinc/88/17/23/807881723.db2.gz KITXKWORDZMIMB-KGLIPLIRSA-N 2 1 254.374 0.578 20 30 CCEDMP C=C[C@@](C)(O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252560310 807910614 /nfs/dbraw/zinc/91/06/14/807910614.db2.gz QXVDYUYNOKZVGP-CQSZACIVSA-N 2 1 269.389 0.019 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001278803923 808274676 /nfs/dbraw/zinc/27/46/76/808274676.db2.gz JJPOHJXXQZJEAP-KBPBESRZSA-N 2 1 283.416 0.313 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088814996 815194426 /nfs/dbraw/zinc/19/44/26/815194426.db2.gz SXLPRDPPFBEHIQ-ILXRZTDVSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088814996 815194430 /nfs/dbraw/zinc/19/44/30/815194430.db2.gz SXLPRDPPFBEHIQ-ILXRZTDVSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088814996 815194434 /nfs/dbraw/zinc/19/44/34/815194434.db2.gz SXLPRDPPFBEHIQ-ILXRZTDVSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088814996 815194437 /nfs/dbraw/zinc/19/44/37/815194437.db2.gz SXLPRDPPFBEHIQ-ILXRZTDVSA-N 2 1 295.427 0.861 20 30 CCEDMP C#CCN1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524231 815211342 /nfs/dbraw/zinc/21/13/42/815211342.db2.gz MYWQIYPIQXTXPU-KFWWJZLASA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524231 815211347 /nfs/dbraw/zinc/21/13/47/815211347.db2.gz MYWQIYPIQXTXPU-KFWWJZLASA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524231 815211349 /nfs/dbraw/zinc/21/13/49/815211349.db2.gz MYWQIYPIQXTXPU-KFWWJZLASA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524231 815211354 /nfs/dbraw/zinc/21/13/54/815211354.db2.gz MYWQIYPIQXTXPU-KFWWJZLASA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524231 815211358 /nfs/dbraw/zinc/21/13/58/815211358.db2.gz MYWQIYPIQXTXPU-KFWWJZLASA-N 2 1 293.411 0.044 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524117 815211375 /nfs/dbraw/zinc/21/13/75/815211375.db2.gz IKWRQEMJZQWFEQ-KFWWJZLASA-N 2 1 295.427 0.597 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524117 815211379 /nfs/dbraw/zinc/21/13/79/815211379.db2.gz IKWRQEMJZQWFEQ-KFWWJZLASA-N 2 1 295.427 0.597 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524117 815211382 /nfs/dbraw/zinc/21/13/82/815211382.db2.gz IKWRQEMJZQWFEQ-KFWWJZLASA-N 2 1 295.427 0.597 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524117 815211390 /nfs/dbraw/zinc/21/13/90/815211390.db2.gz IKWRQEMJZQWFEQ-KFWWJZLASA-N 2 1 295.427 0.597 20 30 CCEDMP N#CC1CCC([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001256950924 808572415 /nfs/dbraw/zinc/57/24/15/808572415.db2.gz RHPTYSABUOKBNZ-UHFFFAOYSA-N 2 1 269.389 0.335 20 30 CCEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)Cc2cnc[nH]2)CC1 ZINC001279096794 808682797 /nfs/dbraw/zinc/68/27/97/808682797.db2.gz HSFVMQKLBFNVEY-GFCCVEGCSA-N 2 1 274.368 0.802 20 30 CCEDMP C#CCNCC(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC001263101231 809442771 /nfs/dbraw/zinc/44/27/71/809442771.db2.gz MHPIOPHBQSKTRG-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[NH2+]CC(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC001263101231 809442779 /nfs/dbraw/zinc/44/27/79/809442779.db2.gz MHPIOPHBQSKTRG-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[NH2+]CC(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC001263101231 809442783 /nfs/dbraw/zinc/44/27/83/809442783.db2.gz MHPIOPHBQSKTRG-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP COCC#CC[N@@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265058140 809701767 /nfs/dbraw/zinc/70/17/67/809701767.db2.gz JYTDPMUFJZBIHJ-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP COCC#CC[NH+](C)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001265058140 809701773 /nfs/dbraw/zinc/70/17/73/809701773.db2.gz JYTDPMUFJZBIHJ-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP COCC#CC[NH+](C)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001265058140 809701777 /nfs/dbraw/zinc/70/17/77/809701777.db2.gz JYTDPMUFJZBIHJ-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001265259923 809734965 /nfs/dbraw/zinc/73/49/65/809734965.db2.gz QCXCBYTXLNHVID-OAHLLOKOSA-N 2 1 294.443 0.391 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001076571601 815313925 /nfs/dbraw/zinc/31/39/25/815313925.db2.gz PQHAENBZUOQIJA-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001076571601 815313930 /nfs/dbraw/zinc/31/39/30/815313930.db2.gz PQHAENBZUOQIJA-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001265401271 809772894 /nfs/dbraw/zinc/77/28/94/809772894.db2.gz OXBZRCYULCQYRL-CQSZACIVSA-N 2 1 274.368 0.687 20 30 CCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001265785742 809852244 /nfs/dbraw/zinc/85/22/44/809852244.db2.gz GWPCVZWIOTUADW-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[N@H+](CCCNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001266169177 809953273 /nfs/dbraw/zinc/95/32/73/809953273.db2.gz SGAYQUKXIKHIOH-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(C)C ZINC001267386708 811269249 /nfs/dbraw/zinc/26/92/49/811269249.db2.gz RLKGMIBJXXSYJG-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(C)C ZINC001267386708 811269252 /nfs/dbraw/zinc/26/92/52/811269252.db2.gz RLKGMIBJXXSYJG-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP CC[C@@H](C(=O)NCC1C[NH+](CC#CCOC)C1)[NH+](C)C ZINC001267693412 811659269 /nfs/dbraw/zinc/65/92/69/811659269.db2.gz DWDPDYXENVTYMC-AWEZNQCLSA-N 2 1 281.400 0.024 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267726184 811693253 /nfs/dbraw/zinc/69/32/53/811693253.db2.gz VLJBPWIVAVLURW-AWEZNQCLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001267769900 811767471 /nfs/dbraw/zinc/76/74/71/811767471.db2.gz DWPLNZDICDSVQM-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027891904 812124608 /nfs/dbraw/zinc/12/46/08/812124608.db2.gz KNQMMEISDWKWOK-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027891904 812124613 /nfs/dbraw/zinc/12/46/13/812124613.db2.gz KNQMMEISDWKWOK-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027891904 812124615 /nfs/dbraw/zinc/12/46/15/812124615.db2.gz KNQMMEISDWKWOK-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966611 812173742 /nfs/dbraw/zinc/17/37/42/812173742.db2.gz RWOBVUSBATZANF-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966611 812173746 /nfs/dbraw/zinc/17/37/46/812173746.db2.gz RWOBVUSBATZANF-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966611 812173750 /nfs/dbraw/zinc/17/37/50/812173750.db2.gz RWOBVUSBATZANF-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966611 812173754 /nfs/dbraw/zinc/17/37/54/812173754.db2.gz RWOBVUSBATZANF-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001268226194 812382289 /nfs/dbraw/zinc/38/22/89/812382289.db2.gz FEQYVYGVASINOW-CHWSQXEVSA-N 2 1 251.374 0.302 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075619637 812474141 /nfs/dbraw/zinc/47/41/41/812474141.db2.gz KIENXJALHARWLM-RRFJBIMHSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075619637 812474146 /nfs/dbraw/zinc/47/41/46/812474146.db2.gz KIENXJALHARWLM-RRFJBIMHSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075619637 812474148 /nfs/dbraw/zinc/47/41/48/812474148.db2.gz KIENXJALHARWLM-RRFJBIMHSA-N 2 1 275.396 0.637 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028263318 812529497 /nfs/dbraw/zinc/52/94/97/812529497.db2.gz OMGPFEDZLVAABA-ZDUSSCGKSA-N 2 1 263.385 0.849 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028316626 812615219 /nfs/dbraw/zinc/61/52/19/812615219.db2.gz SCDVGZWMPMOTLP-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028316626 812615223 /nfs/dbraw/zinc/61/52/23/812615223.db2.gz SCDVGZWMPMOTLP-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028316626 812615226 /nfs/dbraw/zinc/61/52/26/812615226.db2.gz SCDVGZWMPMOTLP-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028462117 812728627 /nfs/dbraw/zinc/72/86/27/812728627.db2.gz YFYYXZVHGLTIBH-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028462117 812728632 /nfs/dbraw/zinc/72/86/32/812728632.db2.gz YFYYXZVHGLTIBH-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028462117 812728636 /nfs/dbraw/zinc/72/86/36/812728636.db2.gz YFYYXZVHGLTIBH-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028462117 812728639 /nfs/dbraw/zinc/72/86/39/812728639.db2.gz YFYYXZVHGLTIBH-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC#CC)C1 ZINC001028603987 812964534 /nfs/dbraw/zinc/96/45/34/812964534.db2.gz NNYKUSVJNKQRAX-HOTGVXAUSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC#CC)C1 ZINC001028603987 812964541 /nfs/dbraw/zinc/96/45/41/812964541.db2.gz NNYKUSVJNKQRAX-HOTGVXAUSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC#CC)C1 ZINC001028603987 812964547 /nfs/dbraw/zinc/96/45/47/812964547.db2.gz NNYKUSVJNKQRAX-HOTGVXAUSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC#CC)C1 ZINC001028603987 812964553 /nfs/dbraw/zinc/96/45/53/812964553.db2.gz NNYKUSVJNKQRAX-HOTGVXAUSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001268674797 812995916 /nfs/dbraw/zinc/99/59/16/812995916.db2.gz ZQRJFEAFMDGGRR-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCOC ZINC001268734102 813050466 /nfs/dbraw/zinc/05/04/66/813050466.db2.gz RRJHHINCQYZGJX-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCOC ZINC001268734102 813050471 /nfs/dbraw/zinc/05/04/71/813050471.db2.gz RRJHHINCQYZGJX-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCOC ZINC001268734102 813050474 /nfs/dbraw/zinc/05/04/74/813050474.db2.gz RRJHHINCQYZGJX-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCCOC ZINC001268734102 813050482 /nfs/dbraw/zinc/05/04/82/813050482.db2.gz RRJHHINCQYZGJX-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCCOC ZINC001268734102 813050490 /nfs/dbraw/zinc/05/04/90/813050490.db2.gz RRJHHINCQYZGJX-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001268900915 813138549 /nfs/dbraw/zinc/13/85/49/813138549.db2.gz QMWCNLUAQZBWPI-CYBMUJFWSA-N 2 1 251.374 0.254 20 30 CCEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001269071628 813207779 /nfs/dbraw/zinc/20/77/79/813207779.db2.gz NHDKUAJIVNPPGZ-BNOWGMLFSA-N 2 1 265.401 0.997 20 30 CCEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001269148485 813240623 /nfs/dbraw/zinc/24/06/23/813240623.db2.gz DHCBZGNFODYYEK-UONOGXRCSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001269148485 813240627 /nfs/dbraw/zinc/24/06/27/813240627.db2.gz DHCBZGNFODYYEK-UONOGXRCSA-N 2 1 281.400 0.378 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001087529466 814072385 /nfs/dbraw/zinc/07/23/85/814072385.db2.gz HYPFQALTKRRPLP-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001087529466 814072391 /nfs/dbraw/zinc/07/23/91/814072391.db2.gz HYPFQALTKRRPLP-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1CC ZINC001087529466 814072396 /nfs/dbraw/zinc/07/23/96/814072396.db2.gz HYPFQALTKRRPLP-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1CC ZINC001087529466 814072401 /nfs/dbraw/zinc/07/24/01/814072401.db2.gz HYPFQALTKRRPLP-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001087799454 814217567 /nfs/dbraw/zinc/21/75/67/814217567.db2.gz VTEULEYQIMABOI-UONOGXRCSA-N 2 1 275.396 0.685 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836792 814230153 /nfs/dbraw/zinc/23/01/53/814230153.db2.gz IMGZJTFJXSAZGD-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836792 814230159 /nfs/dbraw/zinc/23/01/59/814230159.db2.gz IMGZJTFJXSAZGD-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001087836792 814230165 /nfs/dbraw/zinc/23/01/65/814230165.db2.gz IMGZJTFJXSAZGD-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001087836792 814230173 /nfs/dbraw/zinc/23/01/73/814230173.db2.gz IMGZJTFJXSAZGD-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001088013987 814311506 /nfs/dbraw/zinc/31/15/06/814311506.db2.gz CBBOQEWNWHAZQY-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088013987 814311514 /nfs/dbraw/zinc/31/15/14/814311514.db2.gz CBBOQEWNWHAZQY-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088013987 814311524 /nfs/dbraw/zinc/31/15/24/814311524.db2.gz CBBOQEWNWHAZQY-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001088286965 814574763 /nfs/dbraw/zinc/57/47/63/814574763.db2.gz MNWNPNCLEUVDCQ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001088286965 814574767 /nfs/dbraw/zinc/57/47/67/814574767.db2.gz MNWNPNCLEUVDCQ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCC ZINC001272033317 814765681 /nfs/dbraw/zinc/76/56/81/814765681.db2.gz KQFXRGYDVNARFX-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCC ZINC001272033317 814765684 /nfs/dbraw/zinc/76/56/84/814765684.db2.gz KQFXRGYDVNARFX-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC ZINC001272033317 814765687 /nfs/dbraw/zinc/76/56/87/814765687.db2.gz KQFXRGYDVNARFX-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC ZINC001272033317 814765690 /nfs/dbraw/zinc/76/56/90/814765690.db2.gz KQFXRGYDVNARFX-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001030329276 815978548 /nfs/dbraw/zinc/97/85/48/815978548.db2.gz SDGXAQFMNDPUPD-UHFFFAOYSA-N 2 1 291.399 0.435 20 30 CCEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001272271366 815987753 /nfs/dbraw/zinc/98/77/53/815987753.db2.gz KMDCIGRIOGSSJE-OAHLLOKOSA-N 2 1 295.427 0.293 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046217786 816443647 /nfs/dbraw/zinc/44/36/47/816443647.db2.gz HVINSESKPDMZNH-DZGCQCFKSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255346 816465856 /nfs/dbraw/zinc/46/58/56/816465856.db2.gz IVFXRFLFVHPRAW-UONOGXRCSA-N 2 1 263.385 0.590 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127262658 816535407 /nfs/dbraw/zinc/53/54/07/816535407.db2.gz PGBAUFBCJKFUHQ-ZIAGYGMSSA-N 2 1 263.385 0.590 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031259823 816909880 /nfs/dbraw/zinc/90/98/80/816909880.db2.gz GTUKWZYAIWKFNK-LBPRGKRZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031259823 816909883 /nfs/dbraw/zinc/90/98/83/816909883.db2.gz GTUKWZYAIWKFNK-LBPRGKRZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031689052 817244717 /nfs/dbraw/zinc/24/47/17/817244717.db2.gz QQJONMAHOOXASF-GJZGRUSLSA-N 2 1 293.411 0.474 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106905793 817300912 /nfs/dbraw/zinc/30/09/12/817300912.db2.gz HVQHPJDREXRQAX-ZIAGYGMSSA-N 2 1 265.401 0.646 20 30 CCEDMP C#CC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001127679956 817445334 /nfs/dbraw/zinc/44/53/34/817445334.db2.gz QRWMHKQEBJQYDV-LBPRGKRZSA-N 2 1 262.357 0.736 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001032197316 817691993 /nfs/dbraw/zinc/69/19/93/817691993.db2.gz IFZDZCKOACYIPM-CQSZACIVSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001032197316 817692000 /nfs/dbraw/zinc/69/20/00/817692000.db2.gz IFZDZCKOACYIPM-CQSZACIVSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001077675103 817980009 /nfs/dbraw/zinc/98/00/09/817980009.db2.gz ASTNQQFDRYXHRQ-BFHYXJOUSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675103 817980013 /nfs/dbraw/zinc/98/00/13/817980013.db2.gz ASTNQQFDRYXHRQ-BFHYXJOUSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675103 817980016 /nfs/dbraw/zinc/98/00/16/817980016.db2.gz ASTNQQFDRYXHRQ-BFHYXJOUSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032975373 818401112 /nfs/dbraw/zinc/40/11/12/818401112.db2.gz IWFMZJHNDBVCEV-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032975373 818401116 /nfs/dbraw/zinc/40/11/16/818401116.db2.gz IWFMZJHNDBVCEV-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032975373 818401121 /nfs/dbraw/zinc/40/11/21/818401121.db2.gz IWFMZJHNDBVCEV-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032975373 818401123 /nfs/dbraw/zinc/40/11/23/818401123.db2.gz IWFMZJHNDBVCEV-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001033672882 818879811 /nfs/dbraw/zinc/87/98/11/818879811.db2.gz SUVZTFOURYNCJW-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001033672882 818879814 /nfs/dbraw/zinc/87/98/14/818879814.db2.gz SUVZTFOURYNCJW-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033672882 818879821 /nfs/dbraw/zinc/87/98/21/818879821.db2.gz SUVZTFOURYNCJW-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033672882 818879828 /nfs/dbraw/zinc/87/98/28/818879828.db2.gz SUVZTFOURYNCJW-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC)C2)CC1 ZINC001033684309 818885662 /nfs/dbraw/zinc/88/56/62/818885662.db2.gz LXJCSGPPCKGIOA-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128784308 819014581 /nfs/dbraw/zinc/01/45/81/819014581.db2.gz LPBOSQUQJFQIAP-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001034048252 819044635 /nfs/dbraw/zinc/04/46/35/819044635.db2.gz NPKDPHGRWHGTIP-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001034048252 819044639 /nfs/dbraw/zinc/04/46/39/819044639.db2.gz NPKDPHGRWHGTIP-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001036218389 819713598 /nfs/dbraw/zinc/71/35/98/819713598.db2.gz KRCGSKJEMSYNOJ-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001079805478 820473314 /nfs/dbraw/zinc/47/33/14/820473314.db2.gz SJPAZOVEVYDMIS-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001079805478 820473320 /nfs/dbraw/zinc/47/33/20/820473320.db2.gz SJPAZOVEVYDMIS-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001079805478 820473329 /nfs/dbraw/zinc/47/33/29/820473329.db2.gz SJPAZOVEVYDMIS-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001079805478 820473336 /nfs/dbraw/zinc/47/33/36/820473336.db2.gz SJPAZOVEVYDMIS-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082095707 820893483 /nfs/dbraw/zinc/89/34/83/820893483.db2.gz FBYQQXKBBZZCAC-HUUCEWRRSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001082371559 820951942 /nfs/dbraw/zinc/95/19/42/820951942.db2.gz OSORIUPTUXHFKL-ZIAGYGMSSA-N 2 1 290.367 0.030 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001082371559 820951945 /nfs/dbraw/zinc/95/19/45/820951945.db2.gz OSORIUPTUXHFKL-ZIAGYGMSSA-N 2 1 290.367 0.030 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083953518 821163056 /nfs/dbraw/zinc/16/30/56/821163056.db2.gz VSNAYFNSEPNFSD-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953518 821163062 /nfs/dbraw/zinc/16/30/62/821163062.db2.gz VSNAYFNSEPNFSD-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953518 821163066 /nfs/dbraw/zinc/16/30/66/821163066.db2.gz VSNAYFNSEPNFSD-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001084866192 821414237 /nfs/dbraw/zinc/41/42/37/821414237.db2.gz GJZJHSAAFMUWMY-ZIAGYGMSSA-N 2 1 272.352 0.439 20 30 CCEDMP CC#CCN1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001084866192 821414242 /nfs/dbraw/zinc/41/42/42/821414242.db2.gz GJZJHSAAFMUWMY-ZIAGYGMSSA-N 2 1 272.352 0.439 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001085230445 821629886 /nfs/dbraw/zinc/62/98/86/821629886.db2.gz WUYGNWODTCAQBR-KFWWJZLASA-N 2 1 293.411 0.093 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001085230445 821629890 /nfs/dbraw/zinc/62/98/90/821629890.db2.gz WUYGNWODTCAQBR-KFWWJZLASA-N 2 1 293.411 0.093 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001273358431 821923235 /nfs/dbraw/zinc/92/32/35/821923235.db2.gz FEOAFPRSVFGERN-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086084677 822107724 /nfs/dbraw/zinc/10/77/24/822107724.db2.gz AXMVIOLUIJOUJW-ZNMIVQPWSA-N 2 1 277.412 0.977 20 30 CCEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC#CCOC)[NH+](C)C ZINC001155289171 822111410 /nfs/dbraw/zinc/11/14/10/822111410.db2.gz MPVWAAKNVFSQIG-CABCVRRESA-N 2 1 297.443 0.803 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086132390 822122733 /nfs/dbraw/zinc/12/27/33/822122733.db2.gz PMGJUABAAVVZTL-TXEJJXNPSA-N 2 1 290.367 0.467 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001086261949 822181752 /nfs/dbraw/zinc/18/17/52/822181752.db2.gz AXZIKAVWKDFOQB-LZWOXQAQSA-N 2 1 275.396 0.590 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100063858 822208691 /nfs/dbraw/zinc/20/86/91/822208691.db2.gz DYWTWVAHRFMLFL-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100063858 822208700 /nfs/dbraw/zinc/20/87/00/822208700.db2.gz DYWTWVAHRFMLFL-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100063858 822208706 /nfs/dbraw/zinc/20/87/06/822208706.db2.gz DYWTWVAHRFMLFL-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100077268 822237154 /nfs/dbraw/zinc/23/71/54/822237154.db2.gz ZPHHNOOJRKHVNB-LSDHHAIUSA-N 2 1 295.427 0.293 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129839437 837572510 /nfs/dbraw/zinc/57/25/10/837572510.db2.gz ACUFDRFBTQCYJS-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108394070 836003141 /nfs/dbraw/zinc/00/31/41/836003141.db2.gz CXATWDPLYNHWJM-GDBMZVCRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108394070 836003149 /nfs/dbraw/zinc/00/31/49/836003149.db2.gz CXATWDPLYNHWJM-GDBMZVCRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394070 836003162 /nfs/dbraw/zinc/00/31/62/836003162.db2.gz CXATWDPLYNHWJM-GDBMZVCRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394070 836003177 /nfs/dbraw/zinc/00/31/77/836003177.db2.gz CXATWDPLYNHWJM-GDBMZVCRSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387109 836646434 /nfs/dbraw/zinc/64/64/34/836646434.db2.gz SCJFKEWKUKTQNK-CQSZACIVSA-N 2 1 293.415 0.485 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086550294 836862285 /nfs/dbraw/zinc/86/22/85/836862285.db2.gz CKCDPCNVUHUILR-AVGNSLFASA-N 2 1 251.374 0.609 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184810966 844290127 /nfs/dbraw/zinc/29/01/27/844290127.db2.gz SYOOASFOHVJLNJ-DZGCQCFKSA-N 2 1 288.395 0.899 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131424427 838089536 /nfs/dbraw/zinc/08/95/36/838089536.db2.gz SBAPMVTUARBTLT-UHFFFAOYSA-N 2 1 274.368 0.491 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893358 838514808 /nfs/dbraw/zinc/51/48/08/838514808.db2.gz NZIHILMAEWTTQE-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001086734393 839256670 /nfs/dbraw/zinc/25/66/70/839256670.db2.gz FWPOQDIYVZTQLB-ZNMIVQPWSA-N 2 1 277.412 0.978 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650095 844442230 /nfs/dbraw/zinc/44/22/30/844442230.db2.gz CJIHCMNLFCKZJZ-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246019919 839582330 /nfs/dbraw/zinc/58/23/30/839582330.db2.gz JBNPXOTZVRZKMF-BFHYXJOUSA-N 2 1 254.374 0.304 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171228150 840156710 /nfs/dbraw/zinc/15/67/10/840156710.db2.gz SJYDCLXAHWJALB-ZDUSSCGKSA-N 2 1 251.374 0.447 20 30 CCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001091364604 840187282 /nfs/dbraw/zinc/18/72/82/840187282.db2.gz KFESHPYURVMYCL-ROKHWSDSSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523360 841031910 /nfs/dbraw/zinc/03/19/10/841031910.db2.gz HQVHVOUNPUFILD-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523360 841031919 /nfs/dbraw/zinc/03/19/19/841031919.db2.gz HQVHVOUNPUFILD-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523360 841031927 /nfs/dbraw/zinc/03/19/27/841031927.db2.gz HQVHVOUNPUFILD-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523360 841031931 /nfs/dbraw/zinc/03/19/31/841031931.db2.gz HQVHVOUNPUFILD-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523662 841032791 /nfs/dbraw/zinc/03/27/91/841032791.db2.gz LSVXWWOQPFLEJF-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523662 841032800 /nfs/dbraw/zinc/03/28/00/841032800.db2.gz LSVXWWOQPFLEJF-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523662 841032806 /nfs/dbraw/zinc/03/28/06/841032806.db2.gz LSVXWWOQPFLEJF-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523662 841032809 /nfs/dbraw/zinc/03/28/09/841032809.db2.gz LSVXWWOQPFLEJF-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735049 841064164 /nfs/dbraw/zinc/06/41/64/841064164.db2.gz NWNWROXVPVZSAG-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC)C[C@H]1C ZINC001092689916 841065466 /nfs/dbraw/zinc/06/54/66/841065466.db2.gz RMFMCRAQWWXLAS-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC001092689916 841065482 /nfs/dbraw/zinc/06/54/82/841065482.db2.gz RMFMCRAQWWXLAS-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC)C[C@H]1C ZINC001092689916 841065495 /nfs/dbraw/zinc/06/54/95/841065495.db2.gz RMFMCRAQWWXLAS-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC)C[C@H]1C ZINC001092689916 841065510 /nfs/dbraw/zinc/06/55/10/841065510.db2.gz RMFMCRAQWWXLAS-KFWWJZLASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001203337535 841775139 /nfs/dbraw/zinc/77/51/39/841775139.db2.gz KOQDJNVVLRZZFA-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C[C@@H](CCCC#N)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001172487363 841929183 /nfs/dbraw/zinc/92/91/83/841929183.db2.gz GYDOWRHUBXXJPS-ZDUSSCGKSA-N 2 1 266.389 0.822 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606813 842383187 /nfs/dbraw/zinc/38/31/87/842383187.db2.gz LBEKDAHTNMVBOW-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606813 842383200 /nfs/dbraw/zinc/38/32/00/842383200.db2.gz LBEKDAHTNMVBOW-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176685441 842399135 /nfs/dbraw/zinc/39/91/35/842399135.db2.gz BOQBNWSTTBPXIG-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176685441 842399148 /nfs/dbraw/zinc/39/91/48/842399148.db2.gz BOQBNWSTTBPXIG-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C=CC[NH2+]CCN(CC)C(=O)c1cc(C[NH+](C)C)on1 ZINC001273476527 843884272 /nfs/dbraw/zinc/88/42/72/843884272.db2.gz QZKICPMCXKPSEQ-UHFFFAOYSA-N 2 1 280.372 0.974 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187091191 844649464 /nfs/dbraw/zinc/64/94/64/844649464.db2.gz HIXFMXHWBGCCPH-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001187982542 844812744 /nfs/dbraw/zinc/81/27/44/844812744.db2.gz MGECOVWVEXTYMD-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001187982542 844812747 /nfs/dbraw/zinc/81/27/47/844812747.db2.gz MGECOVWVEXTYMD-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107736 844832334 /nfs/dbraw/zinc/83/23/34/844832334.db2.gz XLAXQLWHSXTNMG-SOUVJXGZSA-N 2 1 295.402 0.832 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107736 844832339 /nfs/dbraw/zinc/83/23/39/844832339.db2.gz XLAXQLWHSXTNMG-SOUVJXGZSA-N 2 1 295.402 0.832 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001191019436 845565659 /nfs/dbraw/zinc/56/56/59/845565659.db2.gz MFCBGIBXJXBGDV-ZDUSSCGKSA-N 2 1 265.401 0.883 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ncc[nH]2)C1 ZINC001192580540 845878585 /nfs/dbraw/zinc/87/85/85/845878585.db2.gz IHGSUYQIYYFDDJ-VXGBXAGGSA-N 2 1 278.356 0.080 20 30 CCEDMP C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CCc2ncc[nH]2)C1 ZINC001192580540 845878594 /nfs/dbraw/zinc/87/85/94/845878594.db2.gz IHGSUYQIYYFDDJ-VXGBXAGGSA-N 2 1 278.356 0.080 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821525 846160176 /nfs/dbraw/zinc/16/01/76/846160176.db2.gz MJUFEKUDDMJWBQ-HUUCEWRRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001748 846201781 /nfs/dbraw/zinc/20/17/81/846201781.db2.gz KDVPATGBVAMNQE-CABCVRRESA-N 2 1 295.427 0.673 20 30 CCEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194001748 846201793 /nfs/dbraw/zinc/20/17/93/846201793.db2.gz KDVPATGBVAMNQE-CABCVRRESA-N 2 1 295.427 0.673 20 30 CCEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194001748 846201805 /nfs/dbraw/zinc/20/18/05/846201805.db2.gz KDVPATGBVAMNQE-CABCVRRESA-N 2 1 295.427 0.673 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002292 846202038 /nfs/dbraw/zinc/20/20/38/846202038.db2.gz QSXPFAIFBRUMCC-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002292 846202049 /nfs/dbraw/zinc/20/20/49/846202049.db2.gz QSXPFAIFBRUMCC-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002292 846202057 /nfs/dbraw/zinc/20/20/57/846202057.db2.gz QSXPFAIFBRUMCC-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197791242 846963716 /nfs/dbraw/zinc/96/37/16/846963716.db2.gz DOTXQCZNXSWHPK-RBSFLKMASA-N 2 1 295.427 0.456 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198252919 847075644 /nfs/dbraw/zinc/07/56/44/847075644.db2.gz XUTCVTMRJGUTLK-UHFFFAOYSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198252919 847075624 /nfs/dbraw/zinc/07/56/24/847075624.db2.gz XUTCVTMRJGUTLK-UHFFFAOYSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001198252919 847075628 /nfs/dbraw/zinc/07/56/28/847075628.db2.gz XUTCVTMRJGUTLK-UHFFFAOYSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198252919 847075636 /nfs/dbraw/zinc/07/56/36/847075636.db2.gz XUTCVTMRJGUTLK-UHFFFAOYSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[NH2+]CCN(CC)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001273766331 847118612 /nfs/dbraw/zinc/11/86/12/847118612.db2.gz XQWVVXBRFGFNMF-OKILXGFUSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203925877 847224939 /nfs/dbraw/zinc/22/49/39/847224939.db2.gz XKTPCTPCDGXMGL-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCOC[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001251894444 847410265 /nfs/dbraw/zinc/41/02/65/847410265.db2.gz UDRIJYFGWWKBNP-APIJFGDWSA-N 2 1 266.385 0.602 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200122090 847553409 /nfs/dbraw/zinc/55/34/09/847553409.db2.gz BFLWFEMVNQBUSY-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C=C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273880299 847721823 /nfs/dbraw/zinc/72/18/23/847721823.db2.gz ABHBEMLPHLMMNF-MGPQQGTHSA-N 2 1 281.400 0.160 20 30 CCEDMP C=C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273880298 847721877 /nfs/dbraw/zinc/72/18/77/847721877.db2.gz ABHBEMLPHLMMNF-BFHYXJOUSA-N 2 1 281.400 0.160 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201924520 847838310 /nfs/dbraw/zinc/83/83/10/847838310.db2.gz NRSWHVZAJXFUMR-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001202503006 848002351 /nfs/dbraw/zinc/00/23/51/848002351.db2.gz IAZPGMSJMUITGN-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCF ZINC001274098166 848348347 /nfs/dbraw/zinc/34/83/47/848348347.db2.gz ZDSPSIJKHSVHSG-XGACYXMMSA-N 2 1 281.375 0.706 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCF ZINC001274098166 848348355 /nfs/dbraw/zinc/34/83/55/848348355.db2.gz ZDSPSIJKHSVHSG-XGACYXMMSA-N 2 1 281.375 0.706 20 30 CCEDMP C=CCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001274269047 848434561 /nfs/dbraw/zinc/43/45/61/848434561.db2.gz IAQIBCXZNGCXID-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001275836094 848839793 /nfs/dbraw/zinc/83/97/93/848839793.db2.gz RDCVTROMKVPCSX-RRFJBIMHSA-N 2 1 297.443 0.966 20 30 CCEDMP C=CCOCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275836094 848839805 /nfs/dbraw/zinc/83/98/05/848839805.db2.gz RDCVTROMKVPCSX-RRFJBIMHSA-N 2 1 297.443 0.966 20 30 CCEDMP C=CCOCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275836094 848839819 /nfs/dbraw/zinc/83/98/19/848839819.db2.gz RDCVTROMKVPCSX-RRFJBIMHSA-N 2 1 297.443 0.966 20 30 CCEDMP CC#CCN(C)[C@@H](C)CNC(=O)[C@H]1CCc2nccn2C1 ZINC001275865358 848849875 /nfs/dbraw/zinc/84/98/75/848849875.db2.gz JATNOCQJWCWOKB-KBPBESRZSA-N 2 1 288.395 0.905 20 30 CCEDMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001276003802 848887950 /nfs/dbraw/zinc/88/79/50/848887950.db2.gz UGGVYFAPHRTOFP-GJZGRUSLSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277455 849148217 /nfs/dbraw/zinc/14/82/17/849148217.db2.gz SNTQAAKQCMXVNX-MCIONIFRSA-N 2 1 281.400 0.472 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038264022 849833680 /nfs/dbraw/zinc/83/36/80/849833680.db2.gz UFGJHBIIJYPZHL-LSDHHAIUSA-N 2 1 275.396 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038264022 849833682 /nfs/dbraw/zinc/83/36/82/849833682.db2.gz UFGJHBIIJYPZHL-LSDHHAIUSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042216069 850597057 /nfs/dbraw/zinc/59/70/57/850597057.db2.gz LGQCABVGCHOFAL-GDBMZVCRSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046329983 851468071 /nfs/dbraw/zinc/46/80/71/851468071.db2.gz DROOTFRSCIMLHA-LZWOXQAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048817530 852074208 /nfs/dbraw/zinc/07/42/08/852074208.db2.gz OQLKJLAXTBJMMY-OWCLPIDISA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817530 852074217 /nfs/dbraw/zinc/07/42/17/852074217.db2.gz OQLKJLAXTBJMMY-OWCLPIDISA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817530 852074228 /nfs/dbraw/zinc/07/42/28/852074228.db2.gz OQLKJLAXTBJMMY-OWCLPIDISA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)Cn3cncc3C)C[C@H]2C1 ZINC001048938586 852115295 /nfs/dbraw/zinc/11/52/95/852115295.db2.gz KFIAOJQANHTUNB-OKILXGFUSA-N 2 1 272.352 0.215 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001048938586 852115310 /nfs/dbraw/zinc/11/53/10/852115310.db2.gz KFIAOJQANHTUNB-OKILXGFUSA-N 2 1 272.352 0.215 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001049039010 852144893 /nfs/dbraw/zinc/14/48/93/852144893.db2.gz NMKAAHIRLXRAEO-QLFBSQMISA-N 2 1 277.412 0.596 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001049234023 852199967 /nfs/dbraw/zinc/19/99/67/852199967.db2.gz WBNYWSFWJUISNS-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049234023 852199971 /nfs/dbraw/zinc/19/99/71/852199971.db2.gz WBNYWSFWJUISNS-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049234023 852199976 /nfs/dbraw/zinc/19/99/76/852199976.db2.gz WBNYWSFWJUISNS-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001050664008 853409285 /nfs/dbraw/zinc/40/92/85/853409285.db2.gz JUKULNUDMVPOLK-CABCVRRESA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001072983286 854510340 /nfs/dbraw/zinc/51/03/40/854510340.db2.gz QOFHQSIYKBLARI-KBPBESRZSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072983286 854510346 /nfs/dbraw/zinc/51/03/46/854510346.db2.gz QOFHQSIYKBLARI-KBPBESRZSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072983286 854510349 /nfs/dbraw/zinc/51/03/49/854510349.db2.gz QOFHQSIYKBLARI-KBPBESRZSA-N 2 1 277.412 0.904 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001073426042 854558442 /nfs/dbraw/zinc/55/84/42/854558442.db2.gz OVDSUXZSXOSQDP-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073426042 854558446 /nfs/dbraw/zinc/55/84/46/854558446.db2.gz OVDSUXZSXOSQDP-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073426042 854558451 /nfs/dbraw/zinc/55/84/51/854558451.db2.gz OVDSUXZSXOSQDP-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073891316 854659104 /nfs/dbraw/zinc/65/91/04/854659104.db2.gz OHQZRXKUGXEMIK-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073891316 854659106 /nfs/dbraw/zinc/65/91/06/854659106.db2.gz OHQZRXKUGXEMIK-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073891316 854659112 /nfs/dbraw/zinc/65/91/12/854659112.db2.gz OHQZRXKUGXEMIK-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001075118733 854813414 /nfs/dbraw/zinc/81/34/14/854813414.db2.gz CUFVEUVIZCGRKQ-SOUVJXGZSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001075118733 854813424 /nfs/dbraw/zinc/81/34/24/854813424.db2.gz CUFVEUVIZCGRKQ-SOUVJXGZSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124736 855101828 /nfs/dbraw/zinc/10/18/28/855101828.db2.gz MOKJGYSKBWNZAQ-CABCVRRESA-N 2 1 295.427 0.600 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100126057 855104703 /nfs/dbraw/zinc/10/47/03/855104703.db2.gz ARGRKMUPUGSFNC-LSDHHAIUSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100126057 855104706 /nfs/dbraw/zinc/10/47/06/855104706.db2.gz ARGRKMUPUGSFNC-LSDHHAIUSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001100746366 855217366 /nfs/dbraw/zinc/21/73/66/855217366.db2.gz NCUNVYIUZSCEGG-HIFPTAJRSA-N 2 1 274.368 0.706 20 30 CCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100980940 855252009 /nfs/dbraw/zinc/25/20/09/855252009.db2.gz NJRXRNBFGAKOCC-ROKHWSDSSA-N 2 1 265.401 0.999 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115301855 855660606 /nfs/dbraw/zinc/66/06/06/855660606.db2.gz IYWHUSDFLFBFQN-IMRBUKKESA-N 2 1 251.374 0.559 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115301855 855660608 /nfs/dbraw/zinc/66/06/08/855660608.db2.gz IYWHUSDFLFBFQN-IMRBUKKESA-N 2 1 251.374 0.559 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115301855 855660609 /nfs/dbraw/zinc/66/06/09/855660609.db2.gz IYWHUSDFLFBFQN-IMRBUKKESA-N 2 1 251.374 0.559 20 30 CCEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001324705734 912989442 /nfs/dbraw/zinc/98/94/42/912989442.db2.gz IPABNZBFWMREMD-GDBMZVCRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001324705734 912989450 /nfs/dbraw/zinc/98/94/50/912989450.db2.gz IPABNZBFWMREMD-GDBMZVCRSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001325100414 913214906 /nfs/dbraw/zinc/21/49/06/913214906.db2.gz ARTZZIBVDHSANI-MRXNPFEDSA-N 2 1 293.411 0.047 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001394622377 913321557 /nfs/dbraw/zinc/32/15/57/913321557.db2.gz WOEMAJAAGCBQCO-NEPJUHHUSA-N 2 1 289.807 0.290 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001394622377 913321573 /nfs/dbraw/zinc/32/15/73/913321573.db2.gz WOEMAJAAGCBQCO-NEPJUHHUSA-N 2 1 289.807 0.290 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001480905560 891733488 /nfs/dbraw/zinc/73/34/88/891733488.db2.gz YJTMUQUJRUIBPZ-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001480905560 891733495 /nfs/dbraw/zinc/73/34/95/891733495.db2.gz YJTMUQUJRUIBPZ-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001480905560 891733502 /nfs/dbraw/zinc/73/35/02/891733502.db2.gz YJTMUQUJRUIBPZ-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001481070464 892129661 /nfs/dbraw/zinc/12/96/61/892129661.db2.gz IKUWGKKWANOZSD-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001481070464 892129671 /nfs/dbraw/zinc/12/96/71/892129671.db2.gz IKUWGKKWANOZSD-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001481070464 892129682 /nfs/dbraw/zinc/12/96/82/892129682.db2.gz IKUWGKKWANOZSD-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001481099788 892161747 /nfs/dbraw/zinc/16/17/47/892161747.db2.gz SYHNNDFRGFLGAK-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001481124973 892197809 /nfs/dbraw/zinc/19/78/09/892197809.db2.gz YYWIEHJLTCOJIL-AWEZNQCLSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001481123420 892198876 /nfs/dbraw/zinc/19/88/76/892198876.db2.gz IEIBEFFDHBFOMV-GJZGRUSLSA-N 2 1 293.411 0.026 20 30 CCEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481506806 892755408 /nfs/dbraw/zinc/75/54/08/892755408.db2.gz LCZAYKKIUPVORA-KBPBESRZSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001481506806 892755423 /nfs/dbraw/zinc/75/54/23/892755423.db2.gz LCZAYKKIUPVORA-KBPBESRZSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481506806 892755434 /nfs/dbraw/zinc/75/54/34/892755434.db2.gz LCZAYKKIUPVORA-KBPBESRZSA-N 2 1 265.401 0.904 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481648090 892964256 /nfs/dbraw/zinc/96/42/56/892964256.db2.gz MCTMKIXMKSAUAU-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482141392 893434159 /nfs/dbraw/zinc/43/41/59/893434159.db2.gz CLENOBOJCNVBNO-UONOGXRCSA-N 2 1 265.401 0.693 20 30 CCEDMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482398591 893954227 /nfs/dbraw/zinc/95/42/27/893954227.db2.gz PEXNADDMEOQWGY-UONOGXRCSA-N 2 1 265.401 0.692 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001482750471 894551056 /nfs/dbraw/zinc/55/10/56/894551056.db2.gz SATVBCATDFVYQJ-ZDUSSCGKSA-N 2 1 280.372 0.224 20 30 CCEDMP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001482737395 894554334 /nfs/dbraw/zinc/55/43/34/894554334.db2.gz LTKINIRPKMRWMT-GJZGRUSLSA-N 2 1 293.411 0.093 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC1 ZINC001482841399 894644027 /nfs/dbraw/zinc/64/40/27/894644027.db2.gz GSDGHZGOQPBWDQ-ZFWWWQNUSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC1 ZINC001482841399 894644036 /nfs/dbraw/zinc/64/40/36/894644036.db2.gz GSDGHZGOQPBWDQ-ZFWWWQNUSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001483176143 895058724 /nfs/dbraw/zinc/05/87/24/895058724.db2.gz QZTWSEWMYDPEHB-OAHLLOKOSA-N 2 1 295.427 0.607 20 30 CCEDMP C=CCOCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484070917 896182858 /nfs/dbraw/zinc/18/28/58/896182858.db2.gz IYOXVBOPLYADTO-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484070917 896182860 /nfs/dbraw/zinc/18/28/60/896182860.db2.gz IYOXVBOPLYADTO-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484070917 896182861 /nfs/dbraw/zinc/18/28/61/896182861.db2.gz IYOXVBOPLYADTO-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484252888 896287736 /nfs/dbraw/zinc/28/77/36/896287736.db2.gz XXJBEDCKJSTLSF-UKRRQHHQSA-N 2 1 281.400 0.067 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001484414661 896383074 /nfs/dbraw/zinc/38/30/74/896383074.db2.gz XICFJQYPUJYJIM-GASCZTMLSA-N 2 1 277.412 0.742 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485383440 897013064 /nfs/dbraw/zinc/01/30/64/897013064.db2.gz NDBRPEGMCCWYFP-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485471184 897066391 /nfs/dbraw/zinc/06/63/91/897066391.db2.gz DLJPJKFOTFBSEB-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001485730313 897215576 /nfs/dbraw/zinc/21/55/76/897215576.db2.gz MADGSZVQPWPKRS-LBPRGKRZSA-N 2 1 292.383 0.858 20 30 CCEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485827787 897470170 /nfs/dbraw/zinc/47/01/70/897470170.db2.gz REXPPMJGNQZCLV-HIFRSBDPSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032460523 897596448 /nfs/dbraw/zinc/59/64/48/897596448.db2.gz POQPFZUUHYWGHB-KKUMJFAQSA-N 2 1 277.412 0.881 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032460523 897596460 /nfs/dbraw/zinc/59/64/60/897596460.db2.gz POQPFZUUHYWGHB-KKUMJFAQSA-N 2 1 277.412 0.881 20 30 CCEDMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485834550 898051424 /nfs/dbraw/zinc/05/14/24/898051424.db2.gz QBSPNKQVKPXYBZ-KGLIPLIRSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032780692 898175835 /nfs/dbraw/zinc/17/58/35/898175835.db2.gz AQCKZHRVWABHOG-IHRRRGAJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032780692 898175831 /nfs/dbraw/zinc/17/58/31/898175831.db2.gz AQCKZHRVWABHOG-IHRRRGAJSA-N 2 1 263.385 0.799 20 30 CCEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001326865507 914242765 /nfs/dbraw/zinc/24/27/65/914242765.db2.gz YFTPVPKAWILYEP-CYBMUJFWSA-N 2 1 263.385 0.732 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001485960808 898558721 /nfs/dbraw/zinc/55/87/21/898558721.db2.gz NDLWFIQAJBPGOY-ZDUSSCGKSA-N 2 1 253.390 0.786 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001486149423 898688431 /nfs/dbraw/zinc/68/84/31/898688431.db2.gz WJDNHUXSWCDFRU-HIFRSBDPSA-N 2 1 263.385 0.685 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486316549 898777616 /nfs/dbraw/zinc/77/76/16/898777616.db2.gz DCXWTZYJDIAADI-VXGBXAGGSA-N 2 1 289.807 0.100 20 30 CCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001486495967 898905070 /nfs/dbraw/zinc/90/50/70/898905070.db2.gz KARMUYGMRZEGKD-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001490607579 900676498 /nfs/dbraw/zinc/67/64/98/900676498.db2.gz YQUKAWLVECLGFE-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001490692166 900705964 /nfs/dbraw/zinc/70/59/64/900705964.db2.gz AUYKTNHFBGIRBQ-HUUCEWRRSA-N 2 1 293.411 0.215 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210811952 903828540 /nfs/dbraw/zinc/82/85/40/903828540.db2.gz RZGPARUJRFIYIW-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001281968964 904378980 /nfs/dbraw/zinc/37/89/80/904378980.db2.gz RNGGDQRXOIMZJJ-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001281991292 904382370 /nfs/dbraw/zinc/38/23/70/904382370.db2.gz VUKFTFZSCKJMSW-NRXISQOPSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001281991292 904382384 /nfs/dbraw/zinc/38/23/84/904382384.db2.gz VUKFTFZSCKJMSW-NRXISQOPSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001282637716 904512092 /nfs/dbraw/zinc/51/20/92/904512092.db2.gz BDDUFALQKISALD-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001282637716 904512100 /nfs/dbraw/zinc/51/21/00/904512100.db2.gz BDDUFALQKISALD-CABCVRRESA-N 2 1 295.427 0.605 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001316628599 904924618 /nfs/dbraw/zinc/92/46/18/904924618.db2.gz RJRDUFJDOSWMRC-IHRRRGAJSA-N 2 1 263.385 0.588 20 30 CCEDMP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001283755901 904994799 /nfs/dbraw/zinc/99/47/99/904994799.db2.gz KOYCMUFGQYLFAS-CABCVRRESA-N 2 1 297.443 0.892 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC001293715684 906509778 /nfs/dbraw/zinc/50/97/78/906509778.db2.gz JINJCLVZOJQLMV-CQSZACIVSA-N 2 1 295.452 0.591 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC001293715684 906509798 /nfs/dbraw/zinc/50/97/98/906509798.db2.gz JINJCLVZOJQLMV-CQSZACIVSA-N 2 1 295.452 0.591 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC001293715684 906509815 /nfs/dbraw/zinc/50/98/15/906509815.db2.gz JINJCLVZOJQLMV-CQSZACIVSA-N 2 1 295.452 0.591 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC001293715684 906509829 /nfs/dbraw/zinc/50/98/29/906509829.db2.gz JINJCLVZOJQLMV-CQSZACIVSA-N 2 1 295.452 0.591 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001491849764 907605081 /nfs/dbraw/zinc/60/50/81/907605081.db2.gz LQQKGZYBSAVCGU-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCC[N@@H+](CC)CCCNC(=O)C[NH+]1CCCC1 ZINC001316908354 908836112 /nfs/dbraw/zinc/83/61/12/908836112.db2.gz ASVBKZGTSFWOQX-UHFFFAOYSA-N 2 1 265.401 0.934 20 30 CCEDMP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317624919 909417907 /nfs/dbraw/zinc/41/79/07/909417907.db2.gz YOYQPGKKQUUROE-CQSZACIVSA-N 2 1 288.395 0.825 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001318445077 909760102 /nfs/dbraw/zinc/76/01/02/909760102.db2.gz JHGMOSYDNYNUJY-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001318445077 909760108 /nfs/dbraw/zinc/76/01/08/909760108.db2.gz JHGMOSYDNYNUJY-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001318445077 909760115 /nfs/dbraw/zinc/76/01/15/909760115.db2.gz JHGMOSYDNYNUJY-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CCC[NH2+][C@H](CC)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001318543092 909807011 /nfs/dbraw/zinc/80/70/11/909807011.db2.gz WDBSWQCIRVUGRX-GFCCVEGCSA-N 2 1 292.383 0.858 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001319130176 909996748 /nfs/dbraw/zinc/99/67/48/909996748.db2.gz PALDTOROIZDMRK-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001319207179 910037449 /nfs/dbraw/zinc/03/74/49/910037449.db2.gz HGBABXJQWJBLPG-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCO[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC001320038719 910428480 /nfs/dbraw/zinc/42/84/80/910428480.db2.gz UZTXJENIFOQXLR-UONOGXRCSA-N 2 1 254.374 0.720 20 30 CCEDMP C=CCO[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC001320038719 910428490 /nfs/dbraw/zinc/42/84/90/910428490.db2.gz UZTXJENIFOQXLR-UONOGXRCSA-N 2 1 254.374 0.720 20 30 CCEDMP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320640662 910775236 /nfs/dbraw/zinc/77/52/36/910775236.db2.gz SWVOHRBLVSYFRZ-KBPBESRZSA-N 2 1 281.400 0.072 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001329530288 915991314 /nfs/dbraw/zinc/99/13/14/915991314.db2.gz GCDXQLWBZAJCNC-ZDUSSCGKSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001331630017 917462924 /nfs/dbraw/zinc/46/29/24/917462924.db2.gz FPZVZMKDQNBQGT-LLVKDONJSA-N 2 1 250.346 0.814 20 30 CCEDMP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001332049338 917823072 /nfs/dbraw/zinc/82/30/72/917823072.db2.gz OTPRGEDVHONULT-TZMCWYRMSA-N 2 1 274.368 0.794 20 30 CCEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC#N)[C@@H](C)C1 ZINC001335812462 920449610 /nfs/dbraw/zinc/44/96/10/920449610.db2.gz DIBOSEPTIHYABD-ZNMIVQPWSA-N 2 1 283.416 0.988 20 30 CCEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC#N)[C@@H](C)C1 ZINC001335812462 920449613 /nfs/dbraw/zinc/44/96/13/920449613.db2.gz DIBOSEPTIHYABD-ZNMIVQPWSA-N 2 1 283.416 0.988 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001419173882 922691070 /nfs/dbraw/zinc/69/10/70/922691070.db2.gz HDZDEBFKKLAZSM-NEPJUHHUSA-N 2 1 289.807 0.554 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001419173882 922691074 /nfs/dbraw/zinc/69/10/74/922691074.db2.gz HDZDEBFKKLAZSM-NEPJUHHUSA-N 2 1 289.807 0.554 20 30 CCEDMP C#CC[NH2+]CC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC001343408320 923301442 /nfs/dbraw/zinc/30/14/42/923301442.db2.gz XSOLCURQNFCIGZ-UHFFFAOYSA-N 2 1 259.353 0.804 20 30 CCEDMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001353238896 925769308 /nfs/dbraw/zinc/76/93/08/925769308.db2.gz HWXWKSOGHGLWTQ-CQSZACIVSA-N 2 1 293.415 0.802 20 30 CCEDMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC001353289118 925785067 /nfs/dbraw/zinc/78/50/67/925785067.db2.gz WAVDZRDDYOLNBE-STQMWFEESA-N 2 1 251.374 0.973 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H](C)COC)CC1 ZINC001356610352 926410301 /nfs/dbraw/zinc/41/03/01/926410301.db2.gz NSBMDSQQXZEVPM-HOCLYGCPSA-N 2 1 298.427 0.476 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC001444268127 929822525 /nfs/dbraw/zinc/82/25/25/929822525.db2.gz PZDZYIFQGIOFMQ-ZDUSSCGKSA-N 2 1 253.390 0.904 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001448836929 931002967 /nfs/dbraw/zinc/00/29/67/931002967.db2.gz GFYAJTUVURLMTG-LLVKDONJSA-N 2 1 289.807 0.290 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001448836929 931002974 /nfs/dbraw/zinc/00/29/74/931002974.db2.gz GFYAJTUVURLMTG-LLVKDONJSA-N 2 1 289.807 0.290 20 30 CCEDMP C=C[C@@](C)(O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503654 365658922 /nfs/dbraw/zinc/65/89/22/365658922.db2.gz SPMPBHIBRFPRDX-GXTWGEPZSA-N 2 1 271.405 0.312 20 30 CCEDMP C=C[C@@](C)(O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503654 365658924 /nfs/dbraw/zinc/65/89/24/365658924.db2.gz SPMPBHIBRFPRDX-GXTWGEPZSA-N 2 1 271.405 0.312 20 30 CCEDMP C=C[C@](C)(O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503655 365658964 /nfs/dbraw/zinc/65/89/64/365658964.db2.gz SPMPBHIBRFPRDX-JSGCOSHPSA-N 2 1 271.405 0.312 20 30 CCEDMP C=C[C@](C)(O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503655 365658967 /nfs/dbraw/zinc/65/89/67/365658967.db2.gz SPMPBHIBRFPRDX-JSGCOSHPSA-N 2 1 271.405 0.312 20 30 CCEDMP N#Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179725 348681701 /nfs/dbraw/zinc/68/17/01/348681701.db2.gz RJMUVQJHJCQPOO-OAHLLOKOSA-N 2 1 286.379 0.845 20 30 CCEDMP CN1CC[N@@H+](C)C[C@@H]1CNCc1ccc(C#N)cc1 ZINC000225315817 352001357 /nfs/dbraw/zinc/00/13/57/352001357.db2.gz GNWBVFUGZBXJGC-HNNXBMFYSA-N 2 1 258.369 0.894 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261579810 352561689 /nfs/dbraw/zinc/56/16/89/352561689.db2.gz FAQUETUDEQRFAH-MELADBBJSA-N 2 1 263.385 0.856 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CC=CCC1 ZINC000297598827 200237940 /nfs/dbraw/zinc/23/79/40/200237940.db2.gz VSMRSKSQERKVPL-UHFFFAOYSA-N 2 1 278.400 0.503 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000297598827 200237942 /nfs/dbraw/zinc/23/79/42/200237942.db2.gz VSMRSKSQERKVPL-UHFFFAOYSA-N 2 1 278.400 0.503 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000297598827 200237944 /nfs/dbraw/zinc/23/79/44/200237944.db2.gz VSMRSKSQERKVPL-UHFFFAOYSA-N 2 1 278.400 0.503 20 30 CCEDMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1C ZINC000594437835 360307196 /nfs/dbraw/zinc/30/71/96/360307196.db2.gz KZMCVOVKAXODGO-JHJVBQTASA-N 2 1 266.389 0.997 20 30 CCEDMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000594441075 360309894 /nfs/dbraw/zinc/30/98/94/360309894.db2.gz MJWGEAYXASWUJS-GXTWGEPZSA-N 2 1 278.400 0.998 20 30 CCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(C#N)c(N)n1 ZINC000596359762 360884504 /nfs/dbraw/zinc/88/45/04/360884504.db2.gz CXAZDUARVZVFJZ-LBPRGKRZSA-N 2 1 290.415 0.641 20 30 CCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(C#N)c(N)n1 ZINC000596359762 360884506 /nfs/dbraw/zinc/88/45/06/360884506.db2.gz CXAZDUARVZVFJZ-LBPRGKRZSA-N 2 1 290.415 0.641 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000635532077 372595611 /nfs/dbraw/zinc/59/56/11/372595611.db2.gz YXHRIHINPRRSBR-HUUCEWRRSA-N 2 1 293.411 0.616 20 30 CCEDMP C[C@H]1C[N@@H+](CC#CC[NH+]2C[C@@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000342133588 389197199 /nfs/dbraw/zinc/19/71/99/389197199.db2.gz RGIZQDGPRHVBPC-FZKCQIBNSA-N 2 1 280.412 0.110 20 30 CCEDMP C#CCNC(NC[C@]1([NH+](C)C)CCSC1)=[NH+]C ZINC000262778762 389294846 /nfs/dbraw/zinc/29/48/46/389294846.db2.gz KRILGJQKAUJQBV-GFCCVEGCSA-N 2 1 254.403 0.222 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350283851 389501970 /nfs/dbraw/zinc/50/19/70/389501970.db2.gz AHLVDTSYJDGRHU-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350283851 389501972 /nfs/dbraw/zinc/50/19/72/389501972.db2.gz AHLVDTSYJDGRHU-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397236593 389778095 /nfs/dbraw/zinc/77/80/95/389778095.db2.gz BSNYVAORDAGHLP-WOPDTQHZSA-N 2 1 282.388 0.303 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397236593 389778100 /nfs/dbraw/zinc/77/81/00/389778100.db2.gz BSNYVAORDAGHLP-WOPDTQHZSA-N 2 1 282.388 0.303 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442763398 389861622 /nfs/dbraw/zinc/86/16/22/389861622.db2.gz IXGCNQKTVSREMK-DCAQKATOSA-N 2 1 268.361 0.056 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442763398 389861624 /nfs/dbraw/zinc/86/16/24/389861624.db2.gz IXGCNQKTVSREMK-DCAQKATOSA-N 2 1 268.361 0.056 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000420299371 389980010 /nfs/dbraw/zinc/98/00/10/389980010.db2.gz AYSBTORRIJYKEF-CRWXNKLISA-N 2 1 263.385 0.833 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CC)CC1 ZINC000491637309 390115353 /nfs/dbraw/zinc/11/53/53/390115353.db2.gz WXVFTALMTHWFEY-UHFFFAOYSA-N 2 1 266.389 0.289 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CC)CC1 ZINC000491637309 390115354 /nfs/dbraw/zinc/11/53/54/390115354.db2.gz WXVFTALMTHWFEY-UHFFFAOYSA-N 2 1 266.389 0.289 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000491661684 390115569 /nfs/dbraw/zinc/11/55/69/390115569.db2.gz NTEOJUISHPIGNI-VXGBXAGGSA-N 2 1 254.378 0.367 20 30 CCEDMP C[C@@H](O)C[N@@H+](CC#CC[NH+](C[C@H](C)O)C1CC1)C1CC1 ZINC000653901988 412363217 /nfs/dbraw/zinc/36/32/17/412363217.db2.gz HWMBFBJAYINYHT-OKILXGFUSA-N 2 1 280.412 0.680 20 30 CCEDMP C[C@@H](O)C[NH+](CC#CC[N@H+](C[C@H](C)O)C1CC1)C1CC1 ZINC000653901988 412363221 /nfs/dbraw/zinc/36/32/21/412363221.db2.gz HWMBFBJAYINYHT-OKILXGFUSA-N 2 1 280.412 0.680 20 30 CCEDMP C[C@@H](O)C[NH+](CC#CC[N@@H+](C[C@H](C)O)C1CC1)C1CC1 ZINC000653901988 412363223 /nfs/dbraw/zinc/36/32/23/412363223.db2.gz HWMBFBJAYINYHT-OKILXGFUSA-N 2 1 280.412 0.680 20 30 CCEDMP C[C@@H](O)C[NH+](CC#CC[N@H+](C[C@@H](C)O)C1CC1)C1CC1 ZINC000653901989 412363240 /nfs/dbraw/zinc/36/32/40/412363240.db2.gz HWMBFBJAYINYHT-ZIAGYGMSSA-N 2 1 280.412 0.680 20 30 CCEDMP C=CC[C@]1(C(=O)N2CCC[N@H+](C)CC2)CCC[NH2+]1 ZINC000662765737 414775855 /nfs/dbraw/zinc/77/58/55/414775855.db2.gz IEBKINCHTDZXTE-CQSZACIVSA-N 2 1 251.374 0.849 20 30 CCEDMP C#CCN(CC)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000490761997 261203828 /nfs/dbraw/zinc/20/38/28/261203828.db2.gz ZBXQAPVLZPIVLU-HNNXBMFYSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CCN(CC)CC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000490761997 261203831 /nfs/dbraw/zinc/20/38/31/261203831.db2.gz ZBXQAPVLZPIVLU-HNNXBMFYSA-N 2 1 295.427 0.415 20 30 CCEDMP C[C@H](O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H]([C@H](C)O)C2)C1 ZINC000341905707 263365067 /nfs/dbraw/zinc/36/50/67/263365067.db2.gz CCEQKLDXCHDCQG-CAOSSQGBSA-N 2 1 280.412 0.395 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342113909 263389135 /nfs/dbraw/zinc/38/91/35/263389135.db2.gz WCTKMHDKEIURBT-ZDEQEGDKSA-N 2 1 294.399 0.446 20 30 CCEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000362632911 267027036 /nfs/dbraw/zinc/02/70/36/267027036.db2.gz GYAFATGXAYFRPQ-UONOGXRCSA-N 2 1 280.416 0.878 20 30 CCEDMP C[NH+]=C(NCc1nccn1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261752376 328140982 /nfs/dbraw/zinc/14/09/82/328140982.db2.gz LZDLHDSTVDXAGH-WCQYABFASA-N 2 1 290.415 0.568 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCOC1 ZINC000170908682 329072082 /nfs/dbraw/zinc/07/20/82/329072082.db2.gz WWJRYXQKGBVNTI-QWHCGFSZSA-N 2 1 268.405 0.802 20 30 CCEDMP C[C@H]1CN(C(=[NH2+])NC[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000262438561 330012932 /nfs/dbraw/zinc/01/29/32/330012932.db2.gz GXZTVWZAXVCLKN-RYUDHWBXSA-N 2 1 266.389 0.506 20 30 CCEDMP C[C@H]1CN(C(=[NH2+])NC[C@]2([NH+](C)C)CCSC2)CCO1 ZINC000262439329 330013128 /nfs/dbraw/zinc/01/31/28/330013128.db2.gz HGQBRBPFOHQYOP-WCQYABFASA-N 2 1 286.445 0.459 20 30 CCEDMP C[C@@H]1CN(C(=[NH2+])NCC[N@H+]2CC=CCC2)CCO1 ZINC000262494296 330017579 /nfs/dbraw/zinc/01/75/79/330017579.db2.gz VZUGDPPFAXMLNZ-GFCCVEGCSA-N 2 1 252.362 0.284 20 30 CCEDMP C[C@@H]1CN(C(=[NH2+])NCC[N@@H+]2CC=CCC2)CCO1 ZINC000262494296 330017580 /nfs/dbraw/zinc/01/75/80/330017580.db2.gz VZUGDPPFAXMLNZ-GFCCVEGCSA-N 2 1 252.362 0.284 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)CCC(=O)N1 ZINC000263187317 330048119 /nfs/dbraw/zinc/04/81/19/330048119.db2.gz VBHPLLSXQNIRAR-BXUZGUMPSA-N 2 1 281.404 0.044 20 30 CCEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C[NH+]1CCOCC1 ZINC000424157489 330304721 /nfs/dbraw/zinc/30/47/21/330304721.db2.gz PPTUYSYOHKGUBK-OLZOCXBDSA-N 2 1 282.388 0.092 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000491619841 332245525 /nfs/dbraw/zinc/24/55/25/332245525.db2.gz DXWSDRMHDYPTIM-AWEZNQCLSA-N 2 1 280.416 0.535 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000491644783 332263030 /nfs/dbraw/zinc/26/30/30/332263030.db2.gz LOELNFZDJVWLHY-UONOGXRCSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000491644783 332263032 /nfs/dbraw/zinc/26/30/32/332263032.db2.gz LOELNFZDJVWLHY-UONOGXRCSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000491644783 332263034 /nfs/dbraw/zinc/26/30/34/332263034.db2.gz LOELNFZDJVWLHY-UONOGXRCSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000491663674 332272767 /nfs/dbraw/zinc/27/27/67/332272767.db2.gz HEGQJSISRYCLEX-UONOGXRCSA-N 2 1 280.416 0.629 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]CCC(=O)Nc1cccnc1 ZINC000491688842 332286485 /nfs/dbraw/zinc/28/64/85/332286485.db2.gz FBQXMGHBJBBADL-UHFFFAOYSA-N 2 1 274.368 0.955 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]CCC(=O)Nc1cccnc1 ZINC000491688842 332286486 /nfs/dbraw/zinc/28/64/86/332286486.db2.gz FBQXMGHBJBBADL-UHFFFAOYSA-N 2 1 274.368 0.955 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CC(C)(C)C[C@H]2C)CC1 ZINC000491776475 332341935 /nfs/dbraw/zinc/34/19/35/332341935.db2.gz WBVDUEGPDGAGAG-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000516762102 333081935 /nfs/dbraw/zinc/08/19/35/333081935.db2.gz UNGJNOWIKLXZPH-HZPDHXFCSA-N 2 1 296.459 0.760 20 30 CCEDMP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000541859170 333794881 /nfs/dbraw/zinc/79/48/81/333794881.db2.gz ZPJVYWXOWNUDQF-GFCCVEGCSA-N 2 1 292.383 0.301 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000334785291 526476399 /nfs/dbraw/zinc/47/63/99/526476399.db2.gz NSFKFKMTIAGFSR-CYBMUJFWSA-N 2 1 263.385 0.849 20 30 CCEDMP C[C@@H](CNC(=[NH2+])N(C)C1CC1)C[NH+]1CCOCC1 ZINC000305796309 649874801 /nfs/dbraw/zinc/87/48/01/649874801.db2.gz APLWBLDQQROTST-NSHDSACASA-N 2 1 254.378 0.364 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000729920507 581620493 /nfs/dbraw/zinc/62/04/93/581620493.db2.gz GJZINULYIUHPMK-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000730281695 581691305 /nfs/dbraw/zinc/69/13/05/581691305.db2.gz SOATZUNWFOAFEW-ILXRZTDVSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000730281695 581691307 /nfs/dbraw/zinc/69/13/07/581691307.db2.gz SOATZUNWFOAFEW-ILXRZTDVSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000730281695 581691313 /nfs/dbraw/zinc/69/13/13/581691313.db2.gz SOATZUNWFOAFEW-ILXRZTDVSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000730281695 581691315 /nfs/dbraw/zinc/69/13/15/581691315.db2.gz SOATZUNWFOAFEW-ILXRZTDVSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)C(C)C ZINC000730283688 581692390 /nfs/dbraw/zinc/69/23/90/581692390.db2.gz LSVBDONFBWCFKM-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)C(C)C ZINC000730283688 581692393 /nfs/dbraw/zinc/69/23/93/581692393.db2.gz LSVBDONFBWCFKM-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C(C)C ZINC000730283688 581692397 /nfs/dbraw/zinc/69/23/97/581692397.db2.gz LSVBDONFBWCFKM-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)C(C)C ZINC000730283688 581692401 /nfs/dbraw/zinc/69/24/01/581692401.db2.gz LSVBDONFBWCFKM-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCNC(=S)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000758219426 581728075 /nfs/dbraw/zinc/72/80/75/581728075.db2.gz LLNSPIOJWPVWOL-CQSZACIVSA-N 2 1 296.484 0.842 20 30 CCEDMP C#CCC1([NH2+]CCC(=O)N2CC[NH+](C)CC2)CCC1 ZINC000933296144 612970501 /nfs/dbraw/zinc/97/05/01/612970501.db2.gz DCIGITHYHWIWMV-UHFFFAOYSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000960328140 612971150 /nfs/dbraw/zinc/97/11/50/612971150.db2.gz ABBARQZQYIKVRN-DJIMGWMZSA-N 2 1 297.402 0.943 20 30 CCEDMP C#CCC[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000809968048 613011585 /nfs/dbraw/zinc/01/15/85/613011585.db2.gz LKACFKLWJLGGJA-HNNXBMFYSA-N 2 1 265.401 0.082 20 30 CCEDMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000886575574 613068811 /nfs/dbraw/zinc/06/88/11/613068811.db2.gz ANNWRBYDSKWFED-CYBMUJFWSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000972743304 613096936 /nfs/dbraw/zinc/09/69/36/613096936.db2.gz PVKBKBKULSKAEY-ZDUSSCGKSA-N 2 1 286.379 0.927 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC)C2)CC1 ZINC000980478337 613129673 /nfs/dbraw/zinc/12/96/73/613129673.db2.gz OODJXZGNFDYMBZ-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000923319109 613134811 /nfs/dbraw/zinc/13/48/11/613134811.db2.gz KVKLFAUBMUNXAS-OAHLLOKOSA-N 2 1 292.427 0.868 20 30 CCEDMP C#C[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000847026608 613158815 /nfs/dbraw/zinc/15/88/15/613158815.db2.gz FZUAYFYDHZVLLE-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+](C)C(C)C)C1 ZINC000884129116 613168879 /nfs/dbraw/zinc/16/88/79/613168879.db2.gz XXMBILUTQPRFDA-CQSZACIVSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+](C)C(C)C)C1 ZINC000884129116 613168880 /nfs/dbraw/zinc/16/88/80/613168880.db2.gz XXMBILUTQPRFDA-CQSZACIVSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)C(C)C)C1 ZINC000884129116 613168881 /nfs/dbraw/zinc/16/88/81/613168881.db2.gz XXMBILUTQPRFDA-CQSZACIVSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)C(C)C)C1 ZINC000884129116 613168882 /nfs/dbraw/zinc/16/88/82/613168882.db2.gz XXMBILUTQPRFDA-CQSZACIVSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000923571395 613172326 /nfs/dbraw/zinc/17/23/26/613172326.db2.gz WYKPODSABJAJCS-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000923571395 613172327 /nfs/dbraw/zinc/17/23/27/613172327.db2.gz WYKPODSABJAJCS-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000923596087 613182392 /nfs/dbraw/zinc/18/23/92/613182392.db2.gz ZGEAZKQMTSWEGR-HOCLYGCPSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000923596087 613182393 /nfs/dbraw/zinc/18/23/93/613182393.db2.gz ZGEAZKQMTSWEGR-HOCLYGCPSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000923596087 613182394 /nfs/dbraw/zinc/18/23/94/613182394.db2.gz ZGEAZKQMTSWEGR-HOCLYGCPSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000923596087 613182395 /nfs/dbraw/zinc/18/23/95/613182395.db2.gz ZGEAZKQMTSWEGR-HOCLYGCPSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC2)C1 ZINC000890367652 613182956 /nfs/dbraw/zinc/18/29/56/613182956.db2.gz QURYKOBLFDFCJE-AWEZNQCLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC2)C1 ZINC000890367652 613182957 /nfs/dbraw/zinc/18/29/57/613182957.db2.gz QURYKOBLFDFCJE-AWEZNQCLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000890367652 613182958 /nfs/dbraw/zinc/18/29/58/613182958.db2.gz QURYKOBLFDFCJE-AWEZNQCLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000890367652 613182959 /nfs/dbraw/zinc/18/29/59/613182959.db2.gz QURYKOBLFDFCJE-AWEZNQCLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC000923571398 613189666 /nfs/dbraw/zinc/18/96/66/613189666.db2.gz WYKPODSABJAJCS-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC000923571398 613189667 /nfs/dbraw/zinc/18/96/67/613189667.db2.gz WYKPODSABJAJCS-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C[NH+]=C(NCC[NH+]1CCC(O)CC1)NCc1ccco1 ZINC000849037734 613219369 /nfs/dbraw/zinc/21/93/69/613219369.db2.gz AIYSLUOCSXKBBR-UHFFFAOYSA-N 2 1 280.372 0.401 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947933800 613257196 /nfs/dbraw/zinc/25/71/96/613257196.db2.gz GWVUINARAOFPFY-KBPBESRZSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC000978438493 613311198 /nfs/dbraw/zinc/31/11/98/613311198.db2.gz MBKVZVCGUDQLDP-PHZGNYQRSA-N 2 1 294.358 0.875 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979047388 613343784 /nfs/dbraw/zinc/34/37/84/613343784.db2.gz FWUQSYDCRPASKJ-TUVASFSCSA-N 2 1 277.412 0.808 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979047388 613343785 /nfs/dbraw/zinc/34/37/85/613343785.db2.gz FWUQSYDCRPASKJ-TUVASFSCSA-N 2 1 277.412 0.808 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979047388 613343786 /nfs/dbraw/zinc/34/37/86/613343786.db2.gz FWUQSYDCRPASKJ-TUVASFSCSA-N 2 1 277.412 0.808 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000907543384 613363790 /nfs/dbraw/zinc/36/37/90/613363790.db2.gz FFJCKJHAZCVKAQ-ZDUSSCGKSA-N 2 1 269.389 0.019 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000907543384 613363791 /nfs/dbraw/zinc/36/37/91/613363791.db2.gz FFJCKJHAZCVKAQ-ZDUSSCGKSA-N 2 1 269.389 0.019 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000907601970 613363856 /nfs/dbraw/zinc/36/38/56/613363856.db2.gz AJCSTJHBJITKRM-CQSZACIVSA-N 2 1 297.443 0.798 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000900441717 613365110 /nfs/dbraw/zinc/36/51/10/613365110.db2.gz NBUZUASHBJULLN-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000900613117 613365219 /nfs/dbraw/zinc/36/52/19/613365219.db2.gz ILUSIZZCTBCZLS-AWEZNQCLSA-N 2 1 282.432 0.246 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000901141432 613365269 /nfs/dbraw/zinc/36/52/69/613365269.db2.gz RHPAXGSWDKZLGB-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000901141432 613365270 /nfs/dbraw/zinc/36/52/70/613365270.db2.gz RHPAXGSWDKZLGB-QWHCGFSZSA-N 2 1 269.389 0.330 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981196689 613550448 /nfs/dbraw/zinc/55/04/48/613550448.db2.gz RIXJTGFUGBMHOR-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981196689 613550450 /nfs/dbraw/zinc/55/04/50/613550450.db2.gz RIXJTGFUGBMHOR-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981196689 613550453 /nfs/dbraw/zinc/55/04/53/613550453.db2.gz RIXJTGFUGBMHOR-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981196689 613550454 /nfs/dbraw/zinc/55/04/54/613550454.db2.gz RIXJTGFUGBMHOR-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000962593969 613564532 /nfs/dbraw/zinc/56/45/32/613564532.db2.gz VFMSXMMSDVPMCJ-MQYQWHSLSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962593969 613564535 /nfs/dbraw/zinc/56/45/35/613564535.db2.gz VFMSXMMSDVPMCJ-MQYQWHSLSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962593969 613564539 /nfs/dbraw/zinc/56/45/39/613564539.db2.gz VFMSXMMSDVPMCJ-MQYQWHSLSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000980413180 613616916 /nfs/dbraw/zinc/61/69/16/613616916.db2.gz ROQZOQUPOKLFDW-HUUCEWRRSA-N 2 1 295.427 0.673 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962587960 613636694 /nfs/dbraw/zinc/63/66/94/613636694.db2.gz LZXMGDAJIJDJND-MQYQWHSLSA-N 2 1 261.369 0.008 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000962587960 613636698 /nfs/dbraw/zinc/63/66/98/613636698.db2.gz LZXMGDAJIJDJND-MQYQWHSLSA-N 2 1 261.369 0.008 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000962587960 613636699 /nfs/dbraw/zinc/63/66/99/613636699.db2.gz LZXMGDAJIJDJND-MQYQWHSLSA-N 2 1 261.369 0.008 20 30 CCEDMP C=CC[NH+]1CCC(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923607482 613675476 /nfs/dbraw/zinc/67/54/76/613675476.db2.gz YBSHFJXFGSZEHV-CYBMUJFWSA-N 2 1 287.429 0.308 20 30 CCEDMP C=CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981960051 613692583 /nfs/dbraw/zinc/69/25/83/613692583.db2.gz RKTOPNBNHIINET-UONOGXRCSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000981960051 613692581 /nfs/dbraw/zinc/69/25/81/613692581.db2.gz RKTOPNBNHIINET-UONOGXRCSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981960051 613692585 /nfs/dbraw/zinc/69/25/85/613692585.db2.gz RKTOPNBNHIINET-UONOGXRCSA-N 2 1 265.401 0.904 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000913523651 615859584 /nfs/dbraw/zinc/85/95/84/615859584.db2.gz HLWLOIYDCKKITO-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000913523210 615861823 /nfs/dbraw/zinc/86/18/23/615861823.db2.gz QEQMJZJRRUIRJJ-UHFFFAOYSA-N 2 1 283.335 0.562 20 30 CCEDMP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876733379 616196412 /nfs/dbraw/zinc/19/64/12/616196412.db2.gz WTJPKFZIQGTUNP-ZBFHGGJFSA-N 2 1 298.390 0.955 20 30 CCEDMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876733379 616196413 /nfs/dbraw/zinc/19/64/13/616196413.db2.gz WTJPKFZIQGTUNP-ZBFHGGJFSA-N 2 1 298.390 0.955 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001026148942 625343541 /nfs/dbraw/zinc/34/35/41/625343541.db2.gz GRFFTFYHVVPXQC-NBFUAULTSA-N 2 1 289.423 0.929 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001023290689 622984439 /nfs/dbraw/zinc/98/44/39/622984439.db2.gz AGFROWWCGIUNLE-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023290689 622984453 /nfs/dbraw/zinc/98/44/53/622984453.db2.gz AGFROWWCGIUNLE-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023290689 622984463 /nfs/dbraw/zinc/98/44/63/622984463.db2.gz AGFROWWCGIUNLE-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023290689 622984473 /nfs/dbraw/zinc/98/44/73/622984473.db2.gz AGFROWWCGIUNLE-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023290689 622984480 /nfs/dbraw/zinc/98/44/80/622984480.db2.gz AGFROWWCGIUNLE-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372156 623016576 /nfs/dbraw/zinc/01/65/76/623016576.db2.gz OQORUFAASRPORP-HOCLYGCPSA-N 2 1 289.423 0.790 20 30 CCEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024506104 623342389 /nfs/dbraw/zinc/34/23/89/623342389.db2.gz JIBIFQVDCIRQFX-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024506104 623342396 /nfs/dbraw/zinc/34/23/96/623342396.db2.gz JIBIFQVDCIRQFX-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506104 623342405 /nfs/dbraw/zinc/34/24/05/623342405.db2.gz JIBIFQVDCIRQFX-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506104 623342409 /nfs/dbraw/zinc/34/24/09/623342409.db2.gz JIBIFQVDCIRQFX-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP CCCCCCNC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000170912717 623813602 /nfs/dbraw/zinc/81/36/02/623813602.db2.gz JLBIVFKIOYNAPP-UHFFFAOYSA-N 2 1 297.447 0.635 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027580740 630772038 /nfs/dbraw/zinc/77/20/38/630772038.db2.gz AAMQDRDWROVHIW-KBPBESRZSA-N 2 1 265.401 0.883 20 30 CCEDMP CC[C@]1(C)CCN(C(NC[C@@H]2C[N@@H+](C)CCN2C)=[NH+]C)C1 ZINC000261735169 631560413 /nfs/dbraw/zinc/56/04/13/631560413.db2.gz JWKKPXQRPGORGU-GDBMZVCRSA-N 2 1 295.475 0.930 20 30 CCEDMP C[NH+]=C(NC1CCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261739889 631562402 /nfs/dbraw/zinc/56/24/02/631562402.db2.gz MIYMLBQPUBVUFW-CYBMUJFWSA-N 2 1 280.416 0.768 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOC(C)C ZINC000305831324 631857119 /nfs/dbraw/zinc/85/71/19/631857119.db2.gz UJUVBQDAVHVHJB-GFCCVEGCSA-N 2 1 256.394 0.800 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985328562 632436346 /nfs/dbraw/zinc/43/63/46/632436346.db2.gz VTCBJXGFZLYHRN-CQSZACIVSA-N 2 1 263.385 0.637 20 30 CCEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000985351562 632445955 /nfs/dbraw/zinc/44/59/55/632445955.db2.gz GXRDMKXVIZJDJO-OAHLLOKOSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000985351562 632445963 /nfs/dbraw/zinc/44/59/63/632445963.db2.gz GXRDMKXVIZJDJO-OAHLLOKOSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000985351562 632445969 /nfs/dbraw/zinc/44/59/69/632445969.db2.gz GXRDMKXVIZJDJO-OAHLLOKOSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000985351562 632445977 /nfs/dbraw/zinc/44/59/77/632445977.db2.gz GXRDMKXVIZJDJO-OAHLLOKOSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000986458427 632760053 /nfs/dbraw/zinc/76/00/53/632760053.db2.gz ZYYYLBPKNZKEEV-AAEUAGOBSA-N 2 1 290.367 0.562 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000986567105 632772772 /nfs/dbraw/zinc/77/27/72/632772772.db2.gz PVBOGHBJWURVKU-OLZOCXBDSA-N 2 1 262.357 0.957 20 30 CCEDMP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989562129 633329382 /nfs/dbraw/zinc/32/93/82/633329382.db2.gz NBBNLIAXZGLDBK-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3cncc3C)CCC[C@@H]12 ZINC000991864135 637104126 /nfs/dbraw/zinc/10/41/26/637104126.db2.gz UOXINTLXGBAKQK-ZBFHGGJFSA-N 2 1 286.379 0.938 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991864135 637104131 /nfs/dbraw/zinc/10/41/31/637104131.db2.gz UOXINTLXGBAKQK-ZBFHGGJFSA-N 2 1 286.379 0.938 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3cncc3C)CCC[C@H]12 ZINC000991864131 637104341 /nfs/dbraw/zinc/10/43/41/637104341.db2.gz UOXINTLXGBAKQK-HOCLYGCPSA-N 2 1 286.379 0.938 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991864131 637104345 /nfs/dbraw/zinc/10/43/45/637104345.db2.gz UOXINTLXGBAKQK-HOCLYGCPSA-N 2 1 286.379 0.938 20 30 CCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992473983 637442649 /nfs/dbraw/zinc/44/26/49/637442649.db2.gz GNRLZHDYTUPSLD-OFQRWUPVSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992473983 637442655 /nfs/dbraw/zinc/44/26/55/637442655.db2.gz GNRLZHDYTUPSLD-OFQRWUPVSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992473983 637442660 /nfs/dbraw/zinc/44/26/60/637442660.db2.gz GNRLZHDYTUPSLD-OFQRWUPVSA-N 2 1 275.396 0.685 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCCO1 ZINC000261981305 637510662 /nfs/dbraw/zinc/51/06/62/637510662.db2.gz HZQACPYFXAVVSX-STQMWFEESA-N 2 1 268.405 0.944 20 30 CCEDMP Cc1cc(C=NNC(N)=[NH2+])c(C)n1CC[NH+]1CCOCC1 ZINC000915958955 637881101 /nfs/dbraw/zinc/88/11/01/637881101.db2.gz FHLCXNGOYXGXSL-UHFFFAOYSA-N 2 1 292.387 0.254 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1(C)C ZINC000995923747 638804614 /nfs/dbraw/zinc/80/46/14/638804614.db2.gz NQAIEOUWORFHTE-YRGRVCCFSA-N 2 1 286.379 0.973 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014495148 650456937 /nfs/dbraw/zinc/45/69/37/650456937.db2.gz RATHNOWFPQIQTK-FRRDWIJNSA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014495148 650456938 /nfs/dbraw/zinc/45/69/38/650456938.db2.gz RATHNOWFPQIQTK-FRRDWIJNSA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014495148 650456939 /nfs/dbraw/zinc/45/69/39/650456939.db2.gz RATHNOWFPQIQTK-FRRDWIJNSA-N 2 1 251.374 0.703 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998827134 638944753 /nfs/dbraw/zinc/94/47/53/638944753.db2.gz QOKHHZMYVHWTOA-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998827134 638944755 /nfs/dbraw/zinc/94/47/55/638944755.db2.gz QOKHHZMYVHWTOA-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998827136 638944799 /nfs/dbraw/zinc/94/47/99/638944799.db2.gz QOKHHZMYVHWTOA-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998827136 638944801 /nfs/dbraw/zinc/94/48/01/638944801.db2.gz QOKHHZMYVHWTOA-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001000195119 639051454 /nfs/dbraw/zinc/05/14/54/639051454.db2.gz XKBQXKVSJYKATQ-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001014628990 650469106 /nfs/dbraw/zinc/46/91/06/650469106.db2.gz KGWTYLCQYMLGJT-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001014628990 650469107 /nfs/dbraw/zinc/46/91/07/650469107.db2.gz KGWTYLCQYMLGJT-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001014628990 650469109 /nfs/dbraw/zinc/46/91/09/650469109.db2.gz KGWTYLCQYMLGJT-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001014628990 650469110 /nfs/dbraw/zinc/46/91/10/650469110.db2.gz KGWTYLCQYMLGJT-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014716112 650481007 /nfs/dbraw/zinc/48/10/07/650481007.db2.gz IHWAKTDYXGAXBY-LSDHHAIUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014716112 650481008 /nfs/dbraw/zinc/48/10/08/650481008.db2.gz IHWAKTDYXGAXBY-LSDHHAIUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014716112 650481009 /nfs/dbraw/zinc/48/10/09/650481009.db2.gz IHWAKTDYXGAXBY-LSDHHAIUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014716112 650481011 /nfs/dbraw/zinc/48/10/11/650481011.db2.gz IHWAKTDYXGAXBY-LSDHHAIUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001001237493 639265409 /nfs/dbraw/zinc/26/54/09/639265409.db2.gz HVMCQCFYQJLBIP-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001001277336 639271248 /nfs/dbraw/zinc/27/12/48/639271248.db2.gz BACTUBIISDWYMI-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001001277336 639271251 /nfs/dbraw/zinc/27/12/51/639271251.db2.gz BACTUBIISDWYMI-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001419623 639298127 /nfs/dbraw/zinc/29/81/27/639298127.db2.gz YIBOWFJFXFEXBK-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003632561 639582775 /nfs/dbraw/zinc/58/27/75/639582775.db2.gz ARROVFYGDJEYIS-ZFWWWQNUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001014963669 650509214 /nfs/dbraw/zinc/50/92/14/650509214.db2.gz OEVOIUJFQUYSIA-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001014963669 650509216 /nfs/dbraw/zinc/50/92/16/650509216.db2.gz OEVOIUJFQUYSIA-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014963669 650509219 /nfs/dbraw/zinc/50/92/19/650509219.db2.gz OEVOIUJFQUYSIA-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014963669 650509223 /nfs/dbraw/zinc/50/92/23/650509223.db2.gz OEVOIUJFQUYSIA-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923478667 640159013 /nfs/dbraw/zinc/15/90/13/640159013.db2.gz FZWZREAQJXBWFT-CABCVRRESA-N 2 1 289.379 0.969 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015997409 650671763 /nfs/dbraw/zinc/67/17/63/650671763.db2.gz BXFSJSFOFSDOQG-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015997409 650671766 /nfs/dbraw/zinc/67/17/66/650671766.db2.gz BXFSJSFOFSDOQG-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015997409 650671768 /nfs/dbraw/zinc/67/17/68/650671768.db2.gz BXFSJSFOFSDOQG-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016259029 650706983 /nfs/dbraw/zinc/70/69/83/650706983.db2.gz BWRNBFZXDJJYJT-CYBMUJFWSA-N 2 1 260.341 0.405 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016259029 650706985 /nfs/dbraw/zinc/70/69/85/650706985.db2.gz BWRNBFZXDJJYJT-CYBMUJFWSA-N 2 1 260.341 0.405 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001016302077 650714824 /nfs/dbraw/zinc/71/48/24/650714824.db2.gz IXMMTKGRRHHYTK-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001016302077 650714828 /nfs/dbraw/zinc/71/48/28/650714828.db2.gz IXMMTKGRRHHYTK-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016302077 650714831 /nfs/dbraw/zinc/71/48/31/650714831.db2.gz IXMMTKGRRHHYTK-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016302077 650714835 /nfs/dbraw/zinc/71/48/35/650714835.db2.gz IXMMTKGRRHHYTK-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[C@@H]1CCC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000829810309 642195056 /nfs/dbraw/zinc/19/50/56/642195056.db2.gz NROPBVGWLZZRLI-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000829810309 642195063 /nfs/dbraw/zinc/19/50/63/642195063.db2.gz NROPBVGWLZZRLI-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000829810309 642195067 /nfs/dbraw/zinc/19/50/67/642195067.db2.gz NROPBVGWLZZRLI-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP C[C@@H]1C[N@@H+](CCCNC2=[NH+]CCN2C)CCCO1 ZINC000849022622 643702747 /nfs/dbraw/zinc/70/27/47/643702747.db2.gz NVMDNXHWEMWDRL-GFCCVEGCSA-N 2 1 254.378 0.378 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001018962585 650925026 /nfs/dbraw/zinc/92/50/26/650925026.db2.gz GCRSVAWBGWMDPS-GJZGRUSLSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001019382924 650968047 /nfs/dbraw/zinc/96/80/47/650968047.db2.gz PICUWNWHTRCGDD-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000129138967 647331133 /nfs/dbraw/zinc/33/11/33/647331133.db2.gz GLXJXWFYOUDNHI-UHFFFAOYSA-N 2 1 266.389 0.417 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000303781947 649824897 /nfs/dbraw/zinc/82/48/97/649824897.db2.gz MSXBBAVVJLRKPO-AWEZNQCLSA-N 3 1 281.448 0.861 20 30 CCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCCCC1 ZINC000303781947 649824899 /nfs/dbraw/zinc/82/48/99/649824899.db2.gz MSXBBAVVJLRKPO-AWEZNQCLSA-N 2 1 281.448 0.861 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCCCC1 ZINC000303781947 649824901 /nfs/dbraw/zinc/82/49/01/649824901.db2.gz MSXBBAVVJLRKPO-AWEZNQCLSA-N 2 1 281.448 0.861 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)nc1 ZINC000303780130 649825009 /nfs/dbraw/zinc/82/50/09/649825009.db2.gz LBPJASMJSDJUNO-ZDUSSCGKSA-N 2 1 291.399 0.979 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303791768 649825261 /nfs/dbraw/zinc/82/52/61/649825261.db2.gz XVPGYXAMLPUORR-RWMBFGLXSA-N 2 1 286.420 0.425 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)C(C)(C)C ZINC000303969195 649827213 /nfs/dbraw/zinc/82/72/13/649827213.db2.gz BOAAURKXHRORGH-GFCCVEGCSA-N 2 1 297.447 0.537 20 30 CCEDMP [NH2+]=C(NCCCC1CC1)NCCC[NH+]1CCOCC1 ZINC000304741826 649837524 /nfs/dbraw/zinc/83/75/24/649837524.db2.gz CHQNJADXSDJCGJ-UHFFFAOYSA-N 2 1 268.405 0.803 20 30 CCEDMP CC(C)CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304765009 649838887 /nfs/dbraw/zinc/83/88/87/649838887.db2.gz YSBZMSJBQBYSPD-GFCCVEGCSA-N 2 1 256.394 0.515 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](C)CC1CC1 ZINC001266285470 790407210 /nfs/dbraw/zinc/40/72/10/790407210.db2.gz ZVPGNNSVVUMZBC-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC1CC1 ZINC001266285470 790407219 /nfs/dbraw/zinc/40/72/19/790407219.db2.gz ZVPGNNSVVUMZBC-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC1CC1 ZINC001266285470 790407233 /nfs/dbraw/zinc/40/72/33/790407233.db2.gz ZVPGNNSVVUMZBC-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CC1 ZINC001266285470 790407243 /nfs/dbraw/zinc/40/72/43/790407243.db2.gz ZVPGNNSVVUMZBC-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CC1 ZINC001266285470 790407252 /nfs/dbraw/zinc/40/72/52/790407252.db2.gz ZVPGNNSVVUMZBC-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](CC)CCF ZINC001266394257 790627439 /nfs/dbraw/zinc/62/74/39/790627439.db2.gz MPVAXFMZZRTXHZ-ZDUSSCGKSA-N 2 1 269.364 0.492 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](CC)CCF ZINC001266394257 790627444 /nfs/dbraw/zinc/62/74/44/790627444.db2.gz MPVAXFMZZRTXHZ-ZDUSSCGKSA-N 2 1 269.364 0.492 20 30 CCEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001266415178 790660866 /nfs/dbraw/zinc/66/08/66/790660866.db2.gz RNIBWWRVVOMRBE-LSDHHAIUSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001266422360 790669681 /nfs/dbraw/zinc/66/96/81/790669681.db2.gz YZLAHYUZEWKZBY-CQSZACIVSA-N 2 1 274.368 0.699 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001020986781 790716057 /nfs/dbraw/zinc/71/60/57/790716057.db2.gz WMNRVHSVYITMMF-YDHLFZDLSA-N 2 1 263.385 0.895 20 30 CCEDMP C=CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001266533690 790886372 /nfs/dbraw/zinc/88/63/72/790886372.db2.gz OHDWLAFOYOEGKT-KGLIPLIRSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001266533690 790886388 /nfs/dbraw/zinc/88/63/88/790886388.db2.gz OHDWLAFOYOEGKT-KGLIPLIRSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001266533690 790886397 /nfs/dbraw/zinc/88/63/97/790886397.db2.gz OHDWLAFOYOEGKT-KGLIPLIRSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266544900 790906123 /nfs/dbraw/zinc/90/61/23/790906123.db2.gz KYCZUTCAHYLWNE-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001266551392 790917168 /nfs/dbraw/zinc/91/71/68/790917168.db2.gz QLRAKZMFQFZJSC-CYBMUJFWSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266551392 790917175 /nfs/dbraw/zinc/91/71/75/790917175.db2.gz QLRAKZMFQFZJSC-CYBMUJFWSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266551392 790917184 /nfs/dbraw/zinc/91/71/84/790917184.db2.gz QLRAKZMFQFZJSC-CYBMUJFWSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001277783579 806042903 /nfs/dbraw/zinc/04/29/03/806042903.db2.gz WMNHPKHZXDGPPM-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001277783579 806042909 /nfs/dbraw/zinc/04/29/09/806042909.db2.gz WMNHPKHZXDGPPM-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266965460 791404964 /nfs/dbraw/zinc/40/49/64/791404964.db2.gz UPQADHLLMLKLAY-OCCSQVGLSA-N 2 1 288.395 0.872 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001267022476 791456658 /nfs/dbraw/zinc/45/66/58/791456658.db2.gz QEGBDHSCPBPVTC-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267226588 791705870 /nfs/dbraw/zinc/70/58/70/791705870.db2.gz XCUJXLBCJNIMAL-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCC[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267226588 791705871 /nfs/dbraw/zinc/70/58/71/791705871.db2.gz XCUJXLBCJNIMAL-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP N#Cc1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)ccc1F ZINC001234982238 806324807 /nfs/dbraw/zinc/32/48/07/806324807.db2.gz NSTUYQFZZINIJT-OAHLLOKOSA-N 2 1 274.343 0.835 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001120574426 798871768 /nfs/dbraw/zinc/87/17/68/798871768.db2.gz LOVYZSUMTZJWKX-ZIAGYGMSSA-N 2 1 268.405 0.124 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001121903513 799088317 /nfs/dbraw/zinc/08/83/17/799088317.db2.gz HVBLAYMBJSBFPR-STQMWFEESA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC001121903513 799088323 /nfs/dbraw/zinc/08/83/23/799088323.db2.gz HVBLAYMBJSBFPR-STQMWFEESA-N 2 1 251.374 0.588 20 30 CCEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122177965 799162003 /nfs/dbraw/zinc/16/20/03/799162003.db2.gz PGEOZTQAJSCJFF-DPGVGJJJSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001278154675 806726175 /nfs/dbraw/zinc/72/61/75/806726175.db2.gz HIFPXGWAAXSFLS-CYBMUJFWSA-N 2 1 283.416 0.054 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001122447468 799237325 /nfs/dbraw/zinc/23/73/25/799237325.db2.gz FPQTXWPBYFYBIX-HZSPNIEDSA-N 2 1 282.432 0.421 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149850067 800303100 /nfs/dbraw/zinc/30/31/00/800303100.db2.gz YJEOWZWEVYRQIJ-GJZGRUSLSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149850067 800303104 /nfs/dbraw/zinc/30/31/04/800303104.db2.gz YJEOWZWEVYRQIJ-GJZGRUSLSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001149936623 800307556 /nfs/dbraw/zinc/30/75/56/800307556.db2.gz JTUDVFVKWGQGAW-CQSZACIVSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001149936623 800307559 /nfs/dbraw/zinc/30/75/59/800307559.db2.gz JTUDVFVKWGQGAW-CQSZACIVSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936623 800307561 /nfs/dbraw/zinc/30/75/61/800307561.db2.gz JTUDVFVKWGQGAW-CQSZACIVSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936623 800307563 /nfs/dbraw/zinc/30/75/63/800307563.db2.gz JTUDVFVKWGQGAW-CQSZACIVSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001154838155 800855287 /nfs/dbraw/zinc/85/52/87/800855287.db2.gz QMEIQIZZKONVAW-CABCVRRESA-N 2 1 295.427 0.555 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001154838155 800855293 /nfs/dbraw/zinc/85/52/93/800855293.db2.gz QMEIQIZZKONVAW-CABCVRRESA-N 2 1 295.427 0.555 20 30 CCEDMP N#CCc1cncc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155376714 800961442 /nfs/dbraw/zinc/96/14/42/800961442.db2.gz NGRUGLSTHZWSAC-AWEZNQCLSA-N 2 1 286.383 0.402 20 30 CCEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155839210 801063593 /nfs/dbraw/zinc/06/35/93/801063593.db2.gz RUHYJQOTLHQJRP-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155839210 801063596 /nfs/dbraw/zinc/06/35/96/801063596.db2.gz RUHYJQOTLHQJRP-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156145464 801117250 /nfs/dbraw/zinc/11/72/50/801117250.db2.gz LDFOOUJPLJYAQA-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156145464 801117254 /nfs/dbraw/zinc/11/72/54/801117254.db2.gz LDFOOUJPLJYAQA-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156374776 801158257 /nfs/dbraw/zinc/15/82/57/801158257.db2.gz XBVJHAHLKCBYFU-CQSZACIVSA-N 2 1 285.432 0.967 20 30 CCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156901063 801259180 /nfs/dbraw/zinc/25/91/80/801259180.db2.gz IZRHBKVVLMPKGH-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001160209713 801919710 /nfs/dbraw/zinc/91/97/10/801919710.db2.gz UJINZKGJQPMQOO-AWEZNQCLSA-N 2 1 261.369 0.203 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001160209713 801919714 /nfs/dbraw/zinc/91/97/14/801919714.db2.gz UJINZKGJQPMQOO-AWEZNQCLSA-N 2 1 261.369 0.203 20 30 CCEDMP Cc1nc(C#N)cnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160514467 801957433 /nfs/dbraw/zinc/95/74/33/801957433.db2.gz XJNVYMUTKMFIRJ-AWEZNQCLSA-N 2 1 272.356 0.492 20 30 CCEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163940925 802638171 /nfs/dbraw/zinc/63/81/71/802638171.db2.gz SGKITERVFWUJFG-AWEZNQCLSA-N 2 1 295.427 0.769 20 30 CCEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940925 802638178 /nfs/dbraw/zinc/63/81/78/802638178.db2.gz SGKITERVFWUJFG-AWEZNQCLSA-N 2 1 295.427 0.769 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164539277 802759393 /nfs/dbraw/zinc/75/93/93/802759393.db2.gz VQNPGUXYRXQLSW-ZDUSSCGKSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164574551 802768531 /nfs/dbraw/zinc/76/85/31/802768531.db2.gz QAOFPMVKDXDLCE-STQMWFEESA-N 2 1 253.390 0.999 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166627149 802927048 /nfs/dbraw/zinc/92/70/48/802927048.db2.gz RBBCDKHBPNSNJT-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP N#Cc1ccc(CCC[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206512637 803256675 /nfs/dbraw/zinc/25/66/75/803256675.db2.gz SALGAIPFIBCZIO-GJZGRUSLSA-N 2 1 259.353 0.742 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001276596243 803551250 /nfs/dbraw/zinc/55/12/50/803551250.db2.gz WZXSFVXCHTVJHM-CABCVRRESA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001276640178 803600851 /nfs/dbraw/zinc/60/08/51/803600851.db2.gz AAARCNNGOUGHRB-UONOGXRCSA-N 2 1 263.385 0.588 20 30 CCEDMP Cn1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(C#N)n1 ZINC001210262985 803643773 /nfs/dbraw/zinc/64/37/73/803643773.db2.gz PCFSMQOJCIHGIX-UHFFFAOYSA-N 2 1 283.339 0.840 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001210811036 803660897 /nfs/dbraw/zinc/66/08/97/803660897.db2.gz IPNLQGAWBVEEKG-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211025586 803664937 /nfs/dbraw/zinc/66/49/37/803664937.db2.gz MNIOFSZLBACQKK-QLFBSQMISA-N 2 1 293.411 0.024 20 30 CCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211025586 803664941 /nfs/dbraw/zinc/66/49/41/803664941.db2.gz MNIOFSZLBACQKK-QLFBSQMISA-N 2 1 293.411 0.024 20 30 CCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211025586 803664944 /nfs/dbraw/zinc/66/49/44/803664944.db2.gz MNIOFSZLBACQKK-QLFBSQMISA-N 2 1 293.411 0.024 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335936 803735359 /nfs/dbraw/zinc/73/53/59/803735359.db2.gz ODAWGTHFLQIQPZ-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C[C@H]1C ZINC001214878717 803763189 /nfs/dbraw/zinc/76/31/89/803763189.db2.gz CSGXOVVOKHWUOZ-OAGGEKHMSA-N 2 1 287.407 0.544 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C[C@H]1C ZINC001214878717 803763194 /nfs/dbraw/zinc/76/31/94/803763194.db2.gz CSGXOVVOKHWUOZ-OAGGEKHMSA-N 2 1 287.407 0.544 20 30 CCEDMP C[N@@H+](CCC[NH3+])C[C@H](O)COc1ccc(C#N)cc1 ZINC000402210921 803816680 /nfs/dbraw/zinc/81/66/80/803816680.db2.gz JFCOQMYWLSRPLV-ZDUSSCGKSA-N 2 1 263.341 0.579 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801767 803856422 /nfs/dbraw/zinc/85/64/22/803856422.db2.gz UOPFLJYILUQDKT-KFWWJZLASA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801767 803856431 /nfs/dbraw/zinc/85/64/31/803856431.db2.gz UOPFLJYILUQDKT-KFWWJZLASA-N 2 1 293.411 0.167 20 30 CCEDMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1nc[nH]c1C#N ZINC001218594876 804028006 /nfs/dbraw/zinc/02/80/06/804028006.db2.gz MWYAKPQAAQRELQ-VIFPVBQESA-N 2 1 264.333 0.279 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083455631 815013517 /nfs/dbraw/zinc/01/35/17/815013517.db2.gz LOJULEKAVUPZQN-ILXRZTDVSA-N 2 1 293.411 0.044 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083455631 815013522 /nfs/dbraw/zinc/01/35/22/815013522.db2.gz LOJULEKAVUPZQN-ILXRZTDVSA-N 2 1 293.411 0.044 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455631 815013528 /nfs/dbraw/zinc/01/35/28/815013528.db2.gz LOJULEKAVUPZQN-ILXRZTDVSA-N 2 1 293.411 0.044 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455631 815013532 /nfs/dbraw/zinc/01/35/32/815013532.db2.gz LOJULEKAVUPZQN-ILXRZTDVSA-N 2 1 293.411 0.044 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805366 804425236 /nfs/dbraw/zinc/42/52/36/804425236.db2.gz DXUQGTLMLTZAIM-QLFBSQMISA-N 2 1 295.427 0.454 20 30 CCEDMP N#C[C@H]1CC[C@H](NC(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001220095413 804497423 /nfs/dbraw/zinc/49/74/23/804497423.db2.gz YGTHQUDSYXAEJI-AULYBMBSSA-N 2 1 264.373 0.527 20 30 CCEDMP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001276816111 804664600 /nfs/dbraw/zinc/66/46/00/804664600.db2.gz YFHVSCVILDTACA-OCCSQVGLSA-N 2 1 290.367 0.030 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220817413 804672856 /nfs/dbraw/zinc/67/28/56/804672856.db2.gz VSJPZZMOAPPUPP-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001220868619 804685530 /nfs/dbraw/zinc/68/55/30/804685530.db2.gz MIZGIKHYTLPMGZ-YNEHKIRRSA-N 2 1 251.374 0.880 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220918678 804701044 /nfs/dbraw/zinc/70/10/44/804701044.db2.gz BHDCWCNBKWVLNJ-DOMZBBRYSA-N 2 1 263.385 0.860 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220918678 804701047 /nfs/dbraw/zinc/70/10/47/804701047.db2.gz BHDCWCNBKWVLNJ-DOMZBBRYSA-N 2 1 263.385 0.860 20 30 CCEDMP C#CC1(NC(=O)C[NH2+]C2CC[NH2+]CC2)CCCCC1 ZINC001221275718 804761659 /nfs/dbraw/zinc/76/16/59/804761659.db2.gz HLAZICAUPGSZJL-UHFFFAOYSA-N 2 1 263.385 0.780 20 30 CCEDMP C=CC[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001272172880 815037299 /nfs/dbraw/zinc/03/72/99/815037299.db2.gz RCDFQXNQPLKNSH-UHFFFAOYSA-N 2 1 250.346 0.768 20 30 CCEDMP C=CC[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001272172880 815037303 /nfs/dbraw/zinc/03/73/03/815037303.db2.gz RCDFQXNQPLKNSH-UHFFFAOYSA-N 2 1 250.346 0.768 20 30 CCEDMP C#CCN1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]2C1 ZINC001221657311 804833767 /nfs/dbraw/zinc/83/37/67/804833767.db2.gz QZIZODCTLGGHBQ-ZIAGYGMSSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]2C1 ZINC001221657311 804833773 /nfs/dbraw/zinc/83/37/73/804833773.db2.gz QZIZODCTLGGHBQ-ZIAGYGMSSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]2C1 ZINC001221657311 804833779 /nfs/dbraw/zinc/83/37/79/804833779.db2.gz QZIZODCTLGGHBQ-ZIAGYGMSSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]2C1 ZINC001221657311 804833788 /nfs/dbraw/zinc/83/37/88/804833788.db2.gz QZIZODCTLGGHBQ-ZIAGYGMSSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221878241 804850776 /nfs/dbraw/zinc/85/07/76/804850776.db2.gz IRBLEFPAWSIPBZ-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221878241 804850785 /nfs/dbraw/zinc/85/07/85/804850785.db2.gz IRBLEFPAWSIPBZ-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221919432 804854272 /nfs/dbraw/zinc/85/42/72/804854272.db2.gz OXVJCCUNSDPCAI-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221919432 804854274 /nfs/dbraw/zinc/85/42/74/804854274.db2.gz OXVJCCUNSDPCAI-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919432 804854284 /nfs/dbraw/zinc/85/42/84/804854284.db2.gz OXVJCCUNSDPCAI-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919432 804854291 /nfs/dbraw/zinc/85/42/91/804854291.db2.gz OXVJCCUNSDPCAI-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H]1C ZINC001088658474 815051145 /nfs/dbraw/zinc/05/11/45/815051145.db2.gz CDBZWJJPBALUNH-APIJFGDWSA-N 2 1 295.427 0.861 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658474 815051157 /nfs/dbraw/zinc/05/11/57/815051157.db2.gz CDBZWJJPBALUNH-APIJFGDWSA-N 2 1 295.427 0.861 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658474 815051163 /nfs/dbraw/zinc/05/11/63/815051163.db2.gz CDBZWJJPBALUNH-APIJFGDWSA-N 2 1 295.427 0.861 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658474 815051169 /nfs/dbraw/zinc/05/11/69/815051169.db2.gz CDBZWJJPBALUNH-APIJFGDWSA-N 2 1 295.427 0.861 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225524666 805139223 /nfs/dbraw/zinc/13/92/23/805139223.db2.gz IKMPKBCESXVWRN-RBSFLKMASA-N 2 1 293.411 0.357 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225524666 805139227 /nfs/dbraw/zinc/13/92/27/805139227.db2.gz IKMPKBCESXVWRN-RBSFLKMASA-N 2 1 293.411 0.357 20 30 CCEDMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001277087874 805181446 /nfs/dbraw/zinc/18/14/46/805181446.db2.gz RXDUBSFOAUWTRM-IHRRRGAJSA-N 2 1 263.385 0.446 20 30 CCEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001278411328 807087799 /nfs/dbraw/zinc/08/77/99/807087799.db2.gz UAVPYGIYAAJSHH-HNNXBMFYSA-N 2 1 274.368 0.795 20 30 CCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001278411328 807087808 /nfs/dbraw/zinc/08/78/08/807087808.db2.gz UAVPYGIYAAJSHH-HNNXBMFYSA-N 2 1 274.368 0.795 20 30 CCEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246486204 807262109 /nfs/dbraw/zinc/26/21/09/807262109.db2.gz DOUGZLARAYAPSQ-IUODEOHRSA-N 2 1 258.369 0.640 20 30 CCEDMP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001252488221 807891506 /nfs/dbraw/zinc/89/15/06/807891506.db2.gz IGPSRLQDGSWUFR-CQSZACIVSA-N 2 1 254.374 0.766 20 30 CCEDMP C=CCC[C@@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001252617647 807920184 /nfs/dbraw/zinc/92/01/84/807920184.db2.gz HQQSUGKUSPWRHS-CQSZACIVSA-N 2 1 255.406 0.541 20 30 CCEDMP C=C[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001253582275 808089965 /nfs/dbraw/zinc/08/99/65/808089965.db2.gz MTZORFVBHHYSNE-BARDWOONSA-N 2 1 291.399 0.220 20 30 CCEDMP C=C[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001253582275 808089971 /nfs/dbraw/zinc/08/99/71/808089971.db2.gz MTZORFVBHHYSNE-BARDWOONSA-N 2 1 291.399 0.220 20 30 CCEDMP C=C[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001253582275 808089977 /nfs/dbraw/zinc/08/99/77/808089977.db2.gz MTZORFVBHHYSNE-BARDWOONSA-N 2 1 291.399 0.220 20 30 CCEDMP C=C[C@@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001253582275 808089980 /nfs/dbraw/zinc/08/99/80/808089980.db2.gz MTZORFVBHHYSNE-BARDWOONSA-N 2 1 291.399 0.220 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001278761304 808179444 /nfs/dbraw/zinc/17/94/44/808179444.db2.gz DFUUTTNNPYGMDI-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278815500 808280675 /nfs/dbraw/zinc/28/06/75/808280675.db2.gz FNGITXLCCMBOHY-ZBFHGGJFSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1OCC ZINC001263975304 809614435 /nfs/dbraw/zinc/61/44/35/809614435.db2.gz DJNLYVSEMKWXOU-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001264377341 809647005 /nfs/dbraw/zinc/64/70/05/809647005.db2.gz ZUWXMXKWRBYLGN-CQSZACIVSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001264377341 809647008 /nfs/dbraw/zinc/64/70/08/809647008.db2.gz ZUWXMXKWRBYLGN-CQSZACIVSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076569045 815312810 /nfs/dbraw/zinc/31/28/10/815312810.db2.gz HRMIQULMJFYKRI-MELADBBJSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076569045 815312817 /nfs/dbraw/zinc/31/28/17/815312817.db2.gz HRMIQULMJFYKRI-MELADBBJSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076569045 815312822 /nfs/dbraw/zinc/31/28/22/815312822.db2.gz HRMIQULMJFYKRI-MELADBBJSA-N 2 1 261.369 0.104 20 30 CCEDMP C=C(C)C[N@H+](C)CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001265068430 809703831 /nfs/dbraw/zinc/70/38/31/809703831.db2.gz JYYUMQRRFMBCRV-OAHLLOKOSA-N 2 1 297.443 0.969 20 30 CCEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265561856 809805250 /nfs/dbraw/zinc/80/52/50/809805250.db2.gz MNUUZYABLFVXEG-GASCZTMLSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001265628225 809816136 /nfs/dbraw/zinc/81/61/36/809816136.db2.gz SFCSREWPRVFEBY-OAHLLOKOSA-N 2 1 293.411 0.170 20 30 CCEDMP CC#CC[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001266188657 809957465 /nfs/dbraw/zinc/95/74/65/809957465.db2.gz CYHLYGXTISMJQL-GFCCVEGCSA-N 2 1 262.357 0.699 20 30 CCEDMP C#CCC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001279436657 809978546 /nfs/dbraw/zinc/97/85/46/809978546.db2.gz MRBWQXYGFFPLMV-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001267294336 811110559 /nfs/dbraw/zinc/11/05/59/811110559.db2.gz GOSPWMYUUNWEGR-ZDUSSCGKSA-N 2 1 274.368 0.804 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001267294336 811110565 /nfs/dbraw/zinc/11/05/65/811110565.db2.gz GOSPWMYUUNWEGR-ZDUSSCGKSA-N 2 1 274.368 0.804 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077002756 815430528 /nfs/dbraw/zinc/43/05/28/815430528.db2.gz FXSRTOGWNZZKLD-RBSFLKMASA-N 2 1 293.411 0.066 20 30 CCEDMP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001267380250 811248326 /nfs/dbraw/zinc/24/83/26/811248326.db2.gz SPEROTHQWNWOHD-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001267429188 811300148 /nfs/dbraw/zinc/30/01/48/811300148.db2.gz RWSFOBQFERBMDX-CYBMUJFWSA-N 2 1 276.384 0.988 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267750165 811744092 /nfs/dbraw/zinc/74/40/92/811744092.db2.gz YORFFYAJNAUTMC-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267750165 811744098 /nfs/dbraw/zinc/74/40/98/811744098.db2.gz YORFFYAJNAUTMC-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[NH2+][C@H](CC)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001267820184 811816113 /nfs/dbraw/zinc/81/61/13/811816113.db2.gz OAHTYCNVOBIIHL-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001267864328 811843498 /nfs/dbraw/zinc/84/34/98/811843498.db2.gz BJSCJULGZVXZCF-CZUORRHYSA-N 2 1 277.412 0.836 20 30 CCEDMP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267982317 811922374 /nfs/dbraw/zinc/92/23/74/811922374.db2.gz CVFTWUYATUMQLJ-KBPBESRZSA-N 2 1 283.416 0.625 20 30 CCEDMP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267982317 811922378 /nfs/dbraw/zinc/92/23/78/811922378.db2.gz CVFTWUYATUMQLJ-KBPBESRZSA-N 2 1 283.416 0.625 20 30 CCEDMP Cc1nc(Cl)c(C#N)c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167877591 812372256 /nfs/dbraw/zinc/37/22/56/812372256.db2.gz FXJJKMSSLCSCOT-UHFFFAOYSA-N 2 1 281.751 0.985 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)CCC)C(C)C ZINC001268221103 812372747 /nfs/dbraw/zinc/37/27/47/812372747.db2.gz FINYDRAAJCEWAV-ZDUSSCGKSA-N 2 1 253.390 0.692 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213920196 812422673 /nfs/dbraw/zinc/42/26/73/812422673.db2.gz QTFYECIQFXWCGE-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213920196 812422676 /nfs/dbraw/zinc/42/26/76/812422676.db2.gz QTFYECIQFXWCGE-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268400202 812545833 /nfs/dbraw/zinc/54/58/33/812545833.db2.gz SQTVCBSVYOYHIU-GXTWGEPZSA-N 2 1 288.395 0.872 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028545895 812834467 /nfs/dbraw/zinc/83/44/67/812834467.db2.gz UQYRWTCRKBRFHW-HIFRSBDPSA-N 2 1 277.412 0.952 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001028580379 812863411 /nfs/dbraw/zinc/86/34/11/812863411.db2.gz VNSJFIRZAYUFAS-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001028580379 812863420 /nfs/dbraw/zinc/86/34/20/812863420.db2.gz VNSJFIRZAYUFAS-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001028580379 812863429 /nfs/dbraw/zinc/86/34/29/812863429.db2.gz VNSJFIRZAYUFAS-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC=C ZINC001268733522 813048844 /nfs/dbraw/zinc/04/88/44/813048844.db2.gz HZNZEYGBHAQOSQ-KGLIPLIRSA-N 2 1 263.385 0.707 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC=C ZINC001268733522 813048850 /nfs/dbraw/zinc/04/88/50/813048850.db2.gz HZNZEYGBHAQOSQ-KGLIPLIRSA-N 2 1 263.385 0.707 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC=C ZINC001268733522 813048859 /nfs/dbraw/zinc/04/88/59/813048859.db2.gz HZNZEYGBHAQOSQ-KGLIPLIRSA-N 2 1 263.385 0.707 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC=C ZINC001268733522 813048871 /nfs/dbraw/zinc/04/88/71/813048871.db2.gz HZNZEYGBHAQOSQ-KGLIPLIRSA-N 2 1 263.385 0.707 20 30 CCEDMP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001268747562 813060742 /nfs/dbraw/zinc/06/07/42/813060742.db2.gz SBUOYYBNRAZHQE-JSGCOSHPSA-N 2 1 288.395 0.824 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001268747562 813060749 /nfs/dbraw/zinc/06/07/49/813060749.db2.gz SBUOYYBNRAZHQE-JSGCOSHPSA-N 2 1 288.395 0.824 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)CC[N@H+](C)CC)C1CC1 ZINC001269134973 813233507 /nfs/dbraw/zinc/23/35/07/813233507.db2.gz FTILDZJFCGMQSB-ZDUSSCGKSA-N 2 1 251.374 0.446 20 30 CCEDMP C=CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001269145217 813238484 /nfs/dbraw/zinc/23/84/84/813238484.db2.gz PCRGITOPDOPELC-CYBMUJFWSA-N 2 1 262.357 0.862 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001269540583 813408226 /nfs/dbraw/zinc/40/82/26/813408226.db2.gz GOZGBVLDQWFUGJ-CYBMUJFWSA-N 2 1 281.400 0.522 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001269540583 813408233 /nfs/dbraw/zinc/40/82/33/813408233.db2.gz GOZGBVLDQWFUGJ-CYBMUJFWSA-N 2 1 281.400 0.522 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168022386 814206475 /nfs/dbraw/zinc/20/64/75/814206475.db2.gz ODYPAAQHTFFVCD-KBPBESRZSA-N 2 1 263.385 0.732 20 30 CCEDMP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001280414686 814513943 /nfs/dbraw/zinc/51/39/43/814513943.db2.gz CSCFQLVPYILADX-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001280414686 814513949 /nfs/dbraw/zinc/51/39/49/814513949.db2.gz CSCFQLVPYILADX-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP COCC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001271978279 814659988 /nfs/dbraw/zinc/65/99/88/814659988.db2.gz YZOYDFJDIYTXJX-AWEZNQCLSA-N 2 1 281.400 0.121 20 30 CCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001271978279 814659995 /nfs/dbraw/zinc/65/99/95/814659995.db2.gz YZOYDFJDIYTXJX-AWEZNQCLSA-N 2 1 281.400 0.121 20 30 CCEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001271978279 814659999 /nfs/dbraw/zinc/65/99/99/814659999.db2.gz YZOYDFJDIYTXJX-AWEZNQCLSA-N 2 1 281.400 0.121 20 30 CCEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001271978279 814660003 /nfs/dbraw/zinc/66/00/03/814660003.db2.gz YZOYDFJDIYTXJX-AWEZNQCLSA-N 2 1 281.400 0.121 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105945015 816019914 /nfs/dbraw/zinc/01/99/14/816019914.db2.gz HWEKUSSFSPAERL-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105973983 816030979 /nfs/dbraw/zinc/03/09/79/816030979.db2.gz IUEIGMDJZASPQD-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105973983 816030985 /nfs/dbraw/zinc/03/09/85/816030985.db2.gz IUEIGMDJZASPQD-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C#CCN1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001088857431 816084817 /nfs/dbraw/zinc/08/48/17/816084817.db2.gz PBPZTNLUJCBKIK-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001088857431 816084824 /nfs/dbraw/zinc/08/48/24/816084824.db2.gz PBPZTNLUJCBKIK-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1C ZINC001088857431 816084828 /nfs/dbraw/zinc/08/48/28/816084828.db2.gz PBPZTNLUJCBKIK-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1C ZINC001088857431 816084833 /nfs/dbraw/zinc/08/48/33/816084833.db2.gz PBPZTNLUJCBKIK-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001088899699 816166514 /nfs/dbraw/zinc/16/65/14/816166514.db2.gz VHFATAXTHYOYFB-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077503770 816323774 /nfs/dbraw/zinc/32/37/74/816323774.db2.gz CHLNQFXJFXHSLD-ZIAGYGMSSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077503770 816323782 /nfs/dbraw/zinc/32/37/82/816323782.db2.gz CHLNQFXJFXHSLD-ZIAGYGMSSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257365 816493480 /nfs/dbraw/zinc/49/34/80/816493480.db2.gz XWXMVRKKKFOQLK-GJZGRUSLSA-N 2 1 295.427 0.769 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127685184 817447916 /nfs/dbraw/zinc/44/79/16/817447916.db2.gz GKYOFBFVEFFCJV-GHMZBOCLSA-N 2 1 259.781 0.785 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031921638 817464522 /nfs/dbraw/zinc/46/45/22/817464522.db2.gz XKBBLFULOOMUQA-OAHLLOKOSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976693 817514417 /nfs/dbraw/zinc/51/44/17/817514417.db2.gz QSCMTWJBMUZHRV-OCCSQVGLSA-N 2 1 265.401 0.808 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976691 817514675 /nfs/dbraw/zinc/51/46/75/817514675.db2.gz QSCMTWJBMUZHRV-GXTWGEPZSA-N 2 1 265.401 0.808 20 30 CCEDMP C=C(C)CN1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780586 817625850 /nfs/dbraw/zinc/62/58/50/817625850.db2.gz DJDCONJUZWXVBE-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780586 817625856 /nfs/dbraw/zinc/62/58/56/817625856.db2.gz DJDCONJUZWXVBE-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780586 817625864 /nfs/dbraw/zinc/62/58/64/817625864.db2.gz DJDCONJUZWXVBE-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780586 817625877 /nfs/dbraw/zinc/62/58/77/817625877.db2.gz DJDCONJUZWXVBE-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009350 817645567 /nfs/dbraw/zinc/64/55/67/817645567.db2.gz QICORAUYOSHCMW-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009350 817645571 /nfs/dbraw/zinc/64/55/71/817645571.db2.gz QICORAUYOSHCMW-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001032207655 817703852 /nfs/dbraw/zinc/70/38/52/817703852.db2.gz XBCCBDHPJCXPKN-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001032207655 817703855 /nfs/dbraw/zinc/70/38/55/817703855.db2.gz XBCCBDHPJCXPKN-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032975374 818400483 /nfs/dbraw/zinc/40/04/83/818400483.db2.gz IWFMZJHNDBVCEV-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032975374 818400487 /nfs/dbraw/zinc/40/04/87/818400487.db2.gz IWFMZJHNDBVCEV-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032975374 818400489 /nfs/dbraw/zinc/40/04/89/818400489.db2.gz IWFMZJHNDBVCEV-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032975374 818400492 /nfs/dbraw/zinc/40/04/92/818400492.db2.gz IWFMZJHNDBVCEV-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CCN1CC[C@]2(CCC[N@H+]2CC2CC[NH2+]CC2)C1=O ZINC001273031274 818489656 /nfs/dbraw/zinc/48/96/56/818489656.db2.gz TZYKYFXBSCJBCQ-MRXNPFEDSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC)C1 ZINC001033161625 818586576 /nfs/dbraw/zinc/58/65/76/818586576.db2.gz OGSRZZIPDRBVFR-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC)C1 ZINC001033161625 818586583 /nfs/dbraw/zinc/58/65/83/818586583.db2.gz OGSRZZIPDRBVFR-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC)C1 ZINC001033161625 818586592 /nfs/dbraw/zinc/58/65/92/818586592.db2.gz OGSRZZIPDRBVFR-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC)C1 ZINC001033161625 818586598 /nfs/dbraw/zinc/58/65/98/818586598.db2.gz OGSRZZIPDRBVFR-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033196707 818636558 /nfs/dbraw/zinc/63/65/58/818636558.db2.gz FHXFFGGIISCELV-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033196707 818636563 /nfs/dbraw/zinc/63/65/63/818636563.db2.gz FHXFFGGIISCELV-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033196707 818636566 /nfs/dbraw/zinc/63/65/66/818636566.db2.gz FHXFFGGIISCELV-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033196707 818636571 /nfs/dbraw/zinc/63/65/71/818636571.db2.gz FHXFFGGIISCELV-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128783131 819009533 /nfs/dbraw/zinc/00/95/33/819009533.db2.gz FTOBAJJVLXTXPI-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034526363 819228341 /nfs/dbraw/zinc/22/83/41/819228341.db2.gz XMMWGDNZAMLSFA-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034526363 819228344 /nfs/dbraw/zinc/22/83/44/819228344.db2.gz XMMWGDNZAMLSFA-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034526363 819228352 /nfs/dbraw/zinc/22/83/52/819228352.db2.gz XMMWGDNZAMLSFA-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526362 819228782 /nfs/dbraw/zinc/22/87/82/819228782.db2.gz XMMWGDNZAMLSFA-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034526362 819228789 /nfs/dbraw/zinc/22/87/89/819228789.db2.gz XMMWGDNZAMLSFA-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526362 819228795 /nfs/dbraw/zinc/22/87/95/819228795.db2.gz XMMWGDNZAMLSFA-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001273154560 819995647 /nfs/dbraw/zinc/99/56/47/819995647.db2.gz PZOIPDZHKHUACZ-AWEZNQCLSA-N 2 1 277.412 0.980 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080939779 820658244 /nfs/dbraw/zinc/65/82/44/820658244.db2.gz JMGHBHNXZVWQLP-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080939779 820658250 /nfs/dbraw/zinc/65/82/50/820658250.db2.gz JMGHBHNXZVWQLP-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080939779 820658255 /nfs/dbraw/zinc/65/82/55/820658255.db2.gz JMGHBHNXZVWQLP-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001080998340 820669757 /nfs/dbraw/zinc/66/97/57/820669757.db2.gz YWRASMIXZAIUKV-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001080998340 820669760 /nfs/dbraw/zinc/66/97/60/820669760.db2.gz YWRASMIXZAIUKV-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001080998340 820669764 /nfs/dbraw/zinc/66/97/64/820669764.db2.gz YWRASMIXZAIUKV-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001080998340 820669771 /nfs/dbraw/zinc/66/97/71/820669771.db2.gz YWRASMIXZAIUKV-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855847 820854565 /nfs/dbraw/zinc/85/45/65/820854565.db2.gz SPIIISRVNLEKBV-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855847 820854575 /nfs/dbraw/zinc/85/45/75/820854575.db2.gz SPIIISRVNLEKBV-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001081855847 820854582 /nfs/dbraw/zinc/85/45/82/820854582.db2.gz SPIIISRVNLEKBV-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001081855847 820854591 /nfs/dbraw/zinc/85/45/91/820854591.db2.gz SPIIISRVNLEKBV-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP CC#CCN1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082132729 820905379 /nfs/dbraw/zinc/90/53/79/820905379.db2.gz PEOYEUKIPZHGKZ-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CCN1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082132729 820905386 /nfs/dbraw/zinc/90/53/86/820905386.db2.gz PEOYEUKIPZHGKZ-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001082522131 820993783 /nfs/dbraw/zinc/99/37/83/820993783.db2.gz VEKGIVBYWLSQMQ-LXTVHRRPSA-N 2 1 277.412 0.786 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082920286 821060512 /nfs/dbraw/zinc/06/05/12/821060512.db2.gz XVIVMEAUJDMXPC-FRRDWIJNSA-N 2 1 251.374 0.561 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084661685 821342226 /nfs/dbraw/zinc/34/22/26/821342226.db2.gz DYOAMFTXVZDHQE-RBSFLKMASA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084661685 821342233 /nfs/dbraw/zinc/34/22/33/821342233.db2.gz DYOAMFTXVZDHQE-RBSFLKMASA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084661685 821342239 /nfs/dbraw/zinc/34/22/39/821342239.db2.gz DYOAMFTXVZDHQE-RBSFLKMASA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084661685 821342245 /nfs/dbraw/zinc/34/22/45/821342245.db2.gz DYOAMFTXVZDHQE-RBSFLKMASA-N 2 1 275.396 0.494 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085242555 821636676 /nfs/dbraw/zinc/63/66/76/821636676.db2.gz WVAZVAVFHSPXOO-KBUPBQIOSA-N 2 1 295.427 0.909 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085242555 821636680 /nfs/dbraw/zinc/63/66/80/821636680.db2.gz WVAZVAVFHSPXOO-KBUPBQIOSA-N 2 1 295.427 0.909 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974048 821677680 /nfs/dbraw/zinc/67/76/80/821677680.db2.gz MNRXYAQQMPPOGE-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085982490 822053243 /nfs/dbraw/zinc/05/32/43/822053243.db2.gz LYZUZEDNACCZOJ-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001085982490 822053256 /nfs/dbraw/zinc/05/32/56/822053256.db2.gz LYZUZEDNACCZOJ-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085982490 822053264 /nfs/dbraw/zinc/05/32/64/822053264.db2.gz LYZUZEDNACCZOJ-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085982490 822053273 /nfs/dbraw/zinc/05/32/73/822053273.db2.gz LYZUZEDNACCZOJ-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001086371684 822229645 /nfs/dbraw/zinc/22/96/45/822229645.db2.gz SNUFQVULSGAKHN-KBUPBQIOSA-N 2 1 293.411 0.520 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001086478780 822274088 /nfs/dbraw/zinc/27/40/88/822274088.db2.gz ZMGQXNLJQYDZTP-XUXIUFHCSA-N 2 1 263.385 0.302 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130188810 837717763 /nfs/dbraw/zinc/71/77/63/837717763.db2.gz KILMJQUXIPJOSB-KBPBESRZSA-N 2 1 263.385 0.732 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653084 836711657 /nfs/dbraw/zinc/71/16/57/836711657.db2.gz MYWKSFWOXPHAGH-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673996 836714598 /nfs/dbraw/zinc/71/45/98/836714598.db2.gz WIVBQSXQOUVJTB-ILXRZTDVSA-N 2 1 293.411 0.309 20 30 CCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673996 836714606 /nfs/dbraw/zinc/71/46/06/836714606.db2.gz WIVBQSXQOUVJTB-ILXRZTDVSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090436383 836780238 /nfs/dbraw/zinc/78/02/38/836780238.db2.gz QDDDSIPDDJZVEI-HUUCEWRRSA-N 2 1 298.346 0.133 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086556555 836900092 /nfs/dbraw/zinc/90/00/92/836900092.db2.gz BCTXXSAJMSSUFW-IHRRRGAJSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086556555 836900099 /nfs/dbraw/zinc/90/00/99/836900099.db2.gz BCTXXSAJMSSUFW-IHRRRGAJSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113538264 837151834 /nfs/dbraw/zinc/15/18/34/837151834.db2.gz GARXHZGIJIZAOZ-HNNXBMFYSA-N 2 1 295.427 0.675 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113538264 837151836 /nfs/dbraw/zinc/15/18/36/837151836.db2.gz GARXHZGIJIZAOZ-HNNXBMFYSA-N 2 1 295.427 0.675 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086699801 838554325 /nfs/dbraw/zinc/55/43/25/838554325.db2.gz HMSVPXCNHIHBIW-LXTVHRRPSA-N 2 1 277.412 0.834 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133862731 838753553 /nfs/dbraw/zinc/75/35/53/838753553.db2.gz FRVHYEQVBZUOHV-OLZOCXBDSA-N 2 1 269.389 0.093 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896021 838769507 /nfs/dbraw/zinc/76/95/07/838769507.db2.gz ASQVOYPRNKFAOH-UHFFFAOYSA-N 2 1 283.416 0.627 20 30 CCEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100212180 839256461 /nfs/dbraw/zinc/25/64/61/839256461.db2.gz RWZSSCHUPSVLTO-NRXISQOPSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100212180 839256474 /nfs/dbraw/zinc/25/64/74/839256474.db2.gz RWZSSCHUPSVLTO-NRXISQOPSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997571 839652539 /nfs/dbraw/zinc/65/25/39/839652539.db2.gz SFWLMGHAXSZGKO-UHFFFAOYSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001091035631 839996038 /nfs/dbraw/zinc/99/60/38/839996038.db2.gz CRRYQMXBRGKJGV-BLYZHGLHSA-N 2 1 265.401 0.997 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001150334642 842171003 /nfs/dbraw/zinc/17/10/03/842171003.db2.gz YWAASLMVIDVSNZ-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150334642 842171009 /nfs/dbraw/zinc/17/10/09/842171009.db2.gz YWAASLMVIDVSNZ-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150334642 842171016 /nfs/dbraw/zinc/17/10/16/842171016.db2.gz YWAASLMVIDVSNZ-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001179731243 843040291 /nfs/dbraw/zinc/04/02/91/843040291.db2.gz RQYDHQKAJBQWMO-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC)C1 ZINC001183361363 844007052 /nfs/dbraw/zinc/00/70/52/844007052.db2.gz RFEKVNJWIGYCEG-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC)C1 ZINC001183361363 844007057 /nfs/dbraw/zinc/00/70/57/844007057.db2.gz RFEKVNJWIGYCEG-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151737790 844995356 /nfs/dbraw/zinc/99/53/56/844995356.db2.gz FJNSZVSGRBIKCY-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151737790 844995360 /nfs/dbraw/zinc/99/53/60/844995360.db2.gz FJNSZVSGRBIKCY-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979170 845025539 /nfs/dbraw/zinc/02/55/39/845025539.db2.gz JVIKEHNCHOLPLA-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001273591331 845307381 /nfs/dbraw/zinc/30/73/81/845307381.db2.gz OFPXIQDOIDWOBV-ZDUSSCGKSA-N 2 1 251.374 0.352 20 30 CCEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273591331 845307388 /nfs/dbraw/zinc/30/73/88/845307388.db2.gz OFPXIQDOIDWOBV-ZDUSSCGKSA-N 2 1 251.374 0.352 20 30 CCEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273591331 845307393 /nfs/dbraw/zinc/30/73/93/845307393.db2.gz OFPXIQDOIDWOBV-ZDUSSCGKSA-N 2 1 251.374 0.352 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190666925 845447659 /nfs/dbraw/zinc/44/76/59/845447659.db2.gz PTWRLMBEIZIJIQ-HUUCEWRRSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192141497 845798370 /nfs/dbraw/zinc/79/83/70/845798370.db2.gz CKHRONPBCODYBY-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487917 846091912 /nfs/dbraw/zinc/09/19/12/846091912.db2.gz HMPTWKUHSYJADV-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193488199 846092818 /nfs/dbraw/zinc/09/28/18/846092818.db2.gz MMKKRYZCTJFVHU-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2cncn2C)C1 ZINC001193797363 846156727 /nfs/dbraw/zinc/15/67/27/846156727.db2.gz VLPOQCUPUPQGTG-OAHLLOKOSA-N 2 1 288.395 0.909 20 30 CCEDMP CC#CCN(C)[C@@H]1CCN(C(=O)CCc2cncn2C)C1 ZINC001193797363 846156730 /nfs/dbraw/zinc/15/67/30/846156730.db2.gz VLPOQCUPUPQGTG-OAHLLOKOSA-N 2 1 288.395 0.909 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039247 846195776 /nfs/dbraw/zinc/19/57/76/846195776.db2.gz MBBYMWXDZAXPJQ-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194009446 846196452 /nfs/dbraw/zinc/19/64/52/846196452.db2.gz DFEGNWSITHDBQT-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194009446 846196457 /nfs/dbraw/zinc/19/64/57/846196457.db2.gz DFEGNWSITHDBQT-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194009446 846196462 /nfs/dbraw/zinc/19/64/62/846196462.db2.gz DFEGNWSITHDBQT-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197049885 846833551 /nfs/dbraw/zinc/83/35/51/846833551.db2.gz YTPMCODZANRCFU-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197049885 846833562 /nfs/dbraw/zinc/83/35/62/846833562.db2.gz YTPMCODZANRCFU-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197536504 846928680 /nfs/dbraw/zinc/92/86/80/846928680.db2.gz WACVVEVJGBMHPJ-RRFJBIMHSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197536504 846928689 /nfs/dbraw/zinc/92/86/89/846928689.db2.gz WACVVEVJGBMHPJ-RRFJBIMHSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197536504 846928696 /nfs/dbraw/zinc/92/86/96/846928696.db2.gz WACVVEVJGBMHPJ-RRFJBIMHSA-N 2 1 297.443 0.844 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CCc2cnc[nH]2)CCCO1 ZINC001200648276 847678652 /nfs/dbraw/zinc/67/86/52/847678652.db2.gz JWXUEIAVNFNQTN-AWEZNQCLSA-N 2 1 290.367 0.183 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201405084 847775437 /nfs/dbraw/zinc/77/54/37/847775437.db2.gz ZZFLBGHQYDCFFU-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001252473989 847979742 /nfs/dbraw/zinc/97/97/42/847979742.db2.gz UKVPGAXBNUPNGI-ZNMIVQPWSA-N 2 1 268.401 0.824 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252473989 847979747 /nfs/dbraw/zinc/97/97/47/847979747.db2.gz UKVPGAXBNUPNGI-ZNMIVQPWSA-N 2 1 268.401 0.824 20 30 CCEDMP C=CCOC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252473989 847979753 /nfs/dbraw/zinc/97/97/53/847979753.db2.gz UKVPGAXBNUPNGI-ZNMIVQPWSA-N 2 1 268.401 0.824 20 30 CCEDMP C=C[C@](C)(O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252558570 848004801 /nfs/dbraw/zinc/00/48/01/848004801.db2.gz XUPPLHRHLASKJS-OCCSQVGLSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C[C@](C)(O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252558570 848004807 /nfs/dbraw/zinc/00/48/07/848004807.db2.gz XUPPLHRHLASKJS-OCCSQVGLSA-N 2 1 269.389 0.066 20 30 CCEDMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](CCCC#N)C2)C1=O ZINC001274040528 848314812 /nfs/dbraw/zinc/31/48/12/848314812.db2.gz UFXWOBYLISLMHM-OAHLLOKOSA-N 2 1 278.400 0.776 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001274280965 848438471 /nfs/dbraw/zinc/43/84/71/848438471.db2.gz QFGCJVGPEJDXTG-LSDHHAIUSA-N 2 1 295.427 0.415 20 30 CCEDMP C=C(C)C[NH2+]C/C=C\CNC(=O)CC[NH+]1CCOCC1 ZINC001274437980 848476710 /nfs/dbraw/zinc/47/67/10/848476710.db2.gz ALQVQEGUYZHIHI-ARJAWSKDSA-N 2 1 281.400 0.547 20 30 CCEDMP C=CC[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001274835619 848575975 /nfs/dbraw/zinc/57/59/75/848575975.db2.gz XEFGXIZWCKSXPQ-NSHDSACASA-N 2 1 250.346 0.862 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001274964245 848601800 /nfs/dbraw/zinc/60/18/00/848601800.db2.gz FLFXBVUHXIVFDT-GASCZTMLSA-N 2 1 267.417 0.899 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001274964324 848601812 /nfs/dbraw/zinc/60/18/12/848601812.db2.gz IRFJWNQKJARNBL-CABCVRRESA-N 2 1 267.417 0.899 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC#CCOC ZINC001275689533 848792658 /nfs/dbraw/zinc/79/26/58/848792658.db2.gz HXECUUZESBACNN-CQSZACIVSA-N 2 1 283.416 0.415 20 30 CCEDMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)CC#CCOC ZINC001275689533 848792663 /nfs/dbraw/zinc/79/26/63/848792663.db2.gz HXECUUZESBACNN-CQSZACIVSA-N 2 1 283.416 0.415 20 30 CCEDMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)CC#CCOC ZINC001275689533 848792666 /nfs/dbraw/zinc/79/26/66/848792666.db2.gz HXECUUZESBACNN-CQSZACIVSA-N 2 1 283.416 0.415 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110976468 849036342 /nfs/dbraw/zinc/03/63/42/849036342.db2.gz MULZIBHDGDVGFQ-UPJWGTAASA-N 2 1 251.374 0.846 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750939 849385720 /nfs/dbraw/zinc/38/57/20/849385720.db2.gz RBYJECUOJHOXIB-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778666 849391801 /nfs/dbraw/zinc/39/18/01/849391801.db2.gz PAHWDUPLGSGISF-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001276333799 849426203 /nfs/dbraw/zinc/42/62/03/849426203.db2.gz WZCPZBIMMXXDKC-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC001041347829 850434003 /nfs/dbraw/zinc/43/40/03/850434003.db2.gz ZXAGVWYDUUHXBH-INIZCTEOSA-N 2 1 286.379 0.900 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001042758630 850754497 /nfs/dbraw/zinc/75/44/97/850754497.db2.gz NONMWCDQOHFMNP-UKRRQHHQSA-N 2 1 293.411 0.568 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042758630 850754501 /nfs/dbraw/zinc/75/45/01/850754501.db2.gz NONMWCDQOHFMNP-UKRRQHHQSA-N 2 1 293.411 0.568 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC ZINC001045073630 851209962 /nfs/dbraw/zinc/20/99/62/851209962.db2.gz LSEBJSMYDMDRPU-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC ZINC001045073630 851209975 /nfs/dbraw/zinc/20/99/75/851209975.db2.gz LSEBJSMYDMDRPU-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001045644486 851291618 /nfs/dbraw/zinc/29/16/18/851291618.db2.gz JZMMZYNZLUXYOW-CQSZACIVSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001045644486 851291626 /nfs/dbraw/zinc/29/16/26/851291626.db2.gz JZMMZYNZLUXYOW-CQSZACIVSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046331224 851469676 /nfs/dbraw/zinc/46/96/76/851469676.db2.gz HFSTVRGMFFFKLM-NFAWXSAZSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046331224 851469686 /nfs/dbraw/zinc/46/96/86/851469686.db2.gz HFSTVRGMFFFKLM-NFAWXSAZSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046331224 851469696 /nfs/dbraw/zinc/46/96/96/851469696.db2.gz HFSTVRGMFFFKLM-NFAWXSAZSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001046423671 851497654 /nfs/dbraw/zinc/49/76/54/851497654.db2.gz OMWMBFZQXZFLOC-CJNGLKHVSA-N 2 1 286.379 0.659 20 30 CCEDMP C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001046423671 851497659 /nfs/dbraw/zinc/49/76/59/851497659.db2.gz OMWMBFZQXZFLOC-CJNGLKHVSA-N 2 1 286.379 0.659 20 30 CCEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001046570326 851551058 /nfs/dbraw/zinc/55/10/58/851551058.db2.gz ZCPLWXOMGJWGFF-DZKIICNBSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046570326 851551070 /nfs/dbraw/zinc/55/10/70/851551070.db2.gz ZCPLWXOMGJWGFF-DZKIICNBSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046570326 851551084 /nfs/dbraw/zinc/55/10/84/851551084.db2.gz ZCPLWXOMGJWGFF-DZKIICNBSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046992936 851654471 /nfs/dbraw/zinc/65/44/71/851654471.db2.gz HOFPUZKEBBUYDD-CHWSQXEVSA-N 2 1 299.365 0.645 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046992936 851654473 /nfs/dbraw/zinc/65/44/73/851654473.db2.gz HOFPUZKEBBUYDD-CHWSQXEVSA-N 2 1 299.365 0.645 20 30 CCEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046992936 851654476 /nfs/dbraw/zinc/65/44/76/851654476.db2.gz HOFPUZKEBBUYDD-CHWSQXEVSA-N 2 1 299.365 0.645 20 30 CCEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046992936 851654477 /nfs/dbraw/zinc/65/44/77/851654477.db2.gz HOFPUZKEBBUYDD-CHWSQXEVSA-N 2 1 299.365 0.645 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001048897016 852102806 /nfs/dbraw/zinc/10/28/06/852102806.db2.gz NVUFMEBXLGFPIZ-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048897016 852102814 /nfs/dbraw/zinc/10/28/14/852102814.db2.gz NVUFMEBXLGFPIZ-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048897016 852102817 /nfs/dbraw/zinc/10/28/17/852102817.db2.gz NVUFMEBXLGFPIZ-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001048919161 852108254 /nfs/dbraw/zinc/10/82/54/852108254.db2.gz RUFAASWYTDSGRT-GASCZTMLSA-N 2 1 287.407 0.638 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049392188 852256724 /nfs/dbraw/zinc/25/67/24/852256724.db2.gz VVDONHDEEFFCGR-RRFJBIMHSA-N 2 1 293.411 0.568 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001096606886 852401605 /nfs/dbraw/zinc/40/16/05/852401605.db2.gz RMQYXKHVLRZZBN-IKGGRYGDSA-N 2 1 299.418 0.686 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052872201 852665472 /nfs/dbraw/zinc/66/54/72/852665472.db2.gz YCXFYGSEYRWFFH-CQSZACIVSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050201133 853336128 /nfs/dbraw/zinc/33/61/28/853336128.db2.gz ANLPBLAOEZXVPO-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050201133 853336135 /nfs/dbraw/zinc/33/61/35/853336135.db2.gz ANLPBLAOEZXVPO-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050201133 853336140 /nfs/dbraw/zinc/33/61/40/853336140.db2.gz ANLPBLAOEZXVPO-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052489352 853757099 /nfs/dbraw/zinc/75/70/99/853757099.db2.gz ONBDMKSGSJTKMZ-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052489352 853757105 /nfs/dbraw/zinc/75/71/05/853757105.db2.gz ONBDMKSGSJTKMZ-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489352 853757109 /nfs/dbraw/zinc/75/71/09/853757109.db2.gz ONBDMKSGSJTKMZ-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489352 853757117 /nfs/dbraw/zinc/75/71/17/853757117.db2.gz ONBDMKSGSJTKMZ-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072551088 854414728 /nfs/dbraw/zinc/41/47/28/854414728.db2.gz ALGGRTHZVVLAJC-CYBMUJFWSA-N 2 1 261.369 0.248 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072551088 854414729 /nfs/dbraw/zinc/41/47/29/854414729.db2.gz ALGGRTHZVVLAJC-CYBMUJFWSA-N 2 1 261.369 0.248 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072551088 854414733 /nfs/dbraw/zinc/41/47/33/854414733.db2.gz ALGGRTHZVVLAJC-CYBMUJFWSA-N 2 1 261.369 0.248 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073555078 854591377 /nfs/dbraw/zinc/59/13/77/854591377.db2.gz VALGAJJACDPYCQ-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073555078 854591387 /nfs/dbraw/zinc/59/13/87/854591387.db2.gz VALGAJJACDPYCQ-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001073555078 854591396 /nfs/dbraw/zinc/59/13/96/854591396.db2.gz VALGAJJACDPYCQ-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099898990 855023930 /nfs/dbraw/zinc/02/39/30/855023930.db2.gz LCWSDQNPYDCMDP-KGLIPLIRSA-N 2 1 295.427 0.291 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898990 855023935 /nfs/dbraw/zinc/02/39/35/855023935.db2.gz LCWSDQNPYDCMDP-KGLIPLIRSA-N 2 1 295.427 0.291 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898990 855023939 /nfs/dbraw/zinc/02/39/39/855023939.db2.gz LCWSDQNPYDCMDP-KGLIPLIRSA-N 2 1 295.427 0.291 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986079 855062161 /nfs/dbraw/zinc/06/21/61/855062161.db2.gz HUFGHTGBSZRANY-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100009539 855069764 /nfs/dbraw/zinc/06/97/64/855069764.db2.gz ZXADPQHESUCAFF-UONOGXRCSA-N 2 1 297.443 0.702 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100076133 855094745 /nfs/dbraw/zinc/09/47/45/855094745.db2.gz GYXIDYUHBAUELD-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001100746368 855217670 /nfs/dbraw/zinc/21/76/70/855217670.db2.gz NCUNVYIUZSCEGG-PNESKVBLSA-N 2 1 274.368 0.706 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125783 855643694 /nfs/dbraw/zinc/64/36/94/855643694.db2.gz BXGINKLULCETRR-FOLVSLTJSA-N 2 1 295.427 0.577 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001119663903 856825287 /nfs/dbraw/zinc/82/52/87/856825287.db2.gz ZACAPHQLBVYSGG-UHFFFAOYSA-N 2 1 273.380 0.800 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001119663903 856825293 /nfs/dbraw/zinc/82/52/93/856825293.db2.gz ZACAPHQLBVYSGG-UHFFFAOYSA-N 2 1 273.380 0.800 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001325123487 913230651 /nfs/dbraw/zinc/23/06/51/913230651.db2.gz OZXGIBRHMQFVGG-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001325595352 913485315 /nfs/dbraw/zinc/48/53/15/913485315.db2.gz IMHUMWZNAPCIAF-DZGCQCFKSA-N 2 1 288.395 0.899 20 30 CCEDMP C=C(C)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266327122 891446905 /nfs/dbraw/zinc/44/69/05/891446905.db2.gz YUDYNNHULMFMOD-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(C)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266327122 891446915 /nfs/dbraw/zinc/44/69/15/891446915.db2.gz YUDYNNHULMFMOD-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001325866331 913618940 /nfs/dbraw/zinc/61/89/40/913618940.db2.gz VPNICYIFQCFSDU-HOCLYGCPSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001325866331 913618949 /nfs/dbraw/zinc/61/89/49/913618949.db2.gz VPNICYIFQCFSDU-HOCLYGCPSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001325866331 913618960 /nfs/dbraw/zinc/61/89/60/913618960.db2.gz VPNICYIFQCFSDU-HOCLYGCPSA-N 2 1 295.427 0.457 20 30 CCEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481507437 892757360 /nfs/dbraw/zinc/75/73/60/892757360.db2.gz YICPHUKFHZRYJT-LSDHHAIUSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481507437 892757352 /nfs/dbraw/zinc/75/73/52/892757352.db2.gz YICPHUKFHZRYJT-LSDHHAIUSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001481507437 892757356 /nfs/dbraw/zinc/75/73/56/892757356.db2.gz YICPHUKFHZRYJT-LSDHHAIUSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001500358559 893784956 /nfs/dbraw/zinc/78/49/56/893784956.db2.gz UKWGZVSTYBDMNA-GOEBONIOSA-N 2 1 277.412 0.932 20 30 CCEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001482518353 894176306 /nfs/dbraw/zinc/17/63/06/894176306.db2.gz OWPGNAUYWVTLCO-HUUCEWRRSA-N 2 1 295.427 0.461 20 30 CCEDMP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001482901338 894671579 /nfs/dbraw/zinc/67/15/79/894671579.db2.gz PSOLTKPSSSMGQV-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001482901338 894671590 /nfs/dbraw/zinc/67/15/90/894671590.db2.gz PSOLTKPSSSMGQV-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482967265 894734953 /nfs/dbraw/zinc/73/49/53/894734953.db2.gz OZQZSEUEKJBJEG-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001484278684 896312860 /nfs/dbraw/zinc/31/28/60/896312860.db2.gz PBLMKSWIWUEVPC-AWEZNQCLSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001484278684 896312876 /nfs/dbraw/zinc/31/28/76/896312876.db2.gz PBLMKSWIWUEVPC-AWEZNQCLSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001484440721 896410813 /nfs/dbraw/zinc/41/08/13/896410813.db2.gz PNNRQFGJTKARNK-ZBFHGGJFSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484440721 896410831 /nfs/dbraw/zinc/41/08/31/896410831.db2.gz PNNRQFGJTKARNK-ZBFHGGJFSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001484440721 896410839 /nfs/dbraw/zinc/41/08/39/896410839.db2.gz PNNRQFGJTKARNK-ZBFHGGJFSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001484440721 896410848 /nfs/dbraw/zinc/41/08/48/896410848.db2.gz PNNRQFGJTKARNK-ZBFHGGJFSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484550190 896466593 /nfs/dbraw/zinc/46/65/93/896466593.db2.gz QYDFYPPTNLSETQ-KGLIPLIRSA-N 2 1 263.385 0.400 20 30 CCEDMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001484551591 896468306 /nfs/dbraw/zinc/46/83/06/896468306.db2.gz MGSMHTQMQQKYAH-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001484551591 896468312 /nfs/dbraw/zinc/46/83/12/896468312.db2.gz MGSMHTQMQQKYAH-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001484628760 896511368 /nfs/dbraw/zinc/51/13/68/896511368.db2.gz RZIWIBQTXIACPI-LBPRGKRZSA-N 2 1 267.373 0.132 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001484628760 896511371 /nfs/dbraw/zinc/51/13/71/896511371.db2.gz RZIWIBQTXIACPI-LBPRGKRZSA-N 2 1 267.373 0.132 20 30 CCEDMP C#CC[NH2+]C1(C)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001484926187 896667694 /nfs/dbraw/zinc/66/76/94/896667694.db2.gz KUKRGBNCZVLRMM-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001484954077 896684058 /nfs/dbraw/zinc/68/40/58/896684058.db2.gz DGNVMEMCHHAWHQ-UHFFFAOYSA-N 2 1 292.383 0.471 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCc2cncn2C)C[C@@H]1C ZINC001484986162 896696670 /nfs/dbraw/zinc/69/66/70/896696670.db2.gz PXZNOTOEMFHRSX-UONOGXRCSA-N 2 1 288.395 0.955 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001485505901 897096803 /nfs/dbraw/zinc/09/68/03/897096803.db2.gz IYGAEOJNDMMTNF-OCCSQVGLSA-N 2 1 283.391 0.736 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC#CC ZINC001485727440 897203896 /nfs/dbraw/zinc/20/38/96/897203896.db2.gz WFGMVEPEFCGKTE-CVEARBPZSA-N 2 1 289.423 0.982 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC#CC ZINC001485727440 897203907 /nfs/dbraw/zinc/20/39/07/897203907.db2.gz WFGMVEPEFCGKTE-CVEARBPZSA-N 2 1 289.423 0.982 20 30 CCEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485805453 897258522 /nfs/dbraw/zinc/25/85/22/897258522.db2.gz XQIZISUJIZDKEL-HUUCEWRRSA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485805453 897258539 /nfs/dbraw/zinc/25/85/39/897258539.db2.gz XQIZISUJIZDKEL-HUUCEWRRSA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[NH+](C)CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001490251111 900579229 /nfs/dbraw/zinc/57/92/29/900579229.db2.gz WSOKZCIGMYFTLB-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[N@@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001490251111 900579238 /nfs/dbraw/zinc/57/92/38/900579238.db2.gz WSOKZCIGMYFTLB-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001490251111 900579258 /nfs/dbraw/zinc/57/92/58/900579258.db2.gz WSOKZCIGMYFTLB-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001490459517 900644157 /nfs/dbraw/zinc/64/41/57/900644157.db2.gz RHHPLTSMZVQKKM-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001490607569 900678371 /nfs/dbraw/zinc/67/83/71/900678371.db2.gz YQUKAWLVECLGFE-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001490741598 900713523 /nfs/dbraw/zinc/71/35/23/900713523.db2.gz WKNASSZYNHWKJW-KGLIPLIRSA-N 2 1 265.401 0.999 20 30 CCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001210521831 903826177 /nfs/dbraw/zinc/82/61/77/903826177.db2.gz VLNAOBUBHQYDBL-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210521831 903826184 /nfs/dbraw/zinc/82/61/84/903826184.db2.gz VLNAOBUBHQYDBL-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210521831 903826194 /nfs/dbraw/zinc/82/61/94/903826194.db2.gz VLNAOBUBHQYDBL-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001282412974 904471802 /nfs/dbraw/zinc/47/18/02/904471802.db2.gz OTHAOCHKUVQDNX-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001282412974 904471812 /nfs/dbraw/zinc/47/18/12/904471812.db2.gz OTHAOCHKUVQDNX-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001282412974 904471826 /nfs/dbraw/zinc/47/18/26/904471826.db2.gz OTHAOCHKUVQDNX-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001282861662 904554930 /nfs/dbraw/zinc/55/49/30/904554930.db2.gz PXCPCBHLVIXTMB-JONQDZQNSA-N 2 1 291.439 0.890 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001284016189 905118131 /nfs/dbraw/zinc/11/81/31/905118131.db2.gz XHJVDMRXSVZRJI-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316744165 908566175 /nfs/dbraw/zinc/56/61/75/908566175.db2.gz MFDNIWKXRKYDDZ-LSDHHAIUSA-N 2 1 295.427 0.552 20 30 CCEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316744165 908566190 /nfs/dbraw/zinc/56/61/90/908566190.db2.gz MFDNIWKXRKYDDZ-LSDHHAIUSA-N 2 1 295.427 0.552 20 30 CCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316744165 908566202 /nfs/dbraw/zinc/56/62/02/908566202.db2.gz MFDNIWKXRKYDDZ-LSDHHAIUSA-N 2 1 295.427 0.552 20 30 CCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001316948055 908698458 /nfs/dbraw/zinc/69/84/58/908698458.db2.gz PMLAZORDTSYOTQ-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001316948055 908698468 /nfs/dbraw/zinc/69/84/68/908698468.db2.gz PMLAZORDTSYOTQ-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001316987558 908900811 /nfs/dbraw/zinc/90/08/11/908900811.db2.gz TZEHBTVNRMHMIK-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001316994818 908909025 /nfs/dbraw/zinc/90/90/25/908909025.db2.gz LPZPXIYAEUFHCE-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001317011641 908914930 /nfs/dbraw/zinc/91/49/30/908914930.db2.gz OUZJRITZGGJACA-UONOGXRCSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317531175 909298039 /nfs/dbraw/zinc/29/80/39/909298039.db2.gz RZVHEMPFWFPPPB-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001317545925 909310433 /nfs/dbraw/zinc/31/04/33/909310433.db2.gz LOBLHWMBPGSGRG-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[NH+](CCC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317545925 909310451 /nfs/dbraw/zinc/31/04/51/909310451.db2.gz LOBLHWMBPGSGRG-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[NH+](CCC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317545925 909310466 /nfs/dbraw/zinc/31/04/66/909310466.db2.gz LOBLHWMBPGSGRG-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317624917 909418654 /nfs/dbraw/zinc/41/86/54/909418654.db2.gz YOYQPGKKQUUROE-AWEZNQCLSA-N 2 1 288.395 0.825 20 30 CCEDMP C=CCOCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317661576 909456738 /nfs/dbraw/zinc/45/67/38/909456738.db2.gz OKFZFIQNAPRNMV-ZDUSSCGKSA-N 2 1 269.389 0.189 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001318127796 909635087 /nfs/dbraw/zinc/63/50/87/909635087.db2.gz BSSGQKIIHPGQEN-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001318127796 909635095 /nfs/dbraw/zinc/63/50/95/909635095.db2.gz BSSGQKIIHPGQEN-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001318603037 909830676 /nfs/dbraw/zinc/83/06/76/909830676.db2.gz NIJUSQWTVDATNU-ZIAGYGMSSA-N 2 1 281.400 0.215 20 30 CCEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001318603037 909830684 /nfs/dbraw/zinc/83/06/84/909830684.db2.gz NIJUSQWTVDATNU-ZIAGYGMSSA-N 2 1 281.400 0.215 20 30 CCEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001318603036 909830757 /nfs/dbraw/zinc/83/07/57/909830757.db2.gz NIJUSQWTVDATNU-UONOGXRCSA-N 2 1 281.400 0.215 20 30 CCEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001318603036 909830765 /nfs/dbraw/zinc/83/07/65/909830765.db2.gz NIJUSQWTVDATNU-UONOGXRCSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[NH2+]C[C@](C)(NC(=O)CC[N@H+](C)CC)C1CC1 ZINC001318728371 909873444 /nfs/dbraw/zinc/87/34/44/909873444.db2.gz NGRBZMMSCQPGAG-HNNXBMFYSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001319915832 910351092 /nfs/dbraw/zinc/35/10/92/910351092.db2.gz LVGJIADIOXIDJM-MGPQQGTHSA-N 2 1 265.401 0.690 20 30 CCEDMP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001320421580 910670994 /nfs/dbraw/zinc/67/09/94/910670994.db2.gz LUOBPVKEUMYCJY-RBSFLKMASA-N 2 1 295.427 0.461 20 30 CCEDMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001320642939 910774994 /nfs/dbraw/zinc/77/49/94/910774994.db2.gz CIOUTINYYVPGCK-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001320642939 910775006 /nfs/dbraw/zinc/77/50/06/910775006.db2.gz CIOUTINYYVPGCK-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001321563236 911372866 /nfs/dbraw/zinc/37/28/66/911372866.db2.gz JBIVCSSWRZQDIH-ZIAGYGMSSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001329398248 915878530 /nfs/dbraw/zinc/87/85/30/915878530.db2.gz SKGSHLZCKFAMOW-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001329398248 915878543 /nfs/dbraw/zinc/87/85/43/915878543.db2.gz SKGSHLZCKFAMOW-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001329398248 915878548 /nfs/dbraw/zinc/87/85/48/915878548.db2.gz SKGSHLZCKFAMOW-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001329514107 915978872 /nfs/dbraw/zinc/97/88/72/915978872.db2.gz AIGHMZGZDXXGJR-AWEZNQCLSA-N 2 1 295.427 0.415 20 30 CCEDMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001329876642 916247877 /nfs/dbraw/zinc/24/78/77/916247877.db2.gz RCIFGDHPEGRZDZ-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001329876642 916247897 /nfs/dbraw/zinc/24/78/97/916247897.db2.gz RCIFGDHPEGRZDZ-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001330037861 916372764 /nfs/dbraw/zinc/37/27/64/916372764.db2.gz GJWCWJOULROLBX-GFCCVEGCSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001331530579 917400640 /nfs/dbraw/zinc/40/06/40/917400640.db2.gz BMVYNYVCDUPRAP-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001331756454 917576140 /nfs/dbraw/zinc/57/61/40/917576140.db2.gz GRMOTHSKRUBKMB-CYBMUJFWSA-N 2 1 280.372 0.224 20 30 CCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCC[NH+](C)C ZINC001332662410 918365751 /nfs/dbraw/zinc/36/57/51/918365751.db2.gz FHEJXKFOJOHLFD-AWEZNQCLSA-N 2 1 283.416 0.103 20 30 CCEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332676850 918378102 /nfs/dbraw/zinc/37/81/02/918378102.db2.gz FSPBSZSUMIFESC-CYBMUJFWSA-N 2 1 280.372 0.129 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332676850 918378118 /nfs/dbraw/zinc/37/81/18/918378118.db2.gz FSPBSZSUMIFESC-CYBMUJFWSA-N 2 1 280.372 0.129 20 30 CCEDMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001333049107 918623185 /nfs/dbraw/zinc/62/31/85/918623185.db2.gz MWNWMPZUVKJUJG-JXQTWKCFSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001333049107 918623191 /nfs/dbraw/zinc/62/31/91/918623191.db2.gz MWNWMPZUVKJUJG-JXQTWKCFSA-N 2 1 281.400 0.472 20 30 CCEDMP C#CC[NH2+]CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001340933024 922284020 /nfs/dbraw/zinc/28/40/20/922284020.db2.gz XPOHWDJTQFPVEX-QMMMGPOBSA-N 2 1 264.354 0.120 20 30 CCEDMP C#CCOCC[N@H+](C)[C@H](C)C(=O)N1CCN(CC)CC1 ZINC001341258981 922400424 /nfs/dbraw/zinc/40/04/24/922400424.db2.gz XPGLNYBEFHDMMH-CQSZACIVSA-N 2 1 281.400 0.121 20 30 CCEDMP C#CCOCCN(C)[C@H](C)C(=O)N1CCN(CC)CC1 ZINC001341258981 922400437 /nfs/dbraw/zinc/40/04/37/922400437.db2.gz XPGLNYBEFHDMMH-CQSZACIVSA-N 2 1 281.400 0.121 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC001341569238 922557460 /nfs/dbraw/zinc/55/74/60/922557460.db2.gz LJYKKXOLJBTYJE-AWEZNQCLSA-N 2 1 263.385 0.686 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001341731140 922649145 /nfs/dbraw/zinc/64/91/45/922649145.db2.gz BYKRASHERSKHDP-OLZOCXBDSA-N 2 1 268.405 0.032 20 30 CCEDMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)CCC[NH2+]1 ZINC001344877147 923717854 /nfs/dbraw/zinc/71/78/54/923717854.db2.gz OGZAUYLNHBUURY-OUCADQQQSA-N 2 1 251.374 0.894 20 30 CCEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000602614415 362714981 /nfs/dbraw/zinc/71/49/81/362714981.db2.gz YMFZUCBQIZNCNG-HIFRSBDPSA-N 2 1 281.400 0.742 20 30 CCEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000602614415 362714984 /nfs/dbraw/zinc/71/49/84/362714984.db2.gz YMFZUCBQIZNCNG-HIFRSBDPSA-N 2 1 281.400 0.742 20 30 CCEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NCC#N ZINC000603113097 362967662 /nfs/dbraw/zinc/96/76/62/362967662.db2.gz YRUALQMFKUGHGZ-UHFFFAOYSA-N 2 1 266.389 0.824 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000370017372 357351211 /nfs/dbraw/zinc/35/12/11/357351211.db2.gz JNWFQBHDDYNKML-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000370017372 357351215 /nfs/dbraw/zinc/35/12/15/357351215.db2.gz JNWFQBHDDYNKML-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@@H+](C)C1CC1 ZINC000594437111 360306251 /nfs/dbraw/zinc/30/62/51/360306251.db2.gz IAZBDNQIOYRNSC-YPMHNXCESA-N 2 1 266.389 0.997 20 30 CCEDMP CN(C)c1[nH+]cc(CNC(=O)[C@H]([NH3+])CCCCC#N)n1C ZINC000594437662 360305728 /nfs/dbraw/zinc/30/57/28/360305728.db2.gz KJVVMRSVLJMLTD-GFCCVEGCSA-N 2 1 292.387 0.514 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000594441077 360309884 /nfs/dbraw/zinc/30/98/84/360309884.db2.gz MJWGEAYXASWUJS-OCCSQVGLSA-N 2 1 278.400 0.998 20 30 CCEDMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000574756874 335044956 /nfs/dbraw/zinc/04/49/56/335044956.db2.gz GFJPILNLPGCHIL-UHFFFAOYSA-N 2 1 282.351 0.952 20 30 CCEDMP C#CC[N@@H+](C)CCCNc1cc(N2CCOCC2)ncn1 ZINC000292702340 388954609 /nfs/dbraw/zinc/95/46/09/388954609.db2.gz GEAOSKMTWVTADT-UHFFFAOYSA-N 2 1 289.383 0.680 20 30 CCEDMP C[C@H]1C[N@@H+](CC#CC[NH+]2C[C@@H](C)[C@H](CO)C2)C[C@@H]1CO ZINC000342133591 389197145 /nfs/dbraw/zinc/19/71/45/389197145.db2.gz RGIZQDGPRHVBPC-SYMSYNOKSA-N 2 1 280.412 0.110 20 30 CCEDMP CN(C)C(=[NH+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)N(C)C ZINC000360573285 389199927 /nfs/dbraw/zinc/19/99/27/389199927.db2.gz PZBLMYFIZKGIHH-NWDGAFQWSA-N 2 1 254.378 0.329 20 30 CCEDMP CC#CCNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367166953 389324904 /nfs/dbraw/zinc/32/49/04/389324904.db2.gz BNVLSHBDCRJHRV-ZDUSSCGKSA-N 2 1 278.400 0.477 20 30 CCEDMP C[NH+]=C(NCCn1cccc1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000261864607 389278255 /nfs/dbraw/zinc/27/82/55/389278255.db2.gz ZVFMNGJEKUAOOW-ZDUSSCGKSA-N 2 1 263.389 0.605 20 30 CCEDMP C[NH+]=C(NCCn1ccnc1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261965270 389278574 /nfs/dbraw/zinc/27/85/74/389278574.db2.gz LGODPCLSUZOJQD-OCCSQVGLSA-N 2 1 290.415 0.531 20 30 CCEDMP C=CCNC(=O)C[N@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344163028 389279074 /nfs/dbraw/zinc/27/90/74/389279074.db2.gz ZRBATRRWWKQYLA-UHFFFAOYSA-N 2 1 296.459 0.638 20 30 CCEDMP C=CCNC(=O)C[N@@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344163028 389279077 /nfs/dbraw/zinc/27/90/77/389279077.db2.gz ZRBATRRWWKQYLA-UHFFFAOYSA-N 2 1 296.459 0.638 20 30 CCEDMP C[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261980036 389279742 /nfs/dbraw/zinc/27/97/42/389279742.db2.gz OQUWSLYFWOEKGF-QMTHXVAHSA-N 2 1 290.415 0.866 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1snnc1C ZINC000262686144 389293635 /nfs/dbraw/zinc/29/36/35/389293635.db2.gz DOBJKMZPESYHNL-JTQLQIEISA-N 2 1 282.417 0.735 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccncc1 ZINC000267476529 389372236 /nfs/dbraw/zinc/37/22/36/389372236.db2.gz ZMOXPVPPSHRMRN-UHFFFAOYSA-N 2 1 291.399 0.251 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(C#N)CC2)CC1 ZINC000429672891 389764211 /nfs/dbraw/zinc/76/42/11/389764211.db2.gz FTASXVDHHLUHTI-UHFFFAOYSA-N 2 1 264.373 0.386 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+](CC)CC ZINC000491694615 390116151 /nfs/dbraw/zinc/11/61/51/390116151.db2.gz LNBMTFQVQJCKAX-UHFFFAOYSA-N 2 1 268.405 0.583 20 30 CCEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000563008483 390491996 /nfs/dbraw/zinc/49/19/96/390491996.db2.gz ZSXWXPGFTXWIGN-YUTCNCBUSA-N 2 1 254.374 0.622 20 30 CCEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000563008483 390492000 /nfs/dbraw/zinc/49/20/00/390492000.db2.gz ZSXWXPGFTXWIGN-YUTCNCBUSA-N 2 1 254.374 0.622 20 30 CCEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000530815676 390877251 /nfs/dbraw/zinc/87/72/51/390877251.db2.gz TUTCHOGTIXAONC-BETUJISGSA-N 2 1 278.400 0.963 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COC2CCOCC2)CC1 ZINC000578740728 390899597 /nfs/dbraw/zinc/89/95/97/390899597.db2.gz TXVNXAWTTUIETC-OAHLLOKOSA-N 2 1 298.427 0.783 20 30 CCEDMP Cn1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1C#N ZINC000190951453 130165816 /nfs/dbraw/zinc/16/58/16/130165816.db2.gz MMPKFCJXIUUNJF-UHFFFAOYSA-N 2 1 289.383 0.150 20 30 CCEDMP C[C@H](O)[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000661764199 414672523 /nfs/dbraw/zinc/67/25/23/414672523.db2.gz AXJVEUQISIJSLM-CAOSSQGBSA-N 2 1 280.412 0.680 20 30 CCEDMP C=CCc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])cc(OC)c1O ZINC000415065567 263259470 /nfs/dbraw/zinc/25/94/70/263259470.db2.gz GNJYVPNGTYQFGO-ZDUSSCGKSA-N 2 1 280.368 0.881 20 30 CCEDMP C=CCc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc(OC)c1O ZINC000415065567 263259471 /nfs/dbraw/zinc/25/94/71/263259471.db2.gz GNJYVPNGTYQFGO-ZDUSSCGKSA-N 2 1 280.368 0.881 20 30 CCEDMP C[C@@H]1C[NH+](C)CCN1CC#CCN1CC[N@H+](C)C[C@@H]1C ZINC000341883875 263362965 /nfs/dbraw/zinc/36/29/65/263362965.db2.gz PDEGPZJQKGBDHD-IYBDPMFKSA-N 2 1 278.444 0.262 20 30 CCEDMP C[C@@H]1C[N@@H+](C)CCN1CC#CCN1CC[NH+](C)C[C@@H]1C ZINC000341883875 263362969 /nfs/dbraw/zinc/36/29/69/263362969.db2.gz PDEGPZJQKGBDHD-IYBDPMFKSA-N 2 1 278.444 0.262 20 30 CCEDMP C[C@@H]1C[N@H+](C)CCN1CC#CCN1CC[NH+](C)C[C@@H]1C ZINC000341883875 263362970 /nfs/dbraw/zinc/36/29/70/263362970.db2.gz PDEGPZJQKGBDHD-IYBDPMFKSA-N 2 1 278.444 0.262 20 30 CCEDMP CC#CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369280161 267230943 /nfs/dbraw/zinc/23/09/43/267230943.db2.gz OTPMSWXETRIQDU-UHFFFAOYSA-N 2 1 252.358 0.169 20 30 CCEDMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])NCCc2cccs2)C1 ZINC000262262906 330002972 /nfs/dbraw/zinc/00/29/72/330002972.db2.gz FFOVWKVRFZRNOQ-ZDUSSCGKSA-N 2 1 282.413 0.262 20 30 CCEDMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])NC2CCCCC2)C1 ZINC000262276081 330003723 /nfs/dbraw/zinc/00/37/23/330003723.db2.gz HWFRWYNNRLNFRC-ZDUSSCGKSA-N 2 1 254.378 0.290 20 30 CCEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCC(C(=O)OC)CC1 ZINC000262587164 330022235 /nfs/dbraw/zinc/02/22/35/330022235.db2.gz SWNMTKQOVBDQHR-GFCCVEGCSA-N 2 1 296.415 0.399 20 30 CCEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423014742 330165407 /nfs/dbraw/zinc/16/54/07/330165407.db2.gz JECLJTKOUZXVCG-YJNKXOJESA-N 2 1 268.401 0.918 20 30 CCEDMP CC(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424127946 330259583 /nfs/dbraw/zinc/25/95/83/330259583.db2.gz DWLNQMLYKGLEEQ-LBPRGKRZSA-N 2 1 252.362 0.560 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000424158036 330305245 /nfs/dbraw/zinc/30/52/45/330305245.db2.gz QFCJNNZMYMYOPA-CHWSQXEVSA-N 2 1 264.373 0.704 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000424158036 330305246 /nfs/dbraw/zinc/30/52/46/330305246.db2.gz QFCJNNZMYMYOPA-CHWSQXEVSA-N 2 1 264.373 0.704 20 30 CCEDMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424172826 330312850 /nfs/dbraw/zinc/31/28/50/330312850.db2.gz KTIXQTJDFRNTKB-OLZOCXBDSA-N 2 1 266.389 0.806 20 30 CCEDMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424172826 330312851 /nfs/dbraw/zinc/31/28/51/330312851.db2.gz KTIXQTJDFRNTKB-OLZOCXBDSA-N 2 1 266.389 0.806 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000490635620 332098236 /nfs/dbraw/zinc/09/82/36/332098236.db2.gz IIYCQRFGRTZDKE-CQSZACIVSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000491203181 332165270 /nfs/dbraw/zinc/16/52/70/332165270.db2.gz TWOGTUARENVNAK-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000491203181 332165271 /nfs/dbraw/zinc/16/52/71/332165271.db2.gz TWOGTUARENVNAK-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@H]2CC)CC1 ZINC000491504870 332224584 /nfs/dbraw/zinc/22/45/84/332224584.db2.gz JKNQJNXKBSURIT-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000491631728 332254335 /nfs/dbraw/zinc/25/43/35/332254335.db2.gz YVQRQUQNOKXLBZ-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000491706821 332299647 /nfs/dbraw/zinc/29/96/47/332299647.db2.gz NYABEYYURPWWSU-ZDUSSCGKSA-N 2 1 266.389 0.240 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH2+]C(C)C ZINC000491734317 332315033 /nfs/dbraw/zinc/31/50/33/332315033.db2.gz BKQHIAQKURUDAA-UHFFFAOYSA-N 2 1 268.405 0.629 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000491782321 332346182 /nfs/dbraw/zinc/34/61/82/332346182.db2.gz OZBBKGSBVHIPGN-JTQLQIEISA-N 2 1 276.331 0.223 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CCC(=O)OCC)CC1 ZINC000579343799 335736329 /nfs/dbraw/zinc/73/63/29/335736329.db2.gz KAECUIQVICWWRS-AWEZNQCLSA-N 2 1 284.400 0.931 20 30 CCEDMP C=C[C@H](O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668618097 545184150 /nfs/dbraw/zinc/18/41/50/545184150.db2.gz OBNGEBMVHKKXBO-KBPBESRZSA-N 2 1 281.400 0.160 20 30 CCEDMP COC(=O)CCC[NH+]1CCC(=NN2CC[NH+](C)CC2)CC1 ZINC000727058711 581299973 /nfs/dbraw/zinc/29/99/73/581299973.db2.gz ROFSOSREYLFFRM-UHFFFAOYSA-N 2 1 296.415 0.639 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000730094646 581644538 /nfs/dbraw/zinc/64/45/38/581644538.db2.gz LYBLQTUVNTVZOY-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000730094646 581644542 /nfs/dbraw/zinc/64/45/42/581644542.db2.gz LYBLQTUVNTVZOY-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000742915655 581798089 /nfs/dbraw/zinc/79/80/89/581798089.db2.gz OHYOZIQQKVUBMO-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000742915655 581798090 /nfs/dbraw/zinc/79/80/90/581798090.db2.gz OHYOZIQQKVUBMO-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC)C1 ZINC000742915655 581798093 /nfs/dbraw/zinc/79/80/93/581798093.db2.gz OHYOZIQQKVUBMO-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC)C1 ZINC000742915655 581798095 /nfs/dbraw/zinc/79/80/95/581798095.db2.gz OHYOZIQQKVUBMO-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000764056259 582029716 /nfs/dbraw/zinc/02/97/16/582029716.db2.gz KJUOFBRYZHILQM-OKILXGFUSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CC[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000886353937 613046986 /nfs/dbraw/zinc/04/69/86/613046986.db2.gz SPWBPRWQOYTHKW-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000886573850 613069511 /nfs/dbraw/zinc/06/95/11/613069511.db2.gz YYKJJELZLRKKAE-CQSZACIVSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851661579 613074068 /nfs/dbraw/zinc/07/40/68/613074068.db2.gz LKXJRAYWIKLDLA-VXGBXAGGSA-N 2 1 270.352 0.022 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903178880 613079118 /nfs/dbraw/zinc/07/91/18/613079118.db2.gz ZRBVMJAHGLIDSI-KGLIPLIRSA-N 2 1 252.358 0.479 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903178880 613079120 /nfs/dbraw/zinc/07/91/20/613079120.db2.gz ZRBVMJAHGLIDSI-KGLIPLIRSA-N 2 1 252.358 0.479 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000969738906 612962810 /nfs/dbraw/zinc/96/28/10/612962810.db2.gz XTUUBNFZYWFBRC-ZIAGYGMSSA-N 2 1 286.379 0.578 20 30 CCEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000960328142 612971536 /nfs/dbraw/zinc/97/15/36/612971536.db2.gz ABBARQZQYIKVRN-USXIJHARSA-N 2 1 297.402 0.943 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000977924084 613041430 /nfs/dbraw/zinc/04/14/30/613041430.db2.gz VMKKQFUMWMSADD-XQLPTFJDSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977924084 613041431 /nfs/dbraw/zinc/04/14/31/613041431.db2.gz VMKKQFUMWMSADD-XQLPTFJDSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977924084 613041432 /nfs/dbraw/zinc/04/14/32/613041432.db2.gz VMKKQFUMWMSADD-XQLPTFJDSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000962559403 613043539 /nfs/dbraw/zinc/04/35/39/613043539.db2.gz VPGBMHGCWDUWCQ-MQYQWHSLSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962559403 613043541 /nfs/dbraw/zinc/04/35/41/613043541.db2.gz VPGBMHGCWDUWCQ-MQYQWHSLSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962559403 613043543 /nfs/dbraw/zinc/04/35/43/613043543.db2.gz VPGBMHGCWDUWCQ-MQYQWHSLSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969951447 613122887 /nfs/dbraw/zinc/12/28/87/613122887.db2.gz ZSZWTIKNEJPUPJ-AWEZNQCLSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C[N@H+](CC)C2CC2)CC1 ZINC000928655577 613132909 /nfs/dbraw/zinc/13/29/09/613132909.db2.gz ZRKCAQDJJPNBRL-UHFFFAOYSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000928648341 613136810 /nfs/dbraw/zinc/13/68/10/613136810.db2.gz LBNBESQRQUYIDU-HUUCEWRRSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000982150437 613141383 /nfs/dbraw/zinc/14/13/83/613141383.db2.gz GCTUZSWSKUXORF-UHFFFAOYSA-N 2 1 286.379 0.749 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000982150437 613141384 /nfs/dbraw/zinc/14/13/84/613141384.db2.gz GCTUZSWSKUXORF-UHFFFAOYSA-N 2 1 286.379 0.749 20 30 CCEDMP C#C[C@](C)(CC)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000818028622 613164306 /nfs/dbraw/zinc/16/43/06/613164306.db2.gz NLUHLFUVAGUWBG-CQSZACIVSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(CC)[C@@H]2CC[N@H+](C)C2)C1 ZINC000890364384 613167116 /nfs/dbraw/zinc/16/71/16/613167116.db2.gz ZFOYHDBWFMLGFQ-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000890364384 613167118 /nfs/dbraw/zinc/16/71/18/613167118.db2.gz ZFOYHDBWFMLGFQ-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CC)[C@@H]2CC[NH+](C)C2)C1 ZINC000890364384 613167119 /nfs/dbraw/zinc/16/71/19/613167119.db2.gz ZFOYHDBWFMLGFQ-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC)[C@@H]2CC[NH+](C)C2)C1 ZINC000890364384 613167121 /nfs/dbraw/zinc/16/71/21/613167121.db2.gz ZFOYHDBWFMLGFQ-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000816951216 613196914 /nfs/dbraw/zinc/19/69/14/613196914.db2.gz KKGOLGIKTWQXAZ-HZSPNIEDSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000816951216 613196916 /nfs/dbraw/zinc/19/69/16/613196916.db2.gz KKGOLGIKTWQXAZ-HZSPNIEDSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000816951216 613196918 /nfs/dbraw/zinc/19/69/18/613196918.db2.gz KKGOLGIKTWQXAZ-HZSPNIEDSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000816951216 613196919 /nfs/dbraw/zinc/19/69/19/613196919.db2.gz KKGOLGIKTWQXAZ-HZSPNIEDSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC000983906117 613201420 /nfs/dbraw/zinc/20/14/20/613201420.db2.gz QXEBOEIJXICSMV-JYJNAYRXSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC000983906117 613201421 /nfs/dbraw/zinc/20/14/21/613201421.db2.gz QXEBOEIJXICSMV-JYJNAYRXSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598133 613225188 /nfs/dbraw/zinc/22/51/88/613225188.db2.gz RVIPKIWBGLGZNH-DZGCQCFKSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000961787409 613313598 /nfs/dbraw/zinc/31/35/98/613313598.db2.gz KBZLGCURDILLOD-CXTNEJHOSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000961787409 613313600 /nfs/dbraw/zinc/31/36/00/613313600.db2.gz KBZLGCURDILLOD-CXTNEJHOSA-N 2 1 261.369 0.008 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000961787409 613313602 /nfs/dbraw/zinc/31/36/02/613313602.db2.gz KBZLGCURDILLOD-CXTNEJHOSA-N 2 1 261.369 0.008 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374794 613339093 /nfs/dbraw/zinc/33/90/93/613339093.db2.gz OHDNBJCMMCAYJN-LSDHHAIUSA-N 2 1 295.427 0.313 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000907543382 613363826 /nfs/dbraw/zinc/36/38/26/613363826.db2.gz FFJCKJHAZCVKAQ-CYBMUJFWSA-N 2 1 269.389 0.019 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000907543382 613363827 /nfs/dbraw/zinc/36/38/27/613363827.db2.gz FFJCKJHAZCVKAQ-CYBMUJFWSA-N 2 1 269.389 0.019 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000908526779 613365054 /nfs/dbraw/zinc/36/50/54/613365054.db2.gz OFPWPLUUMKCPLU-CQSZACIVSA-N 2 1 283.416 0.457 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](CCOC)C1 ZINC000900605781 613365277 /nfs/dbraw/zinc/36/52/77/613365277.db2.gz MJLOMCRAZKIMHW-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000854568855 613365916 /nfs/dbraw/zinc/36/59/16/613365916.db2.gz FLYAWPCCQUNGRE-CQSZACIVSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(Cl)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000852743221 613374100 /nfs/dbraw/zinc/37/41/00/613374100.db2.gz BQNXWPHDPBZKGC-GFCCVEGCSA-N 2 1 271.792 0.883 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000876854287 613387654 /nfs/dbraw/zinc/38/76/54/613387654.db2.gz TZELGCWBYIFZPI-SFYZADRCSA-N 2 1 267.707 0.522 20 30 CCEDMP C=CCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849023698 613467353 /nfs/dbraw/zinc/46/73/53/613467353.db2.gz AJAIYBPZHWHDRM-UHFFFAOYSA-N 2 1 254.378 0.789 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549146 613571844 /nfs/dbraw/zinc/57/18/44/613571844.db2.gz NKLFMARTEGVVSG-CABCVRRESA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000923411842 613586728 /nfs/dbraw/zinc/58/67/28/613586728.db2.gz SNIURNKXDPDVTP-QWHCGFSZSA-N 2 1 265.361 0.311 20 30 CCEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000878342518 613641821 /nfs/dbraw/zinc/64/18/21/613641821.db2.gz YHPXYSFXCRXMFX-UHFFFAOYSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000878342518 613641822 /nfs/dbraw/zinc/64/18/22/613641822.db2.gz YHPXYSFXCRXMFX-UHFFFAOYSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](C)COC ZINC000923387868 613651238 /nfs/dbraw/zinc/65/12/38/613651238.db2.gz ZVQLOFPDXUKYOO-OLZOCXBDSA-N 2 1 254.374 0.888 20 30 CCEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000941571368 613660713 /nfs/dbraw/zinc/66/07/13/613660713.db2.gz SPQXPTVWMCSIIW-HNNXBMFYSA-N 2 1 294.443 0.341 20 30 CCEDMP C=CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981208731 613692819 /nfs/dbraw/zinc/69/28/19/613692819.db2.gz BSFNEUMRBZXDMU-GJZGRUSLSA-N 2 1 293.411 0.570 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000981208731 613692820 /nfs/dbraw/zinc/69/28/20/613692820.db2.gz BSFNEUMRBZXDMU-GJZGRUSLSA-N 2 1 293.411 0.570 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000981208731 613692822 /nfs/dbraw/zinc/69/28/22/613692822.db2.gz BSFNEUMRBZXDMU-GJZGRUSLSA-N 2 1 293.411 0.570 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000961595026 613840422 /nfs/dbraw/zinc/84/04/22/613840422.db2.gz HLKOPMDBMVFDRO-BTFPBAQTSA-N 2 1 277.412 0.949 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000961595026 613840423 /nfs/dbraw/zinc/84/04/23/613840423.db2.gz HLKOPMDBMVFDRO-BTFPBAQTSA-N 2 1 277.412 0.949 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000961595026 613840424 /nfs/dbraw/zinc/84/04/24/613840424.db2.gz HLKOPMDBMVFDRO-BTFPBAQTSA-N 2 1 277.412 0.949 20 30 CCEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801460 614327444 /nfs/dbraw/zinc/32/74/44/614327444.db2.gz CWWRLEBIDVVOPD-WDEREUQCSA-N 2 1 261.329 0.234 20 30 CCEDMP C[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@H]21 ZINC000877248493 616310394 /nfs/dbraw/zinc/31/03/94/616310394.db2.gz ACFRLGPUFYIJOF-HUUCEWRRSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001026099972 625333320 /nfs/dbraw/zinc/33/33/20/625333320.db2.gz PILIRHDZTHEJMC-AALSBFMBSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026099972 625333321 /nfs/dbraw/zinc/33/33/21/625333321.db2.gz PILIRHDZTHEJMC-AALSBFMBSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026099972 625333322 /nfs/dbraw/zinc/33/33/22/625333322.db2.gz PILIRHDZTHEJMC-AALSBFMBSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCO)CC1 ZINC001026508669 625464724 /nfs/dbraw/zinc/46/47/24/625464724.db2.gz DTORHUVNJOPKAA-NRXISQOPSA-N 2 1 293.411 0.093 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCO)CC1 ZINC001026508669 625464729 /nfs/dbraw/zinc/46/47/29/625464729.db2.gz DTORHUVNJOPKAA-NRXISQOPSA-N 2 1 293.411 0.093 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023292537 622984716 /nfs/dbraw/zinc/98/47/16/622984716.db2.gz WRLXQZYOKWHDBL-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023292537 622984729 /nfs/dbraw/zinc/98/47/29/622984729.db2.gz WRLXQZYOKWHDBL-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292537 622984739 /nfs/dbraw/zinc/98/47/39/622984739.db2.gz WRLXQZYOKWHDBL-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292537 622984748 /nfs/dbraw/zinc/98/47/48/622984748.db2.gz WRLXQZYOKWHDBL-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC#C)C1 ZINC001023421828 623026937 /nfs/dbraw/zinc/02/69/37/623026937.db2.gz IHCMUNJFNYDTSX-CVEARBPZSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC#C)C1 ZINC001023421828 623026941 /nfs/dbraw/zinc/02/69/41/623026941.db2.gz IHCMUNJFNYDTSX-CVEARBPZSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC#C)C1 ZINC001023421828 623026947 /nfs/dbraw/zinc/02/69/47/623026947.db2.gz IHCMUNJFNYDTSX-CVEARBPZSA-N 2 1 287.407 0.545 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC#C)C1 ZINC001023421828 623026951 /nfs/dbraw/zinc/02/69/51/623026951.db2.gz IHCMUNJFNYDTSX-CVEARBPZSA-N 2 1 287.407 0.545 20 30 CCEDMP CCNC(NC[C@H]1C[N@@H+](CC(C)C)CCO1)=[NH+]CC ZINC000195522028 625619945 /nfs/dbraw/zinc/61/99/45/625619945.db2.gz KHSHWRWRMKOIRH-ZDUSSCGKSA-N 2 1 270.421 0.918 20 30 CCEDMP C[C@@H]1CCCN(C(=[NH2+])NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000170912751 623813717 /nfs/dbraw/zinc/81/37/17/623813717.db2.gz AHFMWEXTNUIRDE-CYBMUJFWSA-N 2 1 295.431 0.197 20 30 CCEDMP CC[N@H+]1CC[C@H](CNC(=[NH+]C)N(C)C[C@H]2CCOC2)C1 ZINC000261696310 624815793 /nfs/dbraw/zinc/81/57/93/624815793.db2.gz SKXPJJIKNLUOPT-ZIAGYGMSSA-N 2 1 282.432 0.872 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001027794737 630924941 /nfs/dbraw/zinc/92/49/41/630924941.db2.gz INCXYOMLVKCLER-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027794737 630924943 /nfs/dbraw/zinc/92/49/43/630924943.db2.gz INCXYOMLVKCLER-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027794737 630924946 /nfs/dbraw/zinc/92/49/46/630924946.db2.gz INCXYOMLVKCLER-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001027804801 630933355 /nfs/dbraw/zinc/93/33/55/630933355.db2.gz IGCUIUIBMTYLQL-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027804801 630933361 /nfs/dbraw/zinc/93/33/61/630933361.db2.gz IGCUIUIBMTYLQL-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027804801 630933366 /nfs/dbraw/zinc/93/33/66/630933366.db2.gz IGCUIUIBMTYLQL-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027804801 630933371 /nfs/dbraw/zinc/93/33/71/630933371.db2.gz IGCUIUIBMTYLQL-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP CC[NH+]=C(NCCO)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261743881 631566986 /nfs/dbraw/zinc/56/69/86/631566986.db2.gz KYRSHWXIZLXJAE-ZYHUDNBSSA-N 2 1 254.378 0.017 20 30 CCEDMP C[NH+]=C(NCc1nnc(C)n1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261933335 631707123 /nfs/dbraw/zinc/70/71/23/631707123.db2.gz BWCMIMVHSBCFIS-NSHDSACASA-N 2 1 291.403 0.025 20 30 CCEDMP C[NH+]=C(NCc1nnc(C)n1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000261933335 631707132 /nfs/dbraw/zinc/70/71/32/631707132.db2.gz BWCMIMVHSBCFIS-NSHDSACASA-N 2 1 291.403 0.025 20 30 CCEDMP C[NH+]=C(NCC(C)(C)C(N)=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262005869 631751352 /nfs/dbraw/zinc/75/13/52/631751352.db2.gz VOPWIEXYGAPMDM-CMPLNLGQSA-N 2 1 295.431 0.146 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(O)CCCC1 ZINC000262007368 631751756 /nfs/dbraw/zinc/75/17/56/631751756.db2.gz SACYPCSHRNXVQW-LBPRGKRZSA-N 2 1 268.405 0.680 20 30 CCEDMP COCC[N@@H+](C)CCCNC(=[NH2+])NCCC(C)C ZINC000303905978 631842170 /nfs/dbraw/zinc/84/21/70/631842170.db2.gz VTDXZJQIQTUKKB-UHFFFAOYSA-N 2 1 258.410 0.905 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007352467 650075211 /nfs/dbraw/zinc/07/52/11/650075211.db2.gz ZBGQXCVXTDZOFM-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007352467 650075214 /nfs/dbraw/zinc/07/52/14/650075214.db2.gz ZBGQXCVXTDZOFM-CVEARBPZSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001008531234 650118599 /nfs/dbraw/zinc/11/85/99/650118599.db2.gz LHFQSTARTJTPCL-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001008531234 650118600 /nfs/dbraw/zinc/11/86/00/650118600.db2.gz LHFQSTARTJTPCL-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001008531234 650118601 /nfs/dbraw/zinc/11/86/01/650118601.db2.gz LHFQSTARTJTPCL-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001008531234 650118602 /nfs/dbraw/zinc/11/86/02/650118602.db2.gz LHFQSTARTJTPCL-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001009595922 650150672 /nfs/dbraw/zinc/15/06/72/650150672.db2.gz QWMUKWNDTMBWSD-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001009595922 650150674 /nfs/dbraw/zinc/15/06/74/650150674.db2.gz QWMUKWNDTMBWSD-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009595922 650150676 /nfs/dbraw/zinc/15/06/76/650150676.db2.gz QWMUKWNDTMBWSD-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009595922 650150678 /nfs/dbraw/zinc/15/06/78/650150678.db2.gz QWMUKWNDTMBWSD-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995588916 638779719 /nfs/dbraw/zinc/77/97/19/638779719.db2.gz MILLVLLADKOZNU-QWHCGFSZSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995588916 638779721 /nfs/dbraw/zinc/77/97/21/638779721.db2.gz MILLVLLADKOZNU-QWHCGFSZSA-N 2 1 281.400 0.330 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995605734 638780546 /nfs/dbraw/zinc/78/05/46/638780546.db2.gz ONUDFOGNUFCERR-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995605734 638780548 /nfs/dbraw/zinc/78/05/48/638780548.db2.gz ONUDFOGNUFCERR-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP CC[NH+]=C(NCc1cnn(C)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083126129 638793153 /nfs/dbraw/zinc/79/31/53/638793153.db2.gz ZSUUXRZFHUZRHN-CYBMUJFWSA-N 2 1 290.415 0.712 20 30 CCEDMP CC[NH+]=C(NCc1cnn(C)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083126129 638793155 /nfs/dbraw/zinc/79/31/55/638793155.db2.gz ZSUUXRZFHUZRHN-CYBMUJFWSA-N 2 1 290.415 0.712 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996301200 638814906 /nfs/dbraw/zinc/81/49/06/638814906.db2.gz RVSQZZDBJPCCTR-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000996765943 638832057 /nfs/dbraw/zinc/83/20/57/638832057.db2.gz TZKUGQNWONZETP-UHFFFAOYSA-N 2 1 290.367 0.564 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC000998922500 638949570 /nfs/dbraw/zinc/94/95/70/638949570.db2.gz GHHFAICIBGMABX-NRXISQOPSA-N 2 1 273.380 0.296 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC000998922500 638949572 /nfs/dbraw/zinc/94/95/72/638949572.db2.gz GHHFAICIBGMABX-NRXISQOPSA-N 2 1 273.380 0.296 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC)C1 ZINC000998927699 638950017 /nfs/dbraw/zinc/95/00/17/638950017.db2.gz IDEXPZBKBQLFGV-RUXDESIVSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC)C1 ZINC000998927699 638950018 /nfs/dbraw/zinc/95/00/18/638950018.db2.gz IDEXPZBKBQLFGV-RUXDESIVSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000999028181 638956070 /nfs/dbraw/zinc/95/60/70/638956070.db2.gz PFQHYKSYLRKHQW-UHFFFAOYSA-N 2 1 290.367 0.562 20 30 CCEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001000547353 639117478 /nfs/dbraw/zinc/11/74/78/639117478.db2.gz LZDOWHWXMRJVMX-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001000547353 639117479 /nfs/dbraw/zinc/11/74/79/639117479.db2.gz LZDOWHWXMRJVMX-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000547353 639117486 /nfs/dbraw/zinc/11/74/86/639117486.db2.gz LZDOWHWXMRJVMX-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000547353 639117489 /nfs/dbraw/zinc/11/74/89/639117489.db2.gz LZDOWHWXMRJVMX-OAHLLOKOSA-N 2 1 293.411 0.641 20 30 CCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001001278967 639273731 /nfs/dbraw/zinc/27/37/31/639273731.db2.gz OJWABDRFNZRDIF-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001001375047 639290987 /nfs/dbraw/zinc/29/09/87/639290987.db2.gz ZEKVOIPVNKPQAR-UHFFFAOYSA-N 2 1 287.407 0.854 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002475407 639418983 /nfs/dbraw/zinc/41/89/83/639418983.db2.gz NEFTUVBWLKIMHC-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001006002510 640062629 /nfs/dbraw/zinc/06/26/29/640062629.db2.gz XWQGQZGVKDNAJR-UKRRQHHQSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015292529 650551253 /nfs/dbraw/zinc/55/12/53/650551253.db2.gz DHNYTFFHFZROGW-ZDUSSCGKSA-N 2 1 260.341 0.405 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015292529 650551257 /nfs/dbraw/zinc/55/12/57/650551257.db2.gz DHNYTFFHFZROGW-ZDUSSCGKSA-N 2 1 260.341 0.405 20 30 CCEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000923410540 640127868 /nfs/dbraw/zinc/12/78/68/640127868.db2.gz HNYMKBIIHJNNCE-BPLDGKMQSA-N 2 1 289.379 0.825 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003687 650673527 /nfs/dbraw/zinc/67/35/27/650673527.db2.gz MWCQKECAZJTSGP-ZDUSSCGKSA-N 2 1 263.385 0.849 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016251530 650706011 /nfs/dbraw/zinc/70/60/11/650706011.db2.gz VPXQOMOGPZVPFY-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016251530 650706012 /nfs/dbraw/zinc/70/60/12/650706012.db2.gz VPXQOMOGPZVPFY-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016251530 650706014 /nfs/dbraw/zinc/70/60/14/650706014.db2.gz VPXQOMOGPZVPFY-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000834485425 642576721 /nfs/dbraw/zinc/57/67/21/642576721.db2.gz WPZFOPPIVFZELY-KCXAZCMYSA-N 2 1 298.390 0.661 20 30 CCEDMP C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)[N@H+]1CCc2ccccc2C1 ZINC000834485425 642576735 /nfs/dbraw/zinc/57/67/35/642576735.db2.gz WPZFOPPIVFZELY-KCXAZCMYSA-N 2 1 298.390 0.661 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001016825307 650763609 /nfs/dbraw/zinc/76/36/09/650763609.db2.gz HNZDRKGTOUPVKY-HUUCEWRRSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001018865000 650917029 /nfs/dbraw/zinc/91/70/29/650917029.db2.gz CUZHZSTUIVNGRS-FRRDWIJNSA-N 2 1 251.374 0.703 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001019778085 651004152 /nfs/dbraw/zinc/00/41/52/651004152.db2.gz NWGARYHQBGXRPG-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020178648 651046315 /nfs/dbraw/zinc/04/63/15/651046315.db2.gz AMVCMXUCLYYNIJ-XUXIUFHCSA-N 2 1 279.384 0.272 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001006405379 647971354 /nfs/dbraw/zinc/97/13/54/647971354.db2.gz FGYGUKFRDFTRGT-UHFFFAOYSA-N 2 1 274.368 0.748 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)COC ZINC000245930143 649659854 /nfs/dbraw/zinc/65/98/54/649659854.db2.gz YPVFGJZDXZWYAX-NWDGAFQWSA-N 2 1 256.394 0.658 20 30 CCEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000303369488 649817346 /nfs/dbraw/zinc/81/73/46/649817346.db2.gz JQGXLXFSYREVGB-UONOGXRCSA-N 2 1 283.464 0.963 20 30 CCEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000303379871 649817568 /nfs/dbraw/zinc/81/75/68/649817568.db2.gz QMJFWPDCSIMOGG-QWHCGFSZSA-N 2 1 269.437 0.573 20 30 CCEDMP COCC[N@@H+](C)CCCNC(=[NH2+])N1CCSCC1 ZINC000303868835 649825972 /nfs/dbraw/zinc/82/59/72/649825972.db2.gz ALQCYNGBHDWVTH-UHFFFAOYSA-N 2 1 274.434 0.318 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](C)CCC=C ZINC001266284898 790405400 /nfs/dbraw/zinc/40/54/00/790405400.db2.gz LQDGQYMGBJTLQR-AWEZNQCLSA-N 2 1 263.385 0.708 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC=C ZINC001266284898 790405403 /nfs/dbraw/zinc/40/54/03/790405403.db2.gz LQDGQYMGBJTLQR-AWEZNQCLSA-N 2 1 263.385 0.708 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCC=C ZINC001266284898 790405406 /nfs/dbraw/zinc/40/54/06/790405406.db2.gz LQDGQYMGBJTLQR-AWEZNQCLSA-N 2 1 263.385 0.708 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC=C ZINC001266284898 790405409 /nfs/dbraw/zinc/40/54/09/790405409.db2.gz LQDGQYMGBJTLQR-AWEZNQCLSA-N 2 1 263.385 0.708 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC=C ZINC001266284898 790405412 /nfs/dbraw/zinc/40/54/12/790405412.db2.gz LQDGQYMGBJTLQR-AWEZNQCLSA-N 2 1 263.385 0.708 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083195918 790625888 /nfs/dbraw/zinc/62/58/88/790625888.db2.gz WFTXQXVWYNMESE-SOUVJXGZSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266427795 790682314 /nfs/dbraw/zinc/68/23/14/790682314.db2.gz AYYOJEDUGBHBFV-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[NH+](CC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266427795 790682319 /nfs/dbraw/zinc/68/23/19/790682319.db2.gz AYYOJEDUGBHBFV-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[NH+](CC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266427795 790682322 /nfs/dbraw/zinc/68/23/22/790682322.db2.gz AYYOJEDUGBHBFV-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001266533674 790886801 /nfs/dbraw/zinc/88/68/01/790886801.db2.gz ODDNTLAEVCAFNW-GJZGRUSLSA-N 2 1 295.427 0.415 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038137911 791250910 /nfs/dbraw/zinc/25/09/10/791250910.db2.gz SOHQFUFHTCOIAY-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038137911 791250918 /nfs/dbraw/zinc/25/09/18/791250918.db2.gz SOHQFUFHTCOIAY-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038137911 791250925 /nfs/dbraw/zinc/25/09/25/791250925.db2.gz SOHQFUFHTCOIAY-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038137911 791250932 /nfs/dbraw/zinc/25/09/32/791250932.db2.gz SOHQFUFHTCOIAY-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001267034290 791464666 /nfs/dbraw/zinc/46/46/66/791464666.db2.gz GQIVYKJFXAJAEY-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001267034290 791464672 /nfs/dbraw/zinc/46/46/72/791464672.db2.gz GQIVYKJFXAJAEY-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001267056691 791486519 /nfs/dbraw/zinc/48/65/19/791486519.db2.gz SNWAUOOEWKVKMF-ZNMIVQPWSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001267121546 791564285 /nfs/dbraw/zinc/56/42/85/791564285.db2.gz CAZWUGAUMRDEPN-QWHCGFSZSA-N 2 1 251.374 0.588 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246021637 807119778 /nfs/dbraw/zinc/11/97/78/807119778.db2.gz LCAYFVNSDDFGQY-BFHYXJOUSA-N 2 1 256.390 0.857 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246020417 807120831 /nfs/dbraw/zinc/12/08/31/807120831.db2.gz LBCKIMOGVSLWBG-QWHCGFSZSA-N 2 1 258.337 0.150 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001277968191 806503493 /nfs/dbraw/zinc/50/34/93/806503493.db2.gz CPNYXKNIVUTWKQ-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150625084 800353252 /nfs/dbraw/zinc/35/32/52/800353252.db2.gz ITLWYRAZGFUZDW-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150625084 800353255 /nfs/dbraw/zinc/35/32/55/800353255.db2.gz ITLWYRAZGFUZDW-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150625084 800353260 /nfs/dbraw/zinc/35/32/60/800353260.db2.gz ITLWYRAZGFUZDW-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150772298 800367429 /nfs/dbraw/zinc/36/74/29/800367429.db2.gz PQEULUURBMQQOU-AWEZNQCLSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150772298 800367437 /nfs/dbraw/zinc/36/74/37/800367437.db2.gz PQEULUURBMQQOU-AWEZNQCLSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150772298 800367445 /nfs/dbraw/zinc/36/74/45/800367445.db2.gz PQEULUURBMQQOU-AWEZNQCLSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150772298 800367452 /nfs/dbraw/zinc/36/74/52/800367452.db2.gz PQEULUURBMQQOU-AWEZNQCLSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156882731 801253452 /nfs/dbraw/zinc/25/34/52/801253452.db2.gz KTUALQDWJRBBEQ-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156882731 801253457 /nfs/dbraw/zinc/25/34/57/801253457.db2.gz KTUALQDWJRBBEQ-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156882731 801253461 /nfs/dbraw/zinc/25/34/61/801253461.db2.gz KTUALQDWJRBBEQ-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158029748 801556222 /nfs/dbraw/zinc/55/62/22/801556222.db2.gz KXBCWIONYNLHCO-KGLIPLIRSA-N 2 1 263.385 0.590 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161387272 802143896 /nfs/dbraw/zinc/14/38/96/802143896.db2.gz PPKKWPVDIFBMPM-HNNXBMFYSA-N 2 1 290.342 0.656 20 30 CCEDMP N#CCc1ccnc(NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001161871328 802236096 /nfs/dbraw/zinc/23/60/96/802236096.db2.gz XRGBLUWRMDWPJJ-UHFFFAOYSA-N 2 1 259.357 0.983 20 30 CCEDMP C[NH+]1CCC(C#N)(Nc2ncc3c(n2)CC[NH2+]C3)CC1 ZINC001162225767 802293622 /nfs/dbraw/zinc/29/36/22/802293622.db2.gz SZZLITQHZYCCOX-UHFFFAOYSA-N 2 1 272.356 0.522 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164536741 802758659 /nfs/dbraw/zinc/75/86/59/802758659.db2.gz YOIVHNOFWXUCGX-AWEZNQCLSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203641696 803040131 /nfs/dbraw/zinc/04/01/31/803040131.db2.gz UJAPCALBCFSQMZ-KBPBESRZSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203698882 803041792 /nfs/dbraw/zinc/04/17/92/803041792.db2.gz CRPHMFYEJZQSDG-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001204793641 803101647 /nfs/dbraw/zinc/10/16/47/803101647.db2.gz KNAPCDVERCHPMQ-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP N#Cc1ccn2ncc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)c2c1 ZINC001205735558 803169411 /nfs/dbraw/zinc/16/94/11/803169411.db2.gz NQSPWVKNURBRPQ-MRXNPFEDSA-N 2 1 299.378 0.882 20 30 CCEDMP N#Cc1ccn2ncc(C[N@@H+]3CCCC[C@@](O)(C[NH3+])C3)c2c1 ZINC001205735558 803169414 /nfs/dbraw/zinc/16/94/14/803169414.db2.gz NQSPWVKNURBRPQ-MRXNPFEDSA-N 2 1 299.378 0.882 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028757604 813445283 /nfs/dbraw/zinc/44/52/83/813445283.db2.gz GPMPNGZAZPYNEO-LSDHHAIUSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757604 813445288 /nfs/dbraw/zinc/44/52/88/813445288.db2.gz GPMPNGZAZPYNEO-LSDHHAIUSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757604 813445294 /nfs/dbraw/zinc/44/52/94/813445294.db2.gz GPMPNGZAZPYNEO-LSDHHAIUSA-N 2 1 293.411 0.167 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206585873 803269812 /nfs/dbraw/zinc/26/98/12/803269812.db2.gz GLHZZMDMOICBOQ-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207735198 803444665 /nfs/dbraw/zinc/44/46/65/803444665.db2.gz YONXSQPMSFWRBJ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207735198 803444669 /nfs/dbraw/zinc/44/46/69/803444669.db2.gz YONXSQPMSFWRBJ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411033 803512131 /nfs/dbraw/zinc/51/21/31/803512131.db2.gz LETDBEIDBWTKMA-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411033 803512134 /nfs/dbraw/zinc/51/21/34/803512134.db2.gz LETDBEIDBWTKMA-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210674562 803657197 /nfs/dbraw/zinc/65/71/97/803657197.db2.gz ZEBSEGBNMSCPOF-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC)C1 ZINC001214878908 803763143 /nfs/dbraw/zinc/76/31/43/803763143.db2.gz ILORKYRWPPJQHY-KFWWJZLASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC)C1 ZINC001214878908 803763146 /nfs/dbraw/zinc/76/31/46/803763146.db2.gz ILORKYRWPPJQHY-KFWWJZLASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155784 803779371 /nfs/dbraw/zinc/77/93/71/803779371.db2.gz JOSXYSFSIXNAQS-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001216511180 803841725 /nfs/dbraw/zinc/84/17/25/803841725.db2.gz LLQUJFAAQBNKJE-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801977 803857025 /nfs/dbraw/zinc/85/70/25/803857025.db2.gz ZVWOQSXBYIFQJT-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801977 803857033 /nfs/dbraw/zinc/85/70/33/803857033.db2.gz ZVWOQSXBYIFQJT-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C#CCCN1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219054517 804187033 /nfs/dbraw/zinc/18/70/33/804187033.db2.gz FEDVQLTTYCWVRV-LSDHHAIUSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219054517 804187038 /nfs/dbraw/zinc/18/70/38/804187038.db2.gz FEDVQLTTYCWVRV-LSDHHAIUSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219054517 804187042 /nfs/dbraw/zinc/18/70/42/804187042.db2.gz FEDVQLTTYCWVRV-LSDHHAIUSA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054517 804187049 /nfs/dbraw/zinc/18/70/49/804187049.db2.gz FEDVQLTTYCWVRV-LSDHHAIUSA-N 2 1 293.411 0.262 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083455546 815012845 /nfs/dbraw/zinc/01/28/45/815012845.db2.gz IDWUCSSOZSERTG-ILXRZTDVSA-N 2 1 295.427 0.597 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455546 815012850 /nfs/dbraw/zinc/01/28/50/815012850.db2.gz IDWUCSSOZSERTG-ILXRZTDVSA-N 2 1 295.427 0.597 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455546 815012862 /nfs/dbraw/zinc/01/28/62/815012862.db2.gz IDWUCSSOZSERTG-ILXRZTDVSA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083455373 815012910 /nfs/dbraw/zinc/01/29/10/815012910.db2.gz AJQIYPVBSADFAN-KFWWJZLASA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083455373 815012920 /nfs/dbraw/zinc/01/29/20/815012920.db2.gz AJQIYPVBSADFAN-KFWWJZLASA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455373 815012926 /nfs/dbraw/zinc/01/29/26/815012926.db2.gz AJQIYPVBSADFAN-KFWWJZLASA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455373 815012933 /nfs/dbraw/zinc/01/29/33/815012933.db2.gz AJQIYPVBSADFAN-KFWWJZLASA-N 2 1 295.427 0.597 20 30 CCEDMP C#CC[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001272138353 815027263 /nfs/dbraw/zinc/02/72/63/815027263.db2.gz UNMRHAOAADQYJJ-UHFFFAOYSA-N 2 1 265.401 0.742 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001272138353 815027269 /nfs/dbraw/zinc/02/72/69/815027269.db2.gz UNMRHAOAADQYJJ-UHFFFAOYSA-N 2 1 265.401 0.742 20 30 CCEDMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001277000885 805082595 /nfs/dbraw/zinc/08/25/95/805082595.db2.gz DVUVYANGRUFEBI-RBSFLKMASA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC#C)CC2)CC1 ZINC000989735334 815088164 /nfs/dbraw/zinc/08/81/64/815088164.db2.gz YKZCYUUFGWQAAV-UHFFFAOYSA-N 2 1 287.407 0.499 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC#C)CC2)CC1 ZINC000989735334 815088170 /nfs/dbraw/zinc/08/81/70/815088170.db2.gz YKZCYUUFGWQAAV-UHFFFAOYSA-N 2 1 287.407 0.499 20 30 CCEDMP C=CCOC[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246017577 807117779 /nfs/dbraw/zinc/11/77/79/807117779.db2.gz BNYDWFIMIIXFGE-MNOVXSKESA-N 2 1 264.316 0.466 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001278415869 807097870 /nfs/dbraw/zinc/09/78/70/807097870.db2.gz JVZJETNGGPNMSQ-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)COCC ZINC001246005609 807113527 /nfs/dbraw/zinc/11/35/27/807113527.db2.gz ZUDYAOYVJNKXJW-OLZOCXBDSA-N 2 1 288.388 0.200 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246017577 807117776 /nfs/dbraw/zinc/11/77/76/807117776.db2.gz BNYDWFIMIIXFGE-MNOVXSKESA-N 2 1 264.316 0.466 20 30 CCEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246579361 807299841 /nfs/dbraw/zinc/29/98/41/807299841.db2.gz ISBXIBRVYKYZHW-TUKIKUTGSA-N 2 1 259.353 0.741 20 30 CCEDMP CC1(C#N)CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246819767 807395416 /nfs/dbraw/zinc/39/54/16/807395416.db2.gz IJRVAYZUDPZSIX-UHFFFAOYSA-N 2 1 293.459 0.543 20 30 CCEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246834191 807400016 /nfs/dbraw/zinc/40/00/16/807400016.db2.gz NFWYTSKLWHYTOV-YIYPIFLZSA-N 2 1 260.385 0.847 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC001251848389 807720108 /nfs/dbraw/zinc/72/01/08/807720108.db2.gz ZZZKVULDXQYBLT-CQSZACIVSA-N 2 1 254.374 0.415 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001251848389 807720111 /nfs/dbraw/zinc/72/01/11/807720111.db2.gz ZZZKVULDXQYBLT-CQSZACIVSA-N 2 1 254.374 0.415 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038117684 815154488 /nfs/dbraw/zinc/15/44/88/815154488.db2.gz PPSSPRGIPHNFQP-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038117684 815154493 /nfs/dbraw/zinc/15/44/93/815154493.db2.gz PPSSPRGIPHNFQP-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038117684 815154497 /nfs/dbraw/zinc/15/44/97/815154497.db2.gz PPSSPRGIPHNFQP-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001278779425 808222020 /nfs/dbraw/zinc/22/20/20/808222020.db2.gz KOZCVUHZFVBEKO-ZDUSSCGKSA-N 2 1 280.372 0.177 20 30 CCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001278786442 808244852 /nfs/dbraw/zinc/24/48/52/808244852.db2.gz CQPZKYUFWAIWRQ-HOCLYGCPSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001278786442 808244858 /nfs/dbraw/zinc/24/48/58/808244858.db2.gz CQPZKYUFWAIWRQ-HOCLYGCPSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001278786442 808244861 /nfs/dbraw/zinc/24/48/61/808244861.db2.gz CQPZKYUFWAIWRQ-HOCLYGCPSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CCOCCOCC[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254508472 808248144 /nfs/dbraw/zinc/24/81/44/808248144.db2.gz JHBHAQSQZLWFPY-AWEZNQCLSA-N 2 1 254.374 0.727 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278806269 808275384 /nfs/dbraw/zinc/27/53/84/808275384.db2.gz XVDKLHKBSHFKKO-DZGCQCFKSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278804559 808276190 /nfs/dbraw/zinc/27/61/90/808276190.db2.gz CKFAUSUBVSQPBW-JSGCOSHPSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001278869667 808394839 /nfs/dbraw/zinc/39/48/39/808394839.db2.gz WHMJMJVXSDXZID-CQSZACIVSA-N 2 1 297.443 0.798 20 30 CCEDMP C#CCOCCOCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071423 808467334 /nfs/dbraw/zinc/46/73/34/808467334.db2.gz WTVPFRWFLUUKNI-UHFFFAOYSA-N 2 1 266.385 0.869 20 30 CCEDMP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001279031807 808627103 /nfs/dbraw/zinc/62/71/03/808627103.db2.gz SCHHODIONSPNHY-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001263095260 809440554 /nfs/dbraw/zinc/44/05/54/809440554.db2.gz IESFOTJJLIBUDJ-OKILXGFUSA-N 2 1 265.401 0.693 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CCOC)CC1 ZINC001263110726 809450971 /nfs/dbraw/zinc/45/09/71/809450971.db2.gz GBDDSYOAKUPSME-CQSZACIVSA-N 2 1 283.416 0.851 20 30 CCEDMP C#CC[N@@H+](CC)CCCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001265147720 809715687 /nfs/dbraw/zinc/71/56/87/809715687.db2.gz HYPNGJPKVDDDMD-UHFFFAOYSA-N 2 1 289.423 0.793 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001265456009 809782816 /nfs/dbraw/zinc/78/28/16/809782816.db2.gz CHZFSFDQRNYXCO-HOCLYGCPSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265906979 809890374 /nfs/dbraw/zinc/89/03/74/809890374.db2.gz WJDBBRQJFYKWMD-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001265906979 809890377 /nfs/dbraw/zinc/89/03/77/809890377.db2.gz WJDBBRQJFYKWMD-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001265906979 809890381 /nfs/dbraw/zinc/89/03/81/809890381.db2.gz WJDBBRQJFYKWMD-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+](CC)CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001266109322 809937426 /nfs/dbraw/zinc/93/74/26/809937426.db2.gz TXXBBGOZQCVEEZ-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266134344 809944809 /nfs/dbraw/zinc/94/48/09/809944809.db2.gz WEDXONJGXJTSFQ-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266134344 809944813 /nfs/dbraw/zinc/94/48/13/809944813.db2.gz WEDXONJGXJTSFQ-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=C(C)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001279408957 809977486 /nfs/dbraw/zinc/97/74/86/809977486.db2.gz OJTSNRGVSRPLTA-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088835689 815360048 /nfs/dbraw/zinc/36/00/48/815360048.db2.gz JBCXMLIJJIFWQS-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+](CCC)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001267317532 811148952 /nfs/dbraw/zinc/14/89/52/811148952.db2.gz CMEPQJICLBXSGM-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076987323 815429697 /nfs/dbraw/zinc/42/96/97/815429697.db2.gz LOJULEKAVUPZQN-QLFBSQMISA-N 2 1 293.411 0.044 20 30 CCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001076987323 815429699 /nfs/dbraw/zinc/42/96/99/815429699.db2.gz LOJULEKAVUPZQN-QLFBSQMISA-N 2 1 293.411 0.044 20 30 CCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076987323 815429702 /nfs/dbraw/zinc/42/97/02/815429702.db2.gz LOJULEKAVUPZQN-QLFBSQMISA-N 2 1 293.411 0.044 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001076987323 815429705 /nfs/dbraw/zinc/42/97/05/815429705.db2.gz LOJULEKAVUPZQN-QLFBSQMISA-N 2 1 293.411 0.044 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077002757 815430279 /nfs/dbraw/zinc/43/02/79/815430279.db2.gz FXSRTOGWNZZKLD-RRFJBIMHSA-N 2 1 293.411 0.066 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267619036 811576983 /nfs/dbraw/zinc/57/69/83/811576983.db2.gz YCWCUPQCSNJBGT-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077218388 815463442 /nfs/dbraw/zinc/46/34/42/815463442.db2.gz YPAHARQEQFQICP-ZIAGYGMSSA-N 2 1 293.411 0.210 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077218388 815463444 /nfs/dbraw/zinc/46/34/44/815463444.db2.gz YPAHARQEQFQICP-ZIAGYGMSSA-N 2 1 293.411 0.210 20 30 CCEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268054920 812146903 /nfs/dbraw/zinc/14/69/03/812146903.db2.gz MUXUCCJGIRTWBG-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027965898 812175447 /nfs/dbraw/zinc/17/54/47/812175447.db2.gz HTKVONIFGUAZNK-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027965898 812175451 /nfs/dbraw/zinc/17/54/51/812175451.db2.gz HTKVONIFGUAZNK-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027965898 812175458 /nfs/dbraw/zinc/17/54/58/812175458.db2.gz HTKVONIFGUAZNK-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027965898 812175467 /nfs/dbraw/zinc/17/54/67/812175467.db2.gz HTKVONIFGUAZNK-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268101317 812260079 /nfs/dbraw/zinc/26/00/79/812260079.db2.gz WMIQYRJBFHWMOH-STQMWFEESA-N 2 1 253.390 0.951 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028316627 812614710 /nfs/dbraw/zinc/61/47/10/812614710.db2.gz SCDVGZWMPMOTLP-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028316627 812614715 /nfs/dbraw/zinc/61/47/15/812614715.db2.gz SCDVGZWMPMOTLP-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028316627 812614718 /nfs/dbraw/zinc/61/47/18/812614718.db2.gz SCDVGZWMPMOTLP-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001028601179 812955006 /nfs/dbraw/zinc/95/50/06/812955006.db2.gz KQPBSMIFLFCKLD-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001028601179 812955013 /nfs/dbraw/zinc/95/50/13/812955013.db2.gz KQPBSMIFLFCKLD-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CC2)C1 ZINC001028601179 812955019 /nfs/dbraw/zinc/95/50/19/812955019.db2.gz KQPBSMIFLFCKLD-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CC2)C1 ZINC001028601179 812955025 /nfs/dbraw/zinc/95/50/25/812955025.db2.gz KQPBSMIFLFCKLD-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001268756376 813069527 /nfs/dbraw/zinc/06/95/27/813069527.db2.gz JMYXHZNNHYXIFX-UONOGXRCSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268756376 813069538 /nfs/dbraw/zinc/06/95/38/813069538.db2.gz JMYXHZNNHYXIFX-UONOGXRCSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268756376 813069545 /nfs/dbraw/zinc/06/95/45/813069545.db2.gz JMYXHZNNHYXIFX-UONOGXRCSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001268901077 813138566 /nfs/dbraw/zinc/13/85/66/813138566.db2.gz YAYRJHYTNBNJPI-OAHLLOKOSA-N 2 1 295.427 0.270 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001269343443 813333042 /nfs/dbraw/zinc/33/30/42/813333042.db2.gz LPWANLFXMGOLKF-CYBMUJFWSA-N 2 1 251.374 0.849 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001028996162 813735884 /nfs/dbraw/zinc/73/58/84/813735884.db2.gz BGZXZWCSNSGZDQ-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001028996162 813735888 /nfs/dbraw/zinc/73/58/88/813735888.db2.gz BGZXZWCSNSGZDQ-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028996162 813735894 /nfs/dbraw/zinc/73/58/94/813735894.db2.gz BGZXZWCSNSGZDQ-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028996162 813735901 /nfs/dbraw/zinc/73/59/01/813735901.db2.gz BGZXZWCSNSGZDQ-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001087529586 814070718 /nfs/dbraw/zinc/07/07/18/814070718.db2.gz MJJNNXXJYLZLTN-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001087529586 814070726 /nfs/dbraw/zinc/07/07/26/814070726.db2.gz MJJNNXXJYLZLTN-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1CC ZINC001087529586 814070734 /nfs/dbraw/zinc/07/07/34/814070734.db2.gz MJJNNXXJYLZLTN-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1CC ZINC001087529586 814070742 /nfs/dbraw/zinc/07/07/42/814070742.db2.gz MJJNNXXJYLZLTN-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001271860146 814614064 /nfs/dbraw/zinc/61/40/64/814614064.db2.gz GKBLWSPWPBPRAW-KGLIPLIRSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001168390829 815738404 /nfs/dbraw/zinc/73/84/04/815738404.db2.gz JEWIQDDSTOBGNB-UHFFFAOYSA-N 2 1 295.427 0.608 20 30 CCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046319709 816500786 /nfs/dbraw/zinc/50/07/86/816500786.db2.gz VLSCPSDLPGCSED-WBVHZDCISA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106840645 816946835 /nfs/dbraw/zinc/94/68/35/816946835.db2.gz YNDMOMFJHMIQJA-ZIAGYGMSSA-N 2 1 265.401 0.646 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001031732057 817296762 /nfs/dbraw/zinc/29/67/62/817296762.db2.gz RQDXCNTWBGYRES-AWEZNQCLSA-N 2 1 286.379 0.832 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC=C)C1 ZINC001031742494 817307460 /nfs/dbraw/zinc/30/74/60/817307460.db2.gz HKKMVWWAMNDKQD-HNNXBMFYSA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC=C)C1 ZINC001031742494 817307469 /nfs/dbraw/zinc/30/74/69/817307469.db2.gz HKKMVWWAMNDKQD-HNNXBMFYSA-N 2 1 275.396 0.708 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127786366 817870279 /nfs/dbraw/zinc/87/02/79/817870279.db2.gz YXCSXGMJKRWSOQ-KGLIPLIRSA-N 2 1 281.400 0.522 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077675104 817981000 /nfs/dbraw/zinc/98/10/00/817981000.db2.gz ASTNQQFDRYXHRQ-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675104 817981003 /nfs/dbraw/zinc/98/10/03/817981003.db2.gz ASTNQQFDRYXHRQ-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675104 817981005 /nfs/dbraw/zinc/98/10/05/817981005.db2.gz ASTNQQFDRYXHRQ-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032960619 818389319 /nfs/dbraw/zinc/38/93/19/818389319.db2.gz XVWLAKPNTLJJCH-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032960619 818389325 /nfs/dbraw/zinc/38/93/25/818389325.db2.gz XVWLAKPNTLJJCH-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032960619 818389333 /nfs/dbraw/zinc/38/93/33/818389333.db2.gz XVWLAKPNTLJJCH-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032960619 818389338 /nfs/dbraw/zinc/38/93/38/818389338.db2.gz XVWLAKPNTLJJCH-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C=CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083832730 818527050 /nfs/dbraw/zinc/52/70/50/818527050.db2.gz SKOVSMZFLGALKY-KFWWJZLASA-N 2 1 295.427 0.597 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001033673628 818879413 /nfs/dbraw/zinc/87/94/13/818879413.db2.gz FOEIGIGOURDZNR-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001033673628 818879421 /nfs/dbraw/zinc/87/94/21/818879421.db2.gz FOEIGIGOURDZNR-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033673628 818879428 /nfs/dbraw/zinc/87/94/28/818879428.db2.gz FOEIGIGOURDZNR-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033673628 818879433 /nfs/dbraw/zinc/87/94/33/818879433.db2.gz FOEIGIGOURDZNR-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034274342 819149673 /nfs/dbraw/zinc/14/96/73/819149673.db2.gz TUQDNPVKZRYZNU-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034274342 819149679 /nfs/dbraw/zinc/14/96/79/819149679.db2.gz TUQDNPVKZRYZNU-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034274342 819149683 /nfs/dbraw/zinc/14/96/83/819149683.db2.gz TUQDNPVKZRYZNU-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034274342 819149688 /nfs/dbraw/zinc/14/96/88/819149688.db2.gz TUQDNPVKZRYZNU-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034738456 819318306 /nfs/dbraw/zinc/31/83/06/819318306.db2.gz SYUPYJATWKXKGJ-AJNGGQMLSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035794212 819626237 /nfs/dbraw/zinc/62/62/37/819626237.db2.gz ANCCXZIBWMYFNM-HUUCEWRRSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035851682 819633017 /nfs/dbraw/zinc/63/30/17/819633017.db2.gz ITTQXVHGYOYHNM-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001036216048 819713203 /nfs/dbraw/zinc/71/32/03/819713203.db2.gz BWCRKSQFLHPIRI-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079687730 820451629 /nfs/dbraw/zinc/45/16/29/820451629.db2.gz UNVMXSQRILGLSC-KFWWJZLASA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079687730 820451634 /nfs/dbraw/zinc/45/16/34/820451634.db2.gz UNVMXSQRILGLSC-KFWWJZLASA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079687730 820451637 /nfs/dbraw/zinc/45/16/37/820451637.db2.gz UNVMXSQRILGLSC-KFWWJZLASA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079687730 820451641 /nfs/dbraw/zinc/45/16/41/820451641.db2.gz UNVMXSQRILGLSC-KFWWJZLASA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001080445369 820577686 /nfs/dbraw/zinc/57/76/86/820577686.db2.gz VXHMSANLKNPATD-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001080445369 820577693 /nfs/dbraw/zinc/57/76/93/820577693.db2.gz VXHMSANLKNPATD-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001080445369 820577698 /nfs/dbraw/zinc/57/76/98/820577698.db2.gz VXHMSANLKNPATD-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001080445369 820577703 /nfs/dbraw/zinc/57/77/03/820577703.db2.gz VXHMSANLKNPATD-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080940856 820657633 /nfs/dbraw/zinc/65/76/33/820657633.db2.gz LAJAPFUKVNSHMO-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080940856 820657639 /nfs/dbraw/zinc/65/76/39/820657639.db2.gz LAJAPFUKVNSHMO-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082202084 820917290 /nfs/dbraw/zinc/91/72/90/820917290.db2.gz DVGXWNBFDBKDDH-HUUCEWRRSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082202084 820917299 /nfs/dbraw/zinc/91/72/99/820917299.db2.gz DVGXWNBFDBKDDH-HUUCEWRRSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC)C1 ZINC001082568892 821000306 /nfs/dbraw/zinc/00/03/06/821000306.db2.gz XBCFUJFBNMZKDD-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC)C1 ZINC001082568892 821000313 /nfs/dbraw/zinc/00/03/13/821000313.db2.gz XBCFUJFBNMZKDD-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CCN1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](O)C1 ZINC001083961283 821174241 /nfs/dbraw/zinc/17/42/41/821174241.db2.gz LAWANNRDGRAUJW-OCCSQVGLSA-N 2 1 290.367 0.109 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084663089 821344821 /nfs/dbraw/zinc/34/48/21/821344821.db2.gz LSEYAPMXBDWWKI-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084663089 821344830 /nfs/dbraw/zinc/34/48/30/821344830.db2.gz LSEYAPMXBDWWKI-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084663089 821344841 /nfs/dbraw/zinc/34/48/41/821344841.db2.gz LSEYAPMXBDWWKI-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084663089 821344848 /nfs/dbraw/zinc/34/48/48/821344848.db2.gz LSEYAPMXBDWWKI-ARFHVFGLSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084910788 821429646 /nfs/dbraw/zinc/42/96/46/821429646.db2.gz BTDVZXAXQSHPMI-QLFBSQMISA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084910788 821429652 /nfs/dbraw/zinc/42/96/52/821429652.db2.gz BTDVZXAXQSHPMI-QLFBSQMISA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910788 821429659 /nfs/dbraw/zinc/42/96/59/821429659.db2.gz BTDVZXAXQSHPMI-QLFBSQMISA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910788 821429665 /nfs/dbraw/zinc/42/96/65/821429665.db2.gz BTDVZXAXQSHPMI-QLFBSQMISA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871602 821467959 /nfs/dbraw/zinc/46/79/59/821467959.db2.gz HUKRFSYPIDJISZ-QWHCGFSZSA-N 2 1 281.400 0.208 20 30 CCEDMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085604785 821847031 /nfs/dbraw/zinc/84/70/31/821847031.db2.gz RTJYJDMVMKODLD-MGPQQGTHSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085604785 821847038 /nfs/dbraw/zinc/84/70/38/821847038.db2.gz RTJYJDMVMKODLD-MGPQQGTHSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085604785 821847042 /nfs/dbraw/zinc/84/70/42/821847042.db2.gz RTJYJDMVMKODLD-MGPQQGTHSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085604785 821847046 /nfs/dbraw/zinc/84/70/46/821847046.db2.gz RTJYJDMVMKODLD-MGPQQGTHSA-N 2 1 263.385 0.493 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988307 821870871 /nfs/dbraw/zinc/87/08/71/821870871.db2.gz GOYTXTOOFLYXAR-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086277036 822185557 /nfs/dbraw/zinc/18/55/57/822185557.db2.gz PFCJRSSCXZNZJY-QLFBSQMISA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086277036 822185561 /nfs/dbraw/zinc/18/55/61/822185561.db2.gz PFCJRSSCXZNZJY-QLFBSQMISA-N 2 1 295.427 0.768 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C(C)C)C1 ZINC001086389366 822234788 /nfs/dbraw/zinc/23/47/88/822234788.db2.gz DTVRKNSDFNFBOK-KKUMJFAQSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C(C)C)C1 ZINC001086389366 822234798 /nfs/dbraw/zinc/23/47/98/822234798.db2.gz DTVRKNSDFNFBOK-KKUMJFAQSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130710733 837899460 /nfs/dbraw/zinc/89/94/60/837899460.db2.gz CBYVYYRSDAZCHQ-ZDUSSCGKSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C=C/Cl ZINC001129790885 837556895 /nfs/dbraw/zinc/55/68/95/837556895.db2.gz MJNOIQLMGOOKGE-FUEXJSSKSA-N 2 1 269.776 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C=C/Cl ZINC001129790885 837556901 /nfs/dbraw/zinc/55/69/01/837556901.db2.gz MJNOIQLMGOOKGE-FUEXJSSKSA-N 2 1 269.776 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC=C(C)C ZINC001129770531 837558913 /nfs/dbraw/zinc/55/89/13/837558913.db2.gz HJQUISFMPXJILO-AWEZNQCLSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC=C(C)C ZINC001129770531 837558932 /nfs/dbraw/zinc/55/89/32/837558932.db2.gz HJQUISFMPXJILO-AWEZNQCLSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183399490 844012894 /nfs/dbraw/zinc/01/28/94/844012894.db2.gz XWJMLHUDRJNLMP-IIAWOOMASA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109406046 836672178 /nfs/dbraw/zinc/67/21/78/836672178.db2.gz MAGVEHVDTFNYEG-ILXRZTDVSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109406046 836672180 /nfs/dbraw/zinc/67/21/80/836672180.db2.gz MAGVEHVDTFNYEG-ILXRZTDVSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109406046 836672184 /nfs/dbraw/zinc/67/21/84/836672184.db2.gz MAGVEHVDTFNYEG-ILXRZTDVSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109406046 836672186 /nfs/dbraw/zinc/67/21/86/836672186.db2.gz MAGVEHVDTFNYEG-ILXRZTDVSA-N 2 1 275.396 0.825 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277409 838352254 /nfs/dbraw/zinc/35/22/54/838352254.db2.gz GWGCPNCBPWRAHP-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132409745 838389759 /nfs/dbraw/zinc/38/97/59/838389759.db2.gz DNZREUDXLDAAFA-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409745 838389765 /nfs/dbraw/zinc/38/97/65/838389765.db2.gz DNZREUDXLDAAFA-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409745 838389768 /nfs/dbraw/zinc/38/97/68/838389768.db2.gz DNZREUDXLDAAFA-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001133000720 838531912 /nfs/dbraw/zinc/53/19/12/838531912.db2.gz IWDZTFPZIWVJKF-GFCCVEGCSA-N 2 1 262.357 0.646 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133863790 838754528 /nfs/dbraw/zinc/75/45/28/838754528.db2.gz POOPYEZOCNWNED-CHWSQXEVSA-N 2 1 253.390 0.856 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001135975696 839488763 /nfs/dbraw/zinc/48/87/63/839488763.db2.gz ASYSGAFYZSALGG-QWHCGFSZSA-N 2 1 253.390 0.834 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246023864 839584789 /nfs/dbraw/zinc/58/47/89/839584789.db2.gz SKGAVPYRCOBZSN-ZIAGYGMSSA-N 2 1 254.374 0.448 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171227347 840150822 /nfs/dbraw/zinc/15/08/22/840150822.db2.gz OEPJHFWPMHIALP-AWEZNQCLSA-N 2 1 283.416 0.627 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001147347532 840562138 /nfs/dbraw/zinc/56/21/38/840562138.db2.gz BIDMLUMOBDMZSP-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148215676 840764430 /nfs/dbraw/zinc/76/44/30/840764430.db2.gz FWHHQCHPLURPEG-UHFFFAOYSA-N 2 1 295.427 0.675 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092504474 841030145 /nfs/dbraw/zinc/03/01/45/841030145.db2.gz PIACVPHHERCFNJ-MCIONIFRSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092504474 841030149 /nfs/dbraw/zinc/03/01/49/841030149.db2.gz PIACVPHHERCFNJ-MCIONIFRSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092504474 841030154 /nfs/dbraw/zinc/03/01/54/841030154.db2.gz PIACVPHHERCFNJ-MCIONIFRSA-N 2 1 263.385 0.398 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176636266 842392636 /nfs/dbraw/zinc/39/26/36/842392636.db2.gz NDMAMGYGOWZCTC-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176636266 842392652 /nfs/dbraw/zinc/39/26/52/842392652.db2.gz NDMAMGYGOWZCTC-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001179719609 843040671 /nfs/dbraw/zinc/04/06/71/843040671.db2.gz KIZRVHSLIOKIBY-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001179731047 843041288 /nfs/dbraw/zinc/04/12/88/843041288.db2.gz MGXMRENBXCTPBF-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181008848 843372549 /nfs/dbraw/zinc/37/25/49/843372549.db2.gz LTTDTSKSQJAIMA-IIAWOOMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181008848 843372555 /nfs/dbraw/zinc/37/25/55/843372555.db2.gz LTTDTSKSQJAIMA-IIAWOOMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810743 845215576 /nfs/dbraw/zinc/21/55/76/845215576.db2.gz FIWAOOGHZOEXFU-LSDHHAIUSA-N 2 1 293.411 0.121 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221907 845357484 /nfs/dbraw/zinc/35/74/84/845357484.db2.gz SOHNZKJFRAPTRY-CVEARBPZSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190370902 845399819 /nfs/dbraw/zinc/39/98/19/845399819.db2.gz LEHWXFBVURTWNP-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190370902 845399825 /nfs/dbraw/zinc/39/98/25/845399825.db2.gz LEHWXFBVURTWNP-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190370902 845399833 /nfs/dbraw/zinc/39/98/33/845399833.db2.gz LEHWXFBVURTWNP-LSDHHAIUSA-N 2 1 277.412 0.883 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048399 846833648 /nfs/dbraw/zinc/83/36/48/846833648.db2.gz ATVBESYYECKTDK-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197886404 846996831 /nfs/dbraw/zinc/99/68/31/846996831.db2.gz SVLLKNYTHFEKFB-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197886404 846996840 /nfs/dbraw/zinc/99/68/40/846996840.db2.gz SVLLKNYTHFEKFB-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200807040 847694193 /nfs/dbraw/zinc/69/41/93/847694193.db2.gz UVFWRZGHZWRGGM-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP N#Cc1ccc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205946553 847894885 /nfs/dbraw/zinc/89/48/85/847894885.db2.gz NHKBNNPNRUGOQT-HUUCEWRRSA-N 2 1 259.353 0.885 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202504178 848002749 /nfs/dbraw/zinc/00/27/49/848002749.db2.gz RAQYWLGSULBSFM-ZFWWWQNUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C)CCOCC1 ZINC001274014372 848302034 /nfs/dbraw/zinc/30/20/34/848302034.db2.gz RFQCUWHIQUSGFW-UHFFFAOYSA-N 2 1 290.367 0.080 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001274752595 848561213 /nfs/dbraw/zinc/56/12/13/848561213.db2.gz DPTRSONGJPURSM-ZIAGYGMSSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038269782 849833638 /nfs/dbraw/zinc/83/36/38/849833638.db2.gz QJIKLJHFAMAZNO-CABCVRRESA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040529912 850297984 /nfs/dbraw/zinc/29/79/84/850297984.db2.gz SJUOKULVTWFZDY-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040529912 850297988 /nfs/dbraw/zinc/29/79/88/850297988.db2.gz SJUOKULVTWFZDY-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040529912 850297997 /nfs/dbraw/zinc/29/79/97/850297997.db2.gz SJUOKULVTWFZDY-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785599 850502825 /nfs/dbraw/zinc/50/28/25/850502825.db2.gz JBDYNEWUFWKMIB-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785599 850502827 /nfs/dbraw/zinc/50/28/27/850502827.db2.gz JBDYNEWUFWKMIB-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785599 850502834 /nfs/dbraw/zinc/50/28/34/850502834.db2.gz JBDYNEWUFWKMIB-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042538389 850688681 /nfs/dbraw/zinc/68/86/81/850688681.db2.gz LBQOUPOOTVHEQA-CYBMUJFWSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042538389 850688686 /nfs/dbraw/zinc/68/86/86/850688686.db2.gz LBQOUPOOTVHEQA-CYBMUJFWSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001044190922 851036846 /nfs/dbraw/zinc/03/68/46/851036846.db2.gz HIKNXTIBRMIXAJ-UHFFFAOYSA-N 2 1 263.385 0.801 20 30 CCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046198249 851417273 /nfs/dbraw/zinc/41/72/73/851417273.db2.gz UCXOEQHOFBCRMW-UKRRQHHQSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046198249 851417275 /nfs/dbraw/zinc/41/72/75/851417275.db2.gz UCXOEQHOFBCRMW-UKRRQHHQSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046198249 851417280 /nfs/dbraw/zinc/41/72/80/851417280.db2.gz UCXOEQHOFBCRMW-UKRRQHHQSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046856062 851633087 /nfs/dbraw/zinc/63/30/87/851633087.db2.gz ZGBUFPPNFXKKEY-GOEBONIOSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046856062 851633091 /nfs/dbraw/zinc/63/30/91/851633091.db2.gz ZGBUFPPNFXKKEY-GOEBONIOSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046856062 851633099 /nfs/dbraw/zinc/63/30/99/851633099.db2.gz ZGBUFPPNFXKKEY-GOEBONIOSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046856062 851633104 /nfs/dbraw/zinc/63/31/04/851633104.db2.gz ZGBUFPPNFXKKEY-GOEBONIOSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059193 852149008 /nfs/dbraw/zinc/14/90/08/852149008.db2.gz CLVOAUPTCSXQAI-WCVJEAGWSA-N 2 1 289.423 0.598 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059193 852149016 /nfs/dbraw/zinc/14/90/16/852149016.db2.gz CLVOAUPTCSXQAI-WCVJEAGWSA-N 2 1 289.423 0.598 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059193 852149025 /nfs/dbraw/zinc/14/90/25/852149025.db2.gz CLVOAUPTCSXQAI-WCVJEAGWSA-N 2 1 289.423 0.598 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059757 852152099 /nfs/dbraw/zinc/15/20/99/852152099.db2.gz FWQDFHWGICPXQV-BYNSBNAKSA-N 2 1 277.412 0.760 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059757 852152110 /nfs/dbraw/zinc/15/21/10/852152110.db2.gz FWQDFHWGICPXQV-BYNSBNAKSA-N 2 1 277.412 0.760 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059757 852152115 /nfs/dbraw/zinc/15/21/15/852152115.db2.gz FWQDFHWGICPXQV-BYNSBNAKSA-N 2 1 277.412 0.760 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049060172 852152508 /nfs/dbraw/zinc/15/25/08/852152508.db2.gz OIEICIBRMPTIJG-CAOSSQGBSA-N 2 1 289.423 0.598 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049060172 852152513 /nfs/dbraw/zinc/15/25/13/852152513.db2.gz OIEICIBRMPTIJG-CAOSSQGBSA-N 2 1 289.423 0.598 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049060172 852152517 /nfs/dbraw/zinc/15/25/17/852152517.db2.gz OIEICIBRMPTIJG-CAOSSQGBSA-N 2 1 289.423 0.598 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049060173 852153430 /nfs/dbraw/zinc/15/34/30/852153430.db2.gz OIEICIBRMPTIJG-JONQDZQNSA-N 2 1 289.423 0.598 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049060173 852153436 /nfs/dbraw/zinc/15/34/36/852153436.db2.gz OIEICIBRMPTIJG-JONQDZQNSA-N 2 1 289.423 0.598 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049060173 852153442 /nfs/dbraw/zinc/15/34/42/852153442.db2.gz OIEICIBRMPTIJG-JONQDZQNSA-N 2 1 289.423 0.598 20 30 CCEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049215070 852195104 /nfs/dbraw/zinc/19/51/04/852195104.db2.gz HZJXJNBGOYIXCK-SOUVJXGZSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049215070 852195107 /nfs/dbraw/zinc/19/51/07/852195107.db2.gz HZJXJNBGOYIXCK-SOUVJXGZSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049215070 852195110 /nfs/dbraw/zinc/19/51/10/852195110.db2.gz HZJXJNBGOYIXCK-SOUVJXGZSA-N 2 1 277.412 0.904 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052934116 852673765 /nfs/dbraw/zinc/67/37/65/852673765.db2.gz IBWNAGVJSLYUKM-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052934116 852673769 /nfs/dbraw/zinc/67/37/69/852673769.db2.gz IBWNAGVJSLYUKM-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052934116 852673773 /nfs/dbraw/zinc/67/37/73/852673773.db2.gz IBWNAGVJSLYUKM-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001052948434 852675814 /nfs/dbraw/zinc/67/58/14/852675814.db2.gz GATYMHMXOFIXNU-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052948434 852675817 /nfs/dbraw/zinc/67/58/17/852675817.db2.gz GATYMHMXOFIXNU-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052948434 852675820 /nfs/dbraw/zinc/67/58/20/852675820.db2.gz GATYMHMXOFIXNU-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052948434 852675824 /nfs/dbraw/zinc/67/58/24/852675824.db2.gz GATYMHMXOFIXNU-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001053755756 852807368 /nfs/dbraw/zinc/80/73/68/852807368.db2.gz JWNKYLTYJUXUEN-ZIAGYGMSSA-N 2 1 293.411 0.616 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001053755756 852807371 /nfs/dbraw/zinc/80/73/71/852807371.db2.gz JWNKYLTYJUXUEN-ZIAGYGMSSA-N 2 1 293.411 0.616 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001054007804 852867398 /nfs/dbraw/zinc/86/73/98/852867398.db2.gz MUUGHEYBGQYJIW-UONOGXRCSA-N 2 1 293.411 0.474 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001054007804 852867407 /nfs/dbraw/zinc/86/74/07/852867407.db2.gz MUUGHEYBGQYJIW-UONOGXRCSA-N 2 1 293.411 0.474 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050460304 853379559 /nfs/dbraw/zinc/37/95/59/853379559.db2.gz UVAJBDWRVVZSLN-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050662522 853409843 /nfs/dbraw/zinc/40/98/43/853409843.db2.gz JKLZMKYPFDPDGH-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052490929 853756427 /nfs/dbraw/zinc/75/64/27/853756427.db2.gz WZSSQPHHUHGZPC-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052490929 853756429 /nfs/dbraw/zinc/75/64/29/853756429.db2.gz WZSSQPHHUHGZPC-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052490929 853756432 /nfs/dbraw/zinc/75/64/32/853756432.db2.gz WZSSQPHHUHGZPC-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052490929 853756435 /nfs/dbraw/zinc/75/64/35/853756435.db2.gz WZSSQPHHUHGZPC-RBSFLKMASA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072981225 854506211 /nfs/dbraw/zinc/50/62/11/854506211.db2.gz AYJYLYBCLPIIIM-HUUCEWRRSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001072981225 854506215 /nfs/dbraw/zinc/50/62/15/854506215.db2.gz AYJYLYBCLPIIIM-HUUCEWRRSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001072981225 854506223 /nfs/dbraw/zinc/50/62/23/854506223.db2.gz AYJYLYBCLPIIIM-HUUCEWRRSA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001072983289 854509389 /nfs/dbraw/zinc/50/93/89/854509389.db2.gz QOFHQSIYKBLARI-ZIAGYGMSSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072983289 854509396 /nfs/dbraw/zinc/50/93/96/854509396.db2.gz QOFHQSIYKBLARI-ZIAGYGMSSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072983289 854509404 /nfs/dbraw/zinc/50/94/04/854509404.db2.gz QOFHQSIYKBLARI-ZIAGYGMSSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073553871 854592122 /nfs/dbraw/zinc/59/21/22/854592122.db2.gz AXBLZVBKOXZOAE-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073553871 854592129 /nfs/dbraw/zinc/59/21/29/854592129.db2.gz AXBLZVBKOXZOAE-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073553871 854592137 /nfs/dbraw/zinc/59/21/37/854592137.db2.gz AXBLZVBKOXZOAE-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098399099 854863040 /nfs/dbraw/zinc/86/30/40/854863040.db2.gz YAYQKZXGIJAJRI-SYQHCUMBSA-N 2 1 261.369 0.293 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001098399099 854863044 /nfs/dbraw/zinc/86/30/44/854863044.db2.gz YAYQKZXGIJAJRI-SYQHCUMBSA-N 2 1 261.369 0.293 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001098399099 854863048 /nfs/dbraw/zinc/86/30/48/854863048.db2.gz YAYQKZXGIJAJRI-SYQHCUMBSA-N 2 1 261.369 0.293 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001098399099 854863051 /nfs/dbraw/zinc/86/30/51/854863051.db2.gz YAYQKZXGIJAJRI-SYQHCUMBSA-N 2 1 261.369 0.293 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899991 855023816 /nfs/dbraw/zinc/02/38/16/855023816.db2.gz ZOEYTBQCBJZBOP-UONOGXRCSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899991 855023822 /nfs/dbraw/zinc/02/38/22/855023822.db2.gz ZOEYTBQCBJZBOP-UONOGXRCSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899991 855023825 /nfs/dbraw/zinc/02/38/25/855023825.db2.gz ZOEYTBQCBJZBOP-UONOGXRCSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971568 855055864 /nfs/dbraw/zinc/05/58/64/855055864.db2.gz JWQONOCUDBQXBD-KGLIPLIRSA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986482 855060620 /nfs/dbraw/zinc/06/06/20/855060620.db2.gz LLFZINHRPZNNCE-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100083243 855096967 /nfs/dbraw/zinc/09/69/67/855096967.db2.gz PAWFERNQUGOIKD-LSDHHAIUSA-N 2 1 295.427 0.293 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100083243 855096973 /nfs/dbraw/zinc/09/69/73/855096973.db2.gz PAWFERNQUGOIKD-LSDHHAIUSA-N 2 1 295.427 0.293 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100083243 855096979 /nfs/dbraw/zinc/09/69/79/855096979.db2.gz PAWFERNQUGOIKD-LSDHHAIUSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156007 855417060 /nfs/dbraw/zinc/41/70/60/855417060.db2.gz IIKFAZXORFPHQX-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156007 855417066 /nfs/dbraw/zinc/41/70/66/855417066.db2.gz IIKFAZXORFPHQX-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320675 855427797 /nfs/dbraw/zinc/42/77/97/855427797.db2.gz NSKTYWFFJPQLBC-HUUCEWRRSA-N 2 1 297.443 0.825 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115146344 855645587 /nfs/dbraw/zinc/64/55/87/855645587.db2.gz ZCCNNVAVMVCILI-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCOCC[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC001325511721 913443984 /nfs/dbraw/zinc/44/39/84/913443984.db2.gz GGZMXVQYBGAZJQ-UHFFFAOYSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCOCC[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC001325511721 913443996 /nfs/dbraw/zinc/44/39/96/913443996.db2.gz GGZMXVQYBGAZJQ-UHFFFAOYSA-N 2 1 281.400 0.169 20 30 CCEDMP Cc1cc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc(C)[nH+]1 ZINC001325630090 913499178 /nfs/dbraw/zinc/49/91/78/913499178.db2.gz YXFAZIWEPWPOTR-ZYHUDNBSSA-N 2 1 259.313 0.353 20 30 CCEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC#CCOC)CC[N@H+]1C ZINC001480866118 891432756 /nfs/dbraw/zinc/43/27/56/891432756.db2.gz UBRZJWIDERPBLD-LSDHHAIUSA-N 2 1 295.427 0.415 20 30 CCEDMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CC#CCOC)CC[NH+]1C ZINC001480866118 891432761 /nfs/dbraw/zinc/43/27/61/891432761.db2.gz UBRZJWIDERPBLD-LSDHHAIUSA-N 2 1 295.427 0.415 20 30 CCEDMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CC#CCOC)CC[NH+]1C ZINC001480866118 891432766 /nfs/dbraw/zinc/43/27/66/891432766.db2.gz UBRZJWIDERPBLD-LSDHHAIUSA-N 2 1 295.427 0.415 20 30 CCEDMP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283759391 892364283 /nfs/dbraw/zinc/36/42/83/892364283.db2.gz GXSQONVANXHSIQ-HZSPNIEDSA-N 2 1 283.416 0.360 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001481461988 892699182 /nfs/dbraw/zinc/69/91/82/892699182.db2.gz MULAMQZFRCVTCF-CQSZACIVSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001481461988 892699190 /nfs/dbraw/zinc/69/91/90/892699190.db2.gz MULAMQZFRCVTCF-CQSZACIVSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001481461988 892699195 /nfs/dbraw/zinc/69/91/95/892699195.db2.gz MULAMQZFRCVTCF-CQSZACIVSA-N 2 1 265.401 0.788 20 30 CCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481530697 892775864 /nfs/dbraw/zinc/77/58/64/892775864.db2.gz OHLOVRPQVXEJCY-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481530697 892775852 /nfs/dbraw/zinc/77/58/52/892775852.db2.gz OHLOVRPQVXEJCY-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001481530697 892775878 /nfs/dbraw/zinc/77/58/78/892775878.db2.gz OHLOVRPQVXEJCY-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481530697 892775884 /nfs/dbraw/zinc/77/58/84/892775884.db2.gz OHLOVRPQVXEJCY-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001481816073 893182647 /nfs/dbraw/zinc/18/26/47/893182647.db2.gz JELWVEYGECRPEU-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001284501807 893585531 /nfs/dbraw/zinc/58/55/31/893585531.db2.gz JFDPGRZLBSVZRQ-KGLIPLIRSA-N 2 1 285.432 0.510 20 30 CCEDMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001326224168 913833270 /nfs/dbraw/zinc/83/32/70/913833270.db2.gz VQVYTLMZNBDCSW-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001326224168 913833288 /nfs/dbraw/zinc/83/32/88/913833288.db2.gz VQVYTLMZNBDCSW-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001482744696 894561029 /nfs/dbraw/zinc/56/10/29/894561029.db2.gz AKFTXFUADPRSFS-UONOGXRCSA-N 2 1 283.416 0.360 20 30 CCEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001482773824 894592634 /nfs/dbraw/zinc/59/26/34/894592634.db2.gz FUBVGFYDMBHZPL-CABCVRRESA-N 2 1 297.443 0.892 20 30 CCEDMP C#CC[N@@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483400394 895539071 /nfs/dbraw/zinc/53/90/71/895539071.db2.gz HURFBDJHMOTVCM-ZDUSSCGKSA-N 2 1 297.362 0.951 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483400394 895539084 /nfs/dbraw/zinc/53/90/84/895539084.db2.gz HURFBDJHMOTVCM-ZDUSSCGKSA-N 2 1 297.362 0.951 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001483778527 896047094 /nfs/dbraw/zinc/04/70/94/896047094.db2.gz KEHDXWWXZCXBMR-UHFFFAOYSA-N 2 1 295.346 0.753 20 30 CCEDMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001484155492 896210029 /nfs/dbraw/zinc/21/00/29/896210029.db2.gz VMZRBHWJSHXPOJ-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001484155492 896210042 /nfs/dbraw/zinc/21/00/42/896210042.db2.gz VMZRBHWJSHXPOJ-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001484155492 896210055 /nfs/dbraw/zinc/21/00/55/896210055.db2.gz VMZRBHWJSHXPOJ-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001484155492 896210070 /nfs/dbraw/zinc/21/00/70/896210070.db2.gz VMZRBHWJSHXPOJ-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484305771 896334426 /nfs/dbraw/zinc/33/44/26/896334426.db2.gz MZJTVKCLTKPNID-UHFFFAOYSA-N 2 1 293.411 0.211 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484521434 896459157 /nfs/dbraw/zinc/45/91/57/896459157.db2.gz RLVJDWZDICTKCK-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001484765630 896601095 /nfs/dbraw/zinc/60/10/95/896601095.db2.gz LVGQSJIFUXILJA-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[NH2+]CC1(NC(=O)C[N@H+](C)CCC)CCOCC1 ZINC001484871285 896640375 /nfs/dbraw/zinc/64/03/75/896640375.db2.gz WXVVOEDBHSXADG-UHFFFAOYSA-N 2 1 281.400 0.216 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001484903399 896661107 /nfs/dbraw/zinc/66/11/07/896661107.db2.gz AISVPOOIFMQDLU-QWHCGFSZSA-N 2 1 253.390 0.951 20 30 CCEDMP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485471179 897062706 /nfs/dbraw/zinc/06/27/06/897062706.db2.gz DLJPJKFOTFBSEB-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CCN1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001485532481 897113231 /nfs/dbraw/zinc/11/32/31/897113231.db2.gz HJNZZDFZSHIDFT-OLZOCXBDSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001485532481 897113237 /nfs/dbraw/zinc/11/32/37/897113237.db2.gz HJNZZDFZSHIDFT-OLZOCXBDSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001485532481 897113245 /nfs/dbraw/zinc/11/32/45/897113245.db2.gz HJNZZDFZSHIDFT-OLZOCXBDSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001032732056 898025498 /nfs/dbraw/zinc/02/54/98/898025498.db2.gz VNKQRHSLOHBYLE-ILXRZTDVSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032732056 898025511 /nfs/dbraw/zinc/02/55/11/898025511.db2.gz VNKQRHSLOHBYLE-ILXRZTDVSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032732056 898025520 /nfs/dbraw/zinc/02/55/20/898025520.db2.gz VNKQRHSLOHBYLE-ILXRZTDVSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001486217483 898716650 /nfs/dbraw/zinc/71/66/50/898716650.db2.gz YMSYJDYORGUOJC-CABCVRRESA-N 2 1 293.411 0.216 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001486356630 898817304 /nfs/dbraw/zinc/81/73/04/898817304.db2.gz PFOYQGDZUTVHEL-UONOGXRCSA-N 2 1 283.416 0.265 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486356630 898817325 /nfs/dbraw/zinc/81/73/25/898817325.db2.gz PFOYQGDZUTVHEL-UONOGXRCSA-N 2 1 283.416 0.265 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486356630 898817330 /nfs/dbraw/zinc/81/73/30/898817330.db2.gz PFOYQGDZUTVHEL-UONOGXRCSA-N 2 1 283.416 0.265 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001490828516 902037398 /nfs/dbraw/zinc/03/73/98/902037398.db2.gz AZPVJHRZNRROQQ-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001491272595 903483192 /nfs/dbraw/zinc/48/31/92/903483192.db2.gz KUPNHRDWLKFIDY-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001330613524 903898403 /nfs/dbraw/zinc/89/84/03/903898403.db2.gz NSDHLTVSKUKLHJ-MGPQQGTHSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001281750860 904342964 /nfs/dbraw/zinc/34/29/64/904342964.db2.gz GLGNAQJETXXZOO-RYUDHWBXSA-N 2 1 262.357 0.706 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#CCOC ZINC001282215200 904434187 /nfs/dbraw/zinc/43/41/87/904434187.db2.gz QQQGLAYPFYEJKI-KBPBESRZSA-N 2 1 283.416 0.461 20 30 CCEDMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001282401882 904470120 /nfs/dbraw/zinc/47/01/20/904470120.db2.gz KKQWZWBSZLGSEH-KGLIPLIRSA-N 2 1 261.369 0.154 20 30 CCEDMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001282401882 904470129 /nfs/dbraw/zinc/47/01/29/904470129.db2.gz KKQWZWBSZLGSEH-KGLIPLIRSA-N 2 1 261.369 0.154 20 30 CCEDMP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001282401882 904470136 /nfs/dbraw/zinc/47/01/36/904470136.db2.gz KKQWZWBSZLGSEH-KGLIPLIRSA-N 2 1 261.369 0.154 20 30 CCEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001282401882 904470145 /nfs/dbraw/zinc/47/01/45/904470145.db2.gz KKQWZWBSZLGSEH-KGLIPLIRSA-N 2 1 261.369 0.154 20 30 CCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001282493161 904491920 /nfs/dbraw/zinc/49/19/20/904491920.db2.gz AUIUEDWISMSQLZ-LSDHHAIUSA-N 2 1 295.427 0.415 20 30 CCEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001282780816 904543532 /nfs/dbraw/zinc/54/35/32/904543532.db2.gz GDUQEFIZUUWZOQ-MRXNPFEDSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001282780816 904543542 /nfs/dbraw/zinc/54/35/42/904543542.db2.gz GDUQEFIZUUWZOQ-MRXNPFEDSA-N 2 1 295.427 0.818 20 30 CCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001283408677 904840046 /nfs/dbraw/zinc/84/00/46/904840046.db2.gz UGVQLJHHHLQZRJ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283408677 904840059 /nfs/dbraw/zinc/84/00/59/904840059.db2.gz UGVQLJHHHLQZRJ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001283408677 904840080 /nfs/dbraw/zinc/84/00/80/904840080.db2.gz UGVQLJHHHLQZRJ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001283492175 904873367 /nfs/dbraw/zinc/87/33/67/904873367.db2.gz HHKUTMVMEYHVJD-ZIAGYGMSSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001283492175 904873379 /nfs/dbraw/zinc/87/33/79/904873379.db2.gz HHKUTMVMEYHVJD-ZIAGYGMSSA-N 2 1 281.400 0.330 20 30 CCEDMP C#CCN1CCC[C@H](NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC001337016099 921154055 /nfs/dbraw/zinc/15/40/55/921154055.db2.gz LTAJNSUVKRHXMQ-ILXRZTDVSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)C1 ZINC001337016099 921154057 /nfs/dbraw/zinc/15/40/57/921154057.db2.gz LTAJNSUVKRHXMQ-ILXRZTDVSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC001337016099 921154061 /nfs/dbraw/zinc/15/40/61/921154061.db2.gz LTAJNSUVKRHXMQ-ILXRZTDVSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)C1 ZINC001337016099 921154066 /nfs/dbraw/zinc/15/40/66/921154066.db2.gz LTAJNSUVKRHXMQ-ILXRZTDVSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)C1 ZINC001337016099 921154068 /nfs/dbraw/zinc/15/40/68/921154068.db2.gz LTAJNSUVKRHXMQ-ILXRZTDVSA-N 2 1 290.411 0.430 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001491686470 907503875 /nfs/dbraw/zinc/50/38/75/907503875.db2.gz VWEDXEZEQCUYMG-RYUDHWBXSA-N 2 1 289.807 0.554 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001491686470 907503880 /nfs/dbraw/zinc/50/38/80/907503880.db2.gz VWEDXEZEQCUYMG-RYUDHWBXSA-N 2 1 289.807 0.554 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001491809730 907611512 /nfs/dbraw/zinc/61/15/12/907611512.db2.gz ZJPXRLMLQOMTSQ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317344156 908166073 /nfs/dbraw/zinc/16/60/73/908166073.db2.gz QAUHXGLPNRNNQX-ZIAGYGMSSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317536349 908635067 /nfs/dbraw/zinc/63/50/67/908635067.db2.gz YJFZBLKBODZZNY-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001316787852 908774712 /nfs/dbraw/zinc/77/47/12/908774712.db2.gz VVDOEVPOAALXEL-HZSPNIEDSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@H+](CC)CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001316907733 908835264 /nfs/dbraw/zinc/83/52/64/908835264.db2.gz QWHADSURVDDFPR-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317414138 909185447 /nfs/dbraw/zinc/18/54/47/909185447.db2.gz MDUPSGKWEMJQCI-CHWSQXEVSA-N 2 1 251.374 0.446 20 30 CCEDMP CC#CC[NH2+]CCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001317645974 909442188 /nfs/dbraw/zinc/44/21/88/909442188.db2.gz QNOYLCSUOGALSS-UHFFFAOYSA-N 2 1 297.362 0.952 20 30 CCEDMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001318071544 909608057 /nfs/dbraw/zinc/60/80/57/909608057.db2.gz PLLKXWLDFCBGAH-CQSZACIVSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@@H](CC)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001318527857 909804548 /nfs/dbraw/zinc/80/45/48/909804548.db2.gz GCXCZQNYMVLXHQ-LBPRGKRZSA-N 2 1 251.374 0.588 20 30 CCEDMP COCC#CC[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001320041149 910428647 /nfs/dbraw/zinc/42/86/47/910428647.db2.gz CCWFVCYJBWFAGD-HNNXBMFYSA-N 2 1 295.427 0.368 20 30 CCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001320041149 910428659 /nfs/dbraw/zinc/42/86/59/910428659.db2.gz CCWFVCYJBWFAGD-HNNXBMFYSA-N 2 1 295.427 0.368 20 30 CCEDMP COCC#CC[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320041149 910428667 /nfs/dbraw/zinc/42/86/67/910428667.db2.gz CCWFVCYJBWFAGD-HNNXBMFYSA-N 2 1 295.427 0.368 20 30 CCEDMP COCC#CC[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001320041149 910428678 /nfs/dbraw/zinc/42/86/78/910428678.db2.gz CCWFVCYJBWFAGD-HNNXBMFYSA-N 2 1 295.427 0.368 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320216433 910529915 /nfs/dbraw/zinc/52/99/15/910529915.db2.gz KKQYVDIGXSMKNO-KBPBESRZSA-N 2 1 283.416 0.502 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320274629 910570537 /nfs/dbraw/zinc/57/05/37/910570537.db2.gz QMESKYMZWBDHGQ-ZIAGYGMSSA-N 2 1 283.416 0.361 20 30 CCEDMP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001321418919 911293115 /nfs/dbraw/zinc/29/31/15/911293115.db2.gz LZMGUEPLNAXDEX-PSKZRQQASA-N 2 1 263.385 0.756 20 30 CCEDMP N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000600739847 362051865 /nfs/dbraw/zinc/05/18/65/362051865.db2.gz UREZIWSISLUGSH-ZIAGYGMSSA-N 2 1 281.400 0.478 20 30 CCEDMP C[C@H]([NH2+]CC(=O)NCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693699 351454780 /nfs/dbraw/zinc/45/47/80/351454780.db2.gz VMZDJRFDGUISNI-STQMWFEESA-N 2 1 278.400 0.869 20 30 CCEDMP C[C@H]([NH2+]CC(=O)NCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693699 351454785 /nfs/dbraw/zinc/45/47/85/351454785.db2.gz VMZDJRFDGUISNI-STQMWFEESA-N 2 1 278.400 0.869 20 30 CCEDMP C[C@@H](C[NH2+]Cc1nc(C#N)cs1)CN1CC[NH+](C)CC1 ZINC000352832663 356092043 /nfs/dbraw/zinc/09/20/43/356092043.db2.gz FULFMKSUBXYPII-LBPRGKRZSA-N 2 1 293.440 0.988 20 30 CCEDMP N#Cc1ccc(N2CC[C@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)cc1 ZINC000609144230 363474374 /nfs/dbraw/zinc/47/43/74/363474374.db2.gz CGMUEDCJYBIZOF-LZWOXQAQSA-N 2 1 296.374 0.815 20 30 CCEDMP N#Cc1ccc(N2CC[C@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)cc1 ZINC000609144230 363474377 /nfs/dbraw/zinc/47/43/77/363474377.db2.gz CGMUEDCJYBIZOF-LZWOXQAQSA-N 2 1 296.374 0.815 20 30 CCEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000572149119 358927896 /nfs/dbraw/zinc/92/78/96/358927896.db2.gz VHXNNXJPLHGKPH-JKSUJKDBSA-N 2 1 296.459 0.903 20 30 CCEDMP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000594439665 360308721 /nfs/dbraw/zinc/30/87/21/360308721.db2.gz YKADELNMPGKJQY-DGCLKSJQSA-N 2 1 264.373 0.751 20 30 CCEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]2C1 ZINC000594443587 360311590 /nfs/dbraw/zinc/31/15/90/360311590.db2.gz RWSQDSKTKUWHJD-MGPQQGTHSA-N 2 1 278.400 0.950 20 30 CCEDMP C[C@H](CC#N)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597942790 361286686 /nfs/dbraw/zinc/28/66/86/361286686.db2.gz OZTKPUZJCDLQHJ-OLZOCXBDSA-N 2 1 268.405 0.924 20 30 CCEDMP C[C@H](CC#N)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597942790 361286687 /nfs/dbraw/zinc/28/66/87/361286687.db2.gz OZTKPUZJCDLQHJ-OLZOCXBDSA-N 2 1 268.405 0.924 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629593211 369732208 /nfs/dbraw/zinc/73/22/08/369732208.db2.gz IPNQRJUPOGXEAI-YUELXQCFSA-N 2 1 263.385 0.705 20 30 CCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629593211 369732214 /nfs/dbraw/zinc/73/22/14/369732214.db2.gz IPNQRJUPOGXEAI-YUELXQCFSA-N 2 1 263.385 0.705 20 30 CCEDMP C[C@H]1C[N@@H+](CC#CC[NH+]2C[C@H](CO)[C@H](C)C2)C[C@@H]1CO ZINC000342133590 389197025 /nfs/dbraw/zinc/19/70/25/389197025.db2.gz RGIZQDGPRHVBPC-QKPAOTATSA-N 2 1 280.412 0.110 20 30 CCEDMP N#CCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000330636108 389248353 /nfs/dbraw/zinc/24/83/53/389248353.db2.gz BGHHBIPEKGQHRZ-UHFFFAOYSA-N 2 1 267.373 0.449 20 30 CCEDMP CN1CC[NH+]=C1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000262471859 389287419 /nfs/dbraw/zinc/28/74/19/389287419.db2.gz BGAZFLQVJDGXCD-OAHLLOKOSA-N 2 1 288.395 0.644 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000153556312 389303551 /nfs/dbraw/zinc/30/35/51/389303551.db2.gz ZYPUDXCXEVOMPR-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C[NH+]=C(NCCC[NH+]1CCOCC1)NCc1ccco1 ZINC000264037324 389303927 /nfs/dbraw/zinc/30/39/27/389303927.db2.gz HGDCYTGCTZTKGA-UHFFFAOYSA-N 2 1 280.372 0.667 20 30 CCEDMP CN(C)C(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264089783 389305943 /nfs/dbraw/zinc/30/59/43/389305943.db2.gz KNQZNRDZIFGGBE-AWEZNQCLSA-N 2 1 276.384 0.282 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1nccs1 ZINC000170909253 389467111 /nfs/dbraw/zinc/46/71/11/389467111.db2.gz GCJGLIUJVVEYPP-UHFFFAOYSA-N 2 1 297.428 0.312 20 30 CCEDMP C#CCN(CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000271156638 389438798 /nfs/dbraw/zinc/43/87/98/389438798.db2.gz VZFQTUDTARMJSA-UHFFFAOYSA-N 2 1 273.384 0.684 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)C[C@H]1CCOC1)C[C@H]1CCOC1 ZINC000351473739 389585127 /nfs/dbraw/zinc/58/51/27/389585127.db2.gz WKIBELLGFZYQSD-HZPDHXFCSA-N 2 1 280.412 0.926 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060139 389872774 /nfs/dbraw/zinc/87/27/74/389872774.db2.gz OFIPKUFDPXOSAA-VXGBXAGGSA-N 2 1 282.388 0.448 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333157 389984511 /nfs/dbraw/zinc/98/45/11/389984511.db2.gz FDCMFLNQZMPVHJ-CHWSQXEVSA-N 2 1 251.374 0.610 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652361102 412038057 /nfs/dbraw/zinc/03/80/57/412038057.db2.gz YKGIBQLMGCBCCF-MCIONIFRSA-N 2 1 281.400 0.649 20 30 CCEDMP C=CC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C)COC ZINC000662299145 414708171 /nfs/dbraw/zinc/70/81/71/414708171.db2.gz LDXQBECODRDXLM-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)CC2(C)C)CC1 ZINC000490874295 261234149 /nfs/dbraw/zinc/23/41/49/261234149.db2.gz LZQVNDZPSVWWNJ-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C[C@@H]1[C@H](CO)CC[NH+]1CC#CC[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000342115664 263389740 /nfs/dbraw/zinc/38/97/40/263389740.db2.gz ASNXJOASJRZXRG-WCVJEAGWSA-N 2 1 280.412 0.395 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362800849 267047462 /nfs/dbraw/zinc/04/74/62/267047462.db2.gz JFUJUGKSTSYQBN-GXTWGEPZSA-N 2 1 265.401 0.951 20 30 CCEDMP CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000284909709 328246800 /nfs/dbraw/zinc/24/68/00/328246800.db2.gz AZTQNXFAUJLMGJ-WCQYABFASA-N 2 1 278.404 0.727 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000262202743 330003949 /nfs/dbraw/zinc/00/39/49/330003949.db2.gz IIMVKYLWOPFSQP-YPMHNXCESA-N 2 1 267.373 0.130 20 30 CCEDMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000262286129 330004345 /nfs/dbraw/zinc/00/43/45/330004345.db2.gz KEJBOVMAEVDMAD-MRXNPFEDSA-N 2 1 288.395 0.969 20 30 CCEDMP C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262338646 330006667 /nfs/dbraw/zinc/00/66/67/330006667.db2.gz CFSWXGXGKJXEFL-BXUZGUMPSA-N 2 1 298.456 0.256 20 30 CCEDMP C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262338646 330006669 /nfs/dbraw/zinc/00/66/69/330006669.db2.gz CFSWXGXGKJXEFL-BXUZGUMPSA-N 2 1 298.456 0.256 20 30 CCEDMP C[C@H]1C[NH+]=C(NCC2([NH+]3CCCCC3)CCN(C)CC2)N1 ZINC000262669181 330025767 /nfs/dbraw/zinc/02/57/67/330025767.db2.gz QFEXMICNFNGJDH-AWEZNQCLSA-N 2 1 293.459 0.874 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000424158038 330305215 /nfs/dbraw/zinc/30/52/15/330305215.db2.gz QFCJNNZMYMYOPA-OLZOCXBDSA-N 2 1 264.373 0.704 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000424158038 330305216 /nfs/dbraw/zinc/30/52/16/330305216.db2.gz QFCJNNZMYMYOPA-OLZOCXBDSA-N 2 1 264.373 0.704 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000491164608 332159378 /nfs/dbraw/zinc/15/93/78/332159378.db2.gz CTBILHFKHZRHBS-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000491473486 332217615 /nfs/dbraw/zinc/21/76/15/332217615.db2.gz DUTNKRHDWIRDLP-HNNXBMFYSA-N 2 1 296.415 0.009 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000491535462 332231303 /nfs/dbraw/zinc/23/13/03/332231303.db2.gz BXGKJVXWKSSMRI-HNNXBMFYSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000491637698 332258383 /nfs/dbraw/zinc/25/83/83/332258383.db2.gz WRAWIOBUJOIQKX-CQSZACIVSA-N 2 1 282.432 0.971 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000491646842 332263665 /nfs/dbraw/zinc/26/36/65/332263665.db2.gz VHQCJWPIALVDJC-RRFJBIMHSA-N 2 1 292.427 0.710 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCSCC1 ZINC000491665965 332274361 /nfs/dbraw/zinc/27/43/61/332274361.db2.gz PWFRGKAWAPJBCU-UHFFFAOYSA-N 2 1 298.456 0.290 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCSCC1 ZINC000491665965 332274362 /nfs/dbraw/zinc/27/43/62/332274362.db2.gz PWFRGKAWAPJBCU-UHFFFAOYSA-N 2 1 298.456 0.290 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252846881 334396611 /nfs/dbraw/zinc/39/66/11/334396611.db2.gz FTLFIQYNOSALSY-SDDRHHMPSA-N 2 1 280.372 0.057 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252846881 334396613 /nfs/dbraw/zinc/39/66/13/334396613.db2.gz FTLFIQYNOSALSY-SDDRHHMPSA-N 2 1 280.372 0.057 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000730096904 581645789 /nfs/dbraw/zinc/64/57/89/581645789.db2.gz ZOIZTZJHSNEILX-HNNXBMFYSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000730096904 581645791 /nfs/dbraw/zinc/64/57/91/581645791.db2.gz ZOIZTZJHSNEILX-HNNXBMFYSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000730282688 581690773 /nfs/dbraw/zinc/69/07/73/581690773.db2.gz PEBNGKPOGYYXJC-JSGCOSHPSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000730282688 581690774 /nfs/dbraw/zinc/69/07/74/581690774.db2.gz PEBNGKPOGYYXJC-JSGCOSHPSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000730282688 581690775 /nfs/dbraw/zinc/69/07/75/581690775.db2.gz PEBNGKPOGYYXJC-JSGCOSHPSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000730282688 581690776 /nfs/dbraw/zinc/69/07/76/581690776.db2.gz PEBNGKPOGYYXJC-JSGCOSHPSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCOCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000851872969 612981661 /nfs/dbraw/zinc/98/16/61/612981661.db2.gz SFCHJASMRAVBJU-UHFFFAOYSA-N 2 1 267.417 0.594 20 30 CCEDMP C#CCO[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346473 612997020 /nfs/dbraw/zinc/99/70/20/612997020.db2.gz DJWJYSNVBSNDBB-KBPBESRZSA-N 2 1 283.416 0.413 20 30 CCEDMP C#CCO[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346473 612997021 /nfs/dbraw/zinc/99/70/21/612997021.db2.gz DJWJYSNVBSNDBB-KBPBESRZSA-N 2 1 283.416 0.413 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000872209648 613078529 /nfs/dbraw/zinc/07/85/29/613078529.db2.gz YMBYCFOKJOFVOZ-GJZGRUSLSA-N 2 1 268.401 0.443 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000872209648 613078531 /nfs/dbraw/zinc/07/85/31/613078531.db2.gz YMBYCFOKJOFVOZ-GJZGRUSLSA-N 2 1 268.401 0.443 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977602531 613032181 /nfs/dbraw/zinc/03/21/81/613032181.db2.gz RQXGECIDLYQIDE-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977602531 613032182 /nfs/dbraw/zinc/03/21/82/613032182.db2.gz RQXGECIDLYQIDE-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977602531 613032184 /nfs/dbraw/zinc/03/21/84/613032184.db2.gz RQXGECIDLYQIDE-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCN(C(=O)NC[C@H]1CCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000914393885 613067251 /nfs/dbraw/zinc/06/72/51/613067251.db2.gz RHEKPBUDLPLJLM-OAHLLOKOSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000894863743 613079561 /nfs/dbraw/zinc/07/95/61/613079561.db2.gz PEQVZZQUJJIZPS-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000894863743 613079563 /nfs/dbraw/zinc/07/95/63/613079563.db2.gz PEQVZZQUJJIZPS-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000972330414 613080994 /nfs/dbraw/zinc/08/09/94/613080994.db2.gz GABLHANPAWIDIS-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000972330414 613080995 /nfs/dbraw/zinc/08/09/95/613080995.db2.gz GABLHANPAWIDIS-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000972330414 613080996 /nfs/dbraw/zinc/08/09/96/613080996.db2.gz GABLHANPAWIDIS-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000971566844 613083912 /nfs/dbraw/zinc/08/39/12/613083912.db2.gz KHKRGCGWWWMPIU-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000971566844 613083914 /nfs/dbraw/zinc/08/39/14/613083914.db2.gz KHKRGCGWWWMPIU-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000971566844 613083915 /nfs/dbraw/zinc/08/39/15/613083915.db2.gz KHKRGCGWWWMPIU-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000980412764 613091510 /nfs/dbraw/zinc/09/15/10/613091510.db2.gz NQSNNYXYZCBHOT-GJZGRUSLSA-N 2 1 293.411 0.121 20 30 CCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000982012730 613143495 /nfs/dbraw/zinc/14/34/95/613143495.db2.gz FXHJVWFOTIXYNO-CABCVRRESA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982012730 613143496 /nfs/dbraw/zinc/14/34/96/613143496.db2.gz FXHJVWFOTIXYNO-CABCVRRESA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982012730 613143498 /nfs/dbraw/zinc/14/34/98/613143498.db2.gz FXHJVWFOTIXYNO-CABCVRRESA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000981438205 613153365 /nfs/dbraw/zinc/15/33/65/613153365.db2.gz LPWDMTMKCDRENB-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000981438205 613153366 /nfs/dbraw/zinc/15/33/66/613153366.db2.gz LPWDMTMKCDRENB-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CCC[NH+](C)C)C1 ZINC000890367661 613183044 /nfs/dbraw/zinc/18/30/44/613183044.db2.gz QZCDTIFWUSNBFE-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCC[NH+](C)C)C1 ZINC000890367661 613183046 /nfs/dbraw/zinc/18/30/46/613183046.db2.gz QZCDTIFWUSNBFE-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[C@@H](C)[NH+](C)C)C1 ZINC000890364409 613185293 /nfs/dbraw/zinc/18/52/93/613185293.db2.gz ZOGVLPVHTKIZNM-KGLIPLIRSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@@H](C)[NH+](C)C)C1 ZINC000890364409 613185295 /nfs/dbraw/zinc/18/52/95/613185295.db2.gz ZOGVLPVHTKIZNM-KGLIPLIRSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=C)C)C1 ZINC000968955015 613196815 /nfs/dbraw/zinc/19/68/15/613196815.db2.gz ZPUCVPBVNJAHQJ-CABCVRRESA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=C)C)C1 ZINC000968955015 613196817 /nfs/dbraw/zinc/19/68/17/613196817.db2.gz ZPUCVPBVNJAHQJ-CABCVRRESA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000968954192 613196832 /nfs/dbraw/zinc/19/68/32/613196832.db2.gz CFZDPHHZUHVXMI-OLZOCXBDSA-N 2 1 267.348 0.244 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000968954192 613196835 /nfs/dbraw/zinc/19/68/35/613196835.db2.gz CFZDPHHZUHVXMI-OLZOCXBDSA-N 2 1 267.348 0.244 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000816951218 613197537 /nfs/dbraw/zinc/19/75/37/613197537.db2.gz KKGOLGIKTWQXAZ-MELADBBJSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000816951218 613197539 /nfs/dbraw/zinc/19/75/39/613197539.db2.gz KKGOLGIKTWQXAZ-MELADBBJSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000816951218 613197541 /nfs/dbraw/zinc/19/75/41/613197541.db2.gz KKGOLGIKTWQXAZ-MELADBBJSA-N 2 1 261.369 0.247 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000816951218 613197542 /nfs/dbraw/zinc/19/75/42/613197542.db2.gz KKGOLGIKTWQXAZ-MELADBBJSA-N 2 1 261.369 0.247 20 30 CCEDMP CNC(NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1)=[NH+]C ZINC000864358435 613218964 /nfs/dbraw/zinc/21/89/64/613218964.db2.gz ZXUIYVVBHPQTQP-HNNXBMFYSA-N 2 1 290.411 0.991 20 30 CCEDMP CNC(NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1)=[NH+]C ZINC000864358435 613218967 /nfs/dbraw/zinc/21/89/67/613218967.db2.gz ZXUIYVVBHPQTQP-HNNXBMFYSA-N 2 1 290.411 0.991 20 30 CCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000958474245 613279863 /nfs/dbraw/zinc/27/98/63/613279863.db2.gz IJJJNYKCAUXGQT-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000958474245 613279865 /nfs/dbraw/zinc/27/98/65/613279865.db2.gz IJJJNYKCAUXGQT-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958474245 613279867 /nfs/dbraw/zinc/27/98/67/613279867.db2.gz IJJJNYKCAUXGQT-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958474245 613279868 /nfs/dbraw/zinc/27/98/68/613279868.db2.gz IJJJNYKCAUXGQT-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000962562496 613280746 /nfs/dbraw/zinc/28/07/46/613280746.db2.gz ZSPLIBLZQWXHQC-BYNSBNAKSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962562496 613280748 /nfs/dbraw/zinc/28/07/48/613280748.db2.gz ZSPLIBLZQWXHQC-BYNSBNAKSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962562496 613280749 /nfs/dbraw/zinc/28/07/49/613280749.db2.gz ZSPLIBLZQWXHQC-BYNSBNAKSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900604146 613304641 /nfs/dbraw/zinc/30/46/41/613304641.db2.gz BBHLOLIDQNAUIT-GOEBONIOSA-N 2 1 295.427 0.598 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000959872257 613313009 /nfs/dbraw/zinc/31/30/09/613313009.db2.gz MWBKQHBTRDIORL-FICVDOATSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000961773704 613313708 /nfs/dbraw/zinc/31/37/08/613313708.db2.gz PVBFPIVDDJFVEX-CXTNEJHOSA-N 2 1 261.369 0.150 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC000961773704 613313710 /nfs/dbraw/zinc/31/37/10/613313710.db2.gz PVBFPIVDDJFVEX-CXTNEJHOSA-N 2 1 261.369 0.150 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC000961773704 613313712 /nfs/dbraw/zinc/31/37/12/613313712.db2.gz PVBFPIVDDJFVEX-CXTNEJHOSA-N 2 1 261.369 0.150 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000972992809 613341977 /nfs/dbraw/zinc/34/19/77/613341977.db2.gz UUKMLCRKSFUTJI-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889745212 613364254 /nfs/dbraw/zinc/36/42/54/613364254.db2.gz RQQPHIZAUUJFMC-HUUCEWRRSA-N 2 1 295.427 0.552 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000900781312 613364871 /nfs/dbraw/zinc/36/48/71/613364871.db2.gz BDPOFEQILMFAKO-CYBMUJFWSA-N 2 1 283.416 0.579 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861987192 613365911 /nfs/dbraw/zinc/36/59/11/613365911.db2.gz ZTMKPFBHKGROEU-UHFFFAOYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827277928 613366290 /nfs/dbraw/zinc/36/62/90/613366290.db2.gz RHMVFGNBXCWOOD-STQMWFEESA-N 2 1 251.374 0.657 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848294847 613366582 /nfs/dbraw/zinc/36/65/82/613366582.db2.gz HWKIGAGVMKFSNS-MELADBBJSA-N 2 1 283.416 0.718 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848294847 613366583 /nfs/dbraw/zinc/36/65/83/613366583.db2.gz HWKIGAGVMKFSNS-MELADBBJSA-N 2 1 283.416 0.718 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](CCOC)C1 ZINC000854981706 613366803 /nfs/dbraw/zinc/36/68/03/613366803.db2.gz ZFKSUAPAVLDOLC-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000961959577 613633320 /nfs/dbraw/zinc/63/33/20/613633320.db2.gz VWSLBUCBIOWXIG-QLPKVWCKSA-N 2 1 289.423 0.788 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1=O ZINC000903499727 613739626 /nfs/dbraw/zinc/73/96/26/613739626.db2.gz MRMXIJJAWYDXEU-JHJVBQTASA-N 2 1 251.374 0.690 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432899 613851188 /nfs/dbraw/zinc/85/11/88/613851188.db2.gz JGDDLIQMEUZRNW-FRRDWIJNSA-N 2 1 294.399 0.270 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432899 613851190 /nfs/dbraw/zinc/85/11/90/613851190.db2.gz JGDDLIQMEUZRNW-FRRDWIJNSA-N 2 1 294.399 0.270 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432899 613851192 /nfs/dbraw/zinc/85/11/92/613851192.db2.gz JGDDLIQMEUZRNW-FRRDWIJNSA-N 2 1 294.399 0.270 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432899 613851193 /nfs/dbraw/zinc/85/11/93/613851193.db2.gz JGDDLIQMEUZRNW-FRRDWIJNSA-N 2 1 294.399 0.270 20 30 CCEDMP CC(C)(CC#N)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849040199 614075570 /nfs/dbraw/zinc/07/55/70/614075570.db2.gz DFNZFDVCRMLQKU-UHFFFAOYSA-N 2 1 281.404 0.763 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+](C)C(C)C ZINC000104191708 615144430 /nfs/dbraw/zinc/14/44/30/615144430.db2.gz RFSMGOLUFSRQFS-ZDUSSCGKSA-N 3 1 269.437 0.715 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000104191708 615144432 /nfs/dbraw/zinc/14/44/32/615144432.db2.gz RFSMGOLUFSRQFS-ZDUSSCGKSA-N 3 1 269.437 0.715 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000104191708 615144434 /nfs/dbraw/zinc/14/44/34/615144434.db2.gz RFSMGOLUFSRQFS-ZDUSSCGKSA-N 3 1 269.437 0.715 20 30 CCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN(C)C(C)C ZINC000104191708 615144435 /nfs/dbraw/zinc/14/44/35/615144435.db2.gz RFSMGOLUFSRQFS-ZDUSSCGKSA-N 2 1 269.437 0.715 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN(C)C(C)C ZINC000104191708 615144437 /nfs/dbraw/zinc/14/44/37/615144437.db2.gz RFSMGOLUFSRQFS-ZDUSSCGKSA-N 2 1 269.437 0.715 20 30 CCEDMP CCN(CC)C(=[NH2+])NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000104174669 615159769 /nfs/dbraw/zinc/15/97/69/615159769.db2.gz VQDUIHXTJBYAPV-CQSZACIVSA-N 2 1 283.464 0.917 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000913517858 615859993 /nfs/dbraw/zinc/85/99/93/615859993.db2.gz SHNRQLDCPSSBFT-HNNXBMFYSA-N 2 1 273.380 0.971 20 30 CCEDMP C[N@H+](C[C@H](O)C[NH2+]CCNc1ncccc1C#N)C1CC1 ZINC000818974495 616149416 /nfs/dbraw/zinc/14/94/16/616149416.db2.gz BDZOHBZJOJUBOT-CQSZACIVSA-N 2 1 289.383 0.410 20 30 CCEDMP C[N@@H+](C[C@H](O)C[NH2+]CCNc1ncccc1C#N)C1CC1 ZINC000818974495 616149417 /nfs/dbraw/zinc/14/94/17/616149417.db2.gz BDZOHBZJOJUBOT-CQSZACIVSA-N 2 1 289.383 0.410 20 30 CCEDMP C[N@H+](Cc1cc(C#N)cs1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903827800 616164835 /nfs/dbraw/zinc/16/48/35/616164835.db2.gz XIGYXJJGNLNJBD-DLOVCJGASA-N 2 1 251.355 0.902 20 30 CCEDMP C[N@@H+](Cc1cc(C#N)cs1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903827800 616164837 /nfs/dbraw/zinc/16/48/37/616164837.db2.gz XIGYXJJGNLNJBD-DLOVCJGASA-N 2 1 251.355 0.902 20 30 CCEDMP C[N@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884198337 616195770 /nfs/dbraw/zinc/19/57/70/616195770.db2.gz SJYCVUVELSDZQP-SBEAFCBVSA-N 2 1 276.384 0.336 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001026046131 625325419 /nfs/dbraw/zinc/32/54/19/625325419.db2.gz VYSUIYYJMKBJNI-XPABHHOTSA-N 2 1 277.412 0.807 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026046131 625325421 /nfs/dbraw/zinc/32/54/21/625325421.db2.gz VYSUIYYJMKBJNI-XPABHHOTSA-N 2 1 277.412 0.807 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026046131 625325423 /nfs/dbraw/zinc/32/54/23/625325423.db2.gz VYSUIYYJMKBJNI-XPABHHOTSA-N 2 1 277.412 0.807 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022718883 622696393 /nfs/dbraw/zinc/69/63/93/622696393.db2.gz GAIAJCWICXAIQP-NDBYEHHHSA-N 2 1 251.374 0.607 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022718885 622696722 /nfs/dbraw/zinc/69/67/22/622696722.db2.gz GAIAJCWICXAIQP-WUHRBBMRSA-N 2 1 251.374 0.607 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001022836951 622788818 /nfs/dbraw/zinc/78/88/18/622788818.db2.gz GZTSTCXVFXRTMH-LXTVHRRPSA-N 2 1 275.396 0.873 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001023291109 622985370 /nfs/dbraw/zinc/98/53/70/622985370.db2.gz FASCOFXYHCZUDR-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023291109 622985374 /nfs/dbraw/zinc/98/53/74/622985374.db2.gz FASCOFXYHCZUDR-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023291109 622985383 /nfs/dbraw/zinc/98/53/83/622985383.db2.gz FASCOFXYHCZUDR-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023291109 622985393 /nfs/dbraw/zinc/98/53/93/622985393.db2.gz FASCOFXYHCZUDR-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023291109 622985400 /nfs/dbraw/zinc/98/54/00/622985400.db2.gz FASCOFXYHCZUDR-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NC[C@]1(C)CCCO1 ZINC000261848224 624829156 /nfs/dbraw/zinc/82/91/56/624829156.db2.gz XQOFEZQZFJJSNS-AWEZNQCLSA-N 2 1 279.388 0.926 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001022585028 625048655 /nfs/dbraw/zinc/04/86/55/625048655.db2.gz JLYMXNPARATPFQ-KFWWJZLASA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027650984 630833948 /nfs/dbraw/zinc/83/39/48/630833948.db2.gz HJNUROCCKJJUIB-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027805449 630934250 /nfs/dbraw/zinc/93/42/50/630934250.db2.gz SNHFIZUGFSEYMO-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027805449 630934253 /nfs/dbraw/zinc/93/42/53/630934253.db2.gz SNHFIZUGFSEYMO-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027805449 630934255 /nfs/dbraw/zinc/93/42/55/630934255.db2.gz SNHFIZUGFSEYMO-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027805449 630934258 /nfs/dbraw/zinc/93/42/58/630934258.db2.gz SNHFIZUGFSEYMO-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)Cc1cccn1C ZINC000261944281 631718115 /nfs/dbraw/zinc/71/81/15/631718115.db2.gz FHRVRQBJHBBAJY-ZDUSSCGKSA-N 2 1 277.416 0.984 20 30 CCEDMP C[N@H+]1CCCN(CCNC(=[NH2+])NCC2CCC2)CC1 ZINC000261967554 631736898 /nfs/dbraw/zinc/73/68/98/631736898.db2.gz BUZHRRCLHWGUOM-UHFFFAOYSA-N 2 1 267.421 0.328 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261989442 631744355 /nfs/dbraw/zinc/74/43/55/631744355.db2.gz QXBUNGYXVVNJBF-FPMFFAJLSA-N 2 1 280.416 0.813 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000985796512 632644924 /nfs/dbraw/zinc/64/49/24/632644924.db2.gz ITBVDEIZDHJMEI-HNNXBMFYSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000985796512 632644928 /nfs/dbraw/zinc/64/49/28/632644928.db2.gz ITBVDEIZDHJMEI-HNNXBMFYSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000985796512 632644932 /nfs/dbraw/zinc/64/49/32/632644932.db2.gz ITBVDEIZDHJMEI-HNNXBMFYSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000985796512 632644936 /nfs/dbraw/zinc/64/49/36/632644936.db2.gz ITBVDEIZDHJMEI-HNNXBMFYSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000988962248 633130960 /nfs/dbraw/zinc/13/09/60/633130960.db2.gz RIMQHJDEVBBNRS-QWHCGFSZSA-N 2 1 263.385 0.683 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCCO1 ZINC000261981302 637510403 /nfs/dbraw/zinc/51/04/03/637510403.db2.gz HZQACPYFXAVVSX-QWHCGFSZSA-N 2 1 268.405 0.944 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995605737 638780636 /nfs/dbraw/zinc/78/06/36/638780636.db2.gz ONUDFOGNUFCERR-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995605737 638780639 /nfs/dbraw/zinc/78/06/39/638780639.db2.gz ONUDFOGNUFCERR-KGLIPLIRSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1(C)C ZINC000995923745 638804585 /nfs/dbraw/zinc/80/45/85/638804585.db2.gz NQAIEOUWORFHTE-BZPMIXESSA-N 2 1 286.379 0.973 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014471412 650454967 /nfs/dbraw/zinc/45/49/67/650454967.db2.gz WALAGSKWZXITIK-KGLIPLIRSA-N 2 1 261.369 0.152 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014471412 650454970 /nfs/dbraw/zinc/45/49/70/650454970.db2.gz WALAGSKWZXITIK-KGLIPLIRSA-N 2 1 261.369 0.152 20 30 CCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001000552440 639118240 /nfs/dbraw/zinc/11/82/40/639118240.db2.gz SAFAFIZMUIVWKX-CQSZACIVSA-N 2 1 279.384 0.251 20 30 CCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001000552440 639118241 /nfs/dbraw/zinc/11/82/41/639118241.db2.gz SAFAFIZMUIVWKX-CQSZACIVSA-N 2 1 279.384 0.251 20 30 CCEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000552440 639118246 /nfs/dbraw/zinc/11/82/46/639118246.db2.gz SAFAFIZMUIVWKX-CQSZACIVSA-N 2 1 279.384 0.251 20 30 CCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000552440 639118249 /nfs/dbraw/zinc/11/82/49/639118249.db2.gz SAFAFIZMUIVWKX-CQSZACIVSA-N 2 1 279.384 0.251 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001000688572 639153061 /nfs/dbraw/zinc/15/30/61/639153061.db2.gz KRWRPNXWJQJRAP-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001000800433 639169101 /nfs/dbraw/zinc/16/91/01/639169101.db2.gz LACWHIGGRHOUJZ-HOCLYGCPSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001001237492 639265097 /nfs/dbraw/zinc/26/50/97/639265097.db2.gz HVMCQCFYQJLBIP-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001001277464 639272640 /nfs/dbraw/zinc/27/26/40/639272640.db2.gz DLGXKDRUTSIABL-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001001277464 639272646 /nfs/dbraw/zinc/27/26/46/639272646.db2.gz DLGXKDRUTSIABL-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001001376372 639290656 /nfs/dbraw/zinc/29/06/56/639290656.db2.gz LWWIBUSZFSPCHW-UHFFFAOYSA-N 2 1 287.407 0.854 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001525180 639312963 /nfs/dbraw/zinc/31/29/63/639312963.db2.gz FDMMNAFETLYQDK-UKRRQHHQSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001525180 639312969 /nfs/dbraw/zinc/31/29/69/639312969.db2.gz FDMMNAFETLYQDK-UKRRQHHQSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597518 650587768 /nfs/dbraw/zinc/58/77/68/650587768.db2.gz SZIWMSQZHIGAKZ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001015597518 650587769 /nfs/dbraw/zinc/58/77/69/650587769.db2.gz SZIWMSQZHIGAKZ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001015597518 650587771 /nfs/dbraw/zinc/58/77/71/650587771.db2.gz SZIWMSQZHIGAKZ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001015597518 650587772 /nfs/dbraw/zinc/58/77/72/650587772.db2.gz SZIWMSQZHIGAKZ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001015708696 650613325 /nfs/dbraw/zinc/61/33/25/650613325.db2.gz JTJDZUSTOGCNJF-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015708696 650613326 /nfs/dbraw/zinc/61/33/26/650613326.db2.gz JTJDZUSTOGCNJF-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015708696 650613327 /nfs/dbraw/zinc/61/33/27/650613327.db2.gz JTJDZUSTOGCNJF-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015998880 650672198 /nfs/dbraw/zinc/67/21/98/650672198.db2.gz RFGLFAXFQXJTJO-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015998880 650672199 /nfs/dbraw/zinc/67/21/99/650672199.db2.gz RFGLFAXFQXJTJO-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015998880 650672200 /nfs/dbraw/zinc/67/22/00/650672200.db2.gz RFGLFAXFQXJTJO-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016251533 650706197 /nfs/dbraw/zinc/70/61/97/650706197.db2.gz VPXQOMOGPZVPFY-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016251533 650706199 /nfs/dbraw/zinc/70/61/99/650706199.db2.gz VPXQOMOGPZVPFY-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016251533 650706201 /nfs/dbraw/zinc/70/62/01/650706201.db2.gz VPXQOMOGPZVPFY-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C[C@H]1CCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000831971314 642424166 /nfs/dbraw/zinc/42/41/66/642424166.db2.gz VFJAXYZLGSDJAH-NWDGAFQWSA-N 2 1 252.362 0.608 20 30 CCEDMP C[C@@H]1C[N@H+](Cc2ccccn2)CCC1N=NC1=[NH+]CCN1 ZINC000841658439 642829183 /nfs/dbraw/zinc/82/91/83/642829183.db2.gz ANNUCZAQAPTSJJ-GFCCVEGCSA-N 2 1 286.383 0.828 20 30 CCEDMP C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1N=NC1=[NH+]CCN1 ZINC000841658439 642829185 /nfs/dbraw/zinc/82/91/85/642829185.db2.gz ANNUCZAQAPTSJJ-GFCCVEGCSA-N 2 1 286.383 0.828 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001018266808 650850346 /nfs/dbraw/zinc/85/03/46/650850346.db2.gz RWXDWNBFUNMMRP-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001018266808 650850347 /nfs/dbraw/zinc/85/03/47/650850347.db2.gz RWXDWNBFUNMMRP-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001018266808 650850348 /nfs/dbraw/zinc/85/03/48/650850348.db2.gz RWXDWNBFUNMMRP-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C=CC[C@@H](CO)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849015640 643700515 /nfs/dbraw/zinc/70/05/15/643700515.db2.gz GVQWLQRDDFKGOS-CYBMUJFWSA-N 2 1 284.404 0.007 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001018665522 650894793 /nfs/dbraw/zinc/89/47/93/650894793.db2.gz UFAMGLWCGSESIR-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001018665522 650894796 /nfs/dbraw/zinc/89/47/96/650894796.db2.gz UFAMGLWCGSESIR-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP N#Cc1cccnc1NCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863552262 645106633 /nfs/dbraw/zinc/10/66/33/645106633.db2.gz WUABHDIQPSPRHJ-AWEZNQCLSA-N 2 1 289.383 0.411 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ncccc1F ZINC000130602788 647470733 /nfs/dbraw/zinc/47/07/33/647470733.db2.gz BJSOQZZUCIKOGD-UHFFFAOYSA-N 2 1 295.362 0.347 20 30 CCEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000884202353 647667531 /nfs/dbraw/zinc/66/75/31/647667531.db2.gz WZJVYDHIDQFMEC-BWAOXVRWSA-N 2 1 288.395 0.479 20 30 CCEDMP N#Cc1ccc(NCC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)nc1 ZINC000925892427 648468715 /nfs/dbraw/zinc/46/87/15/648468715.db2.gz ARXARZAYDNAHPC-RDUHTLEXSA-N 2 1 283.379 0.951 20 30 CCEDMP CC[C@H](C)NC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000303379872 649817643 /nfs/dbraw/zinc/81/76/43/649817643.db2.gz QMJFWPDCSIMOGG-STQMWFEESA-N 2 1 269.437 0.573 20 30 CCEDMP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000303408242 649819225 /nfs/dbraw/zinc/81/92/25/649819225.db2.gz TUHHXXNHAVDTTI-JQWIXIFHSA-N 2 1 254.378 0.552 20 30 CCEDMP CC[NH+](CC)CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303695140 649824026 /nfs/dbraw/zinc/82/40/26/649824026.db2.gz DJXIELNDTKTSSM-UHFFFAOYSA-N 3 1 299.463 0.345 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)NC(C)C ZINC000303781939 649825072 /nfs/dbraw/zinc/82/50/72/649825072.db2.gz MSJFUIVMSGZKFV-LBPRGKRZSA-N 2 1 283.420 0.290 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOCCOC ZINC000303784623 649825165 /nfs/dbraw/zinc/82/51/65/649825165.db2.gz PMCOGLIXMATJKM-ZDUSSCGKSA-N 2 1 286.420 0.428 20 30 CCEDMP CC[NH+]1CCN(CCCC[NH+]=C(N(C)C)N(C)C)CC1 ZINC000303888511 649826553 /nfs/dbraw/zinc/82/65/53/649826553.db2.gz LLOPBUVVIQQRNN-UHFFFAOYSA-N 2 1 283.464 0.883 20 30 CCEDMP C=C(C)CNC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303989630 649827779 /nfs/dbraw/zinc/82/77/79/649827779.db2.gz XSNWLJBCCHMMAV-UHFFFAOYSA-N 2 1 267.421 0.494 20 30 CCEDMP C=C(C)CNC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000303989630 649827781 /nfs/dbraw/zinc/82/77/81/649827781.db2.gz XSNWLJBCCHMMAV-UHFFFAOYSA-N 2 1 267.421 0.494 20 30 CCEDMP C=C(C)CNC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000303989630 649827784 /nfs/dbraw/zinc/82/77/84/649827784.db2.gz XSNWLJBCCHMMAV-UHFFFAOYSA-N 2 1 267.421 0.494 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccnc1 ZINC000304764042 649838930 /nfs/dbraw/zinc/83/89/30/649838930.db2.gz XMBIXAQINFYUDE-CYBMUJFWSA-N 2 1 291.399 0.849 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266482741 790774442 /nfs/dbraw/zinc/77/44/42/790774442.db2.gz HUKAHSDDRCROCM-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266482741 790774450 /nfs/dbraw/zinc/77/44/50/790774450.db2.gz HUKAHSDDRCROCM-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266482741 790774457 /nfs/dbraw/zinc/77/44/57/790774457.db2.gz HUKAHSDDRCROCM-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001266480586 790775114 /nfs/dbraw/zinc/77/51/14/790775114.db2.gz UBHJZCHECCQCJU-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001267034289 791465025 /nfs/dbraw/zinc/46/50/25/791465025.db2.gz GQIVYKJFXAJAEY-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001267034289 791465032 /nfs/dbraw/zinc/46/50/32/791465032.db2.gz GQIVYKJFXAJAEY-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001267121543 791563724 /nfs/dbraw/zinc/56/37/24/791563724.db2.gz CAZWUGAUMRDEPN-OLZOCXBDSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@H+](C)C(C)C)CC1 ZINC001121830485 799074803 /nfs/dbraw/zinc/07/48/03/799074803.db2.gz XNBATERSPNWDAY-UHFFFAOYSA-N 2 1 280.416 0.723 20 30 CCEDMP C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001278139984 806715228 /nfs/dbraw/zinc/71/52/28/806715228.db2.gz XGSJVYTWYKWGMX-IHRRRGAJSA-N 2 1 283.416 0.360 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC001122327553 799199856 /nfs/dbraw/zinc/19/98/56/799199856.db2.gz MGGZZULTYNKVSM-UHFFFAOYSA-N 2 1 271.364 0.690 20 30 CCEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001124872452 799641104 /nfs/dbraw/zinc/64/11/04/799641104.db2.gz GHPFTJOYDPVZQW-INIZCTEOSA-N 2 1 285.391 0.838 20 30 CCEDMP Cc1ccc(CC#N)c(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]1 ZINC001155544810 801004136 /nfs/dbraw/zinc/00/41/36/801004136.db2.gz CWNAGYUNPZXHQM-TZMCWYRMSA-N 2 1 258.325 0.999 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156146156 801117439 /nfs/dbraw/zinc/11/74/39/801117439.db2.gz UXDMWBJKVIMKKW-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156146156 801117443 /nfs/dbraw/zinc/11/74/43/801117443.db2.gz UXDMWBJKVIMKKW-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001159925747 801888375 /nfs/dbraw/zinc/88/83/75/801888375.db2.gz TVMMWBJOVYPKOM-ZDUSSCGKSA-N 2 1 274.368 0.880 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@H](C)F ZINC001160209613 801920530 /nfs/dbraw/zinc/92/05/30/801920530.db2.gz SHLKDBMWTYCYEL-KBPBESRZSA-N 2 1 283.391 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@H](C)F ZINC001160209613 801920537 /nfs/dbraw/zinc/92/05/37/801920537.db2.gz SHLKDBMWTYCYEL-KBPBESRZSA-N 2 1 283.391 0.928 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCCOC ZINC001160209292 801920877 /nfs/dbraw/zinc/92/08/77/801920877.db2.gz GTDCMBVGQUVCLU-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCCOC ZINC001160209292 801920885 /nfs/dbraw/zinc/92/08/85/801920885.db2.gz GTDCMBVGQUVCLU-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP Cc1cnc(NC2(C#N)CC[NH+](C)CC2)nc1C1C[NH2+]C1 ZINC001162230668 802293391 /nfs/dbraw/zinc/29/33/91/802293391.db2.gz CJLVHHBEFGXABV-UHFFFAOYSA-N 2 1 286.383 0.872 20 30 CCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001278855791 808339463 /nfs/dbraw/zinc/33/94/63/808339463.db2.gz VJCOELQFRCJESM-QLFBSQMISA-N 2 1 295.427 0.101 20 30 CCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001278855791 808339471 /nfs/dbraw/zinc/33/94/71/808339471.db2.gz VJCOELQFRCJESM-QLFBSQMISA-N 2 1 295.427 0.101 20 30 CCEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001278855791 808339480 /nfs/dbraw/zinc/33/94/80/808339480.db2.gz VJCOELQFRCJESM-QLFBSQMISA-N 2 1 295.427 0.101 20 30 CCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163819864 802618501 /nfs/dbraw/zinc/61/85/01/802618501.db2.gz BDRCUSBOFSGKMQ-AWEZNQCLSA-N 2 1 277.412 0.980 20 30 CCEDMP C=CC[N@H+](C)CCN(C)C(=O)Cc1[nH]cnc1C ZINC001268255520 812420898 /nfs/dbraw/zinc/42/08/98/812420898.db2.gz GJKLZVLYVBILGO-UHFFFAOYSA-N 2 1 250.346 0.837 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203641698 803040101 /nfs/dbraw/zinc/04/01/01/803040101.db2.gz UJAPCALBCFSQMZ-UONOGXRCSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204876453 803107718 /nfs/dbraw/zinc/10/77/18/803107718.db2.gz WWBNHLHMNBMMRD-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876453 803107723 /nfs/dbraw/zinc/10/77/23/803107723.db2.gz WWBNHLHMNBMMRD-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP N#Cc1cccc(CCC[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206464103 803247650 /nfs/dbraw/zinc/24/76/50/803247650.db2.gz KDSCAZMQCYWVIH-LSDHHAIUSA-N 2 1 259.353 0.742 20 30 CCEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206928720 803310554 /nfs/dbraw/zinc/31/05/54/803310554.db2.gz GQNBUXPUCBGKEU-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550759 803418442 /nfs/dbraw/zinc/41/84/42/803418442.db2.gz IFFZHXKFZJWKFH-YUELXQCFSA-N 2 1 277.412 0.786 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435209 803514532 /nfs/dbraw/zinc/51/45/32/803514532.db2.gz XCGJPSIMHOPQPG-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001276596246 803551337 /nfs/dbraw/zinc/55/13/37/803551337.db2.gz WZXSFVXCHTVJHM-HUUCEWRRSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298241 803647216 /nfs/dbraw/zinc/64/72/16/803647216.db2.gz MUBWCEUZUFRQMD-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000402125698 803814084 /nfs/dbraw/zinc/81/40/84/803814084.db2.gz CNSNTVKDEZZRHD-OCCSQVGLSA-N 2 1 275.352 0.579 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309881587 804016376 /nfs/dbraw/zinc/01/63/76/804016376.db2.gz JSMXOFOBYPJSPA-INIZCTEOSA-N 2 1 285.391 0.848 20 30 CCEDMP C=CCN1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052197 804187081 /nfs/dbraw/zinc/18/70/81/804187081.db2.gz KPDHNMHACRZLNQ-UONOGXRCSA-N 2 1 281.400 0.424 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@H](C)O)C1 ZINC001030019176 815002258 /nfs/dbraw/zinc/00/22/58/815002258.db2.gz AKFWKBODLUZTOS-KKUMJFAQSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@H](C)O)C1 ZINC001030019176 815002262 /nfs/dbraw/zinc/00/22/62/815002262.db2.gz AKFWKBODLUZTOS-KKUMJFAQSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369331 804584190 /nfs/dbraw/zinc/58/41/90/804584190.db2.gz GXZMWIIGQVCKHL-KGLIPLIRSA-N 2 1 295.427 0.149 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369331 804584194 /nfs/dbraw/zinc/58/41/94/804584194.db2.gz GXZMWIIGQVCKHL-KGLIPLIRSA-N 2 1 295.427 0.149 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369331 804584198 /nfs/dbraw/zinc/58/41/98/804584198.db2.gz GXZMWIIGQVCKHL-KGLIPLIRSA-N 2 1 295.427 0.149 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369331 804584201 /nfs/dbraw/zinc/58/42/01/804584201.db2.gz GXZMWIIGQVCKHL-KGLIPLIRSA-N 2 1 295.427 0.149 20 30 CCEDMP N=C(NC(=O)[C@@H]([NH3+])CC[NH3+])c1ccc2cc(O)ccc2c1 ZINC001220633927 804640964 /nfs/dbraw/zinc/64/09/64/804640964.db2.gz DQPFDCGIMOEHJM-ZDUSSCGKSA-N 2 1 286.335 0.453 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001221973056 804857119 /nfs/dbraw/zinc/85/71/19/804857119.db2.gz XHUUCWOTVLHIAY-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001221973056 804857126 /nfs/dbraw/zinc/85/71/26/804857126.db2.gz XHUUCWOTVLHIAY-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001221973056 804857132 /nfs/dbraw/zinc/85/71/32/804857132.db2.gz XHUUCWOTVLHIAY-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430241 804971875 /nfs/dbraw/zinc/97/18/75/804971875.db2.gz JZOUPDWTAILACH-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001100983573 815044293 /nfs/dbraw/zinc/04/42/93/815044293.db2.gz LTYFZRZAWRECKE-UHFFFAOYSA-N 2 1 262.357 0.862 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001223832644 804993352 /nfs/dbraw/zinc/99/33/52/804993352.db2.gz TYTGXEIOPSDVBZ-UHFFFAOYSA-N 2 1 274.368 0.653 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H]1C ZINC001088658570 815052047 /nfs/dbraw/zinc/05/20/47/815052047.db2.gz JBBCOVULENRPNE-APIJFGDWSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CCCN1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C1=O ZINC001246351942 807229722 /nfs/dbraw/zinc/22/97/22/807229722.db2.gz JJRDOYNTZYPBJM-MJBXVCDLSA-N 2 1 263.385 0.731 20 30 CCEDMP C[C@@H]1C[N@H+]([C@H]2CCN[C@H](C#N)C2)CCC[C@@H]1C[NH3+] ZINC001246563929 807292884 /nfs/dbraw/zinc/29/28/84/807292884.db2.gz WCXVQEFNUGWSTO-MQYQWHSLSA-N 2 1 250.390 0.937 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472674 815142915 /nfs/dbraw/zinc/14/29/15/815142915.db2.gz KWYKGYSJYWYDHS-TUVASFSCSA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472674 815142919 /nfs/dbraw/zinc/14/29/19/815142919.db2.gz KWYKGYSJYWYDHS-TUVASFSCSA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472674 815142921 /nfs/dbraw/zinc/14/29/21/815142921.db2.gz KWYKGYSJYWYDHS-TUVASFSCSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCOC[C@@H](O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001252467426 807879363 /nfs/dbraw/zinc/87/93/63/807879363.db2.gz YKRCPMSFHYLPSS-AWEZNQCLSA-N 2 1 256.390 0.824 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001252471207 807881148 /nfs/dbraw/zinc/88/11/48/807881148.db2.gz VDASIHQQCNRVIN-CQSZACIVSA-N 2 1 268.401 0.968 20 30 CCEDMP C=CCOC[C@@H](O)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252473179 807886122 /nfs/dbraw/zinc/88/61/22/807886122.db2.gz IDSMKBCUCYWOIY-HZSPNIEDSA-N 2 1 254.374 0.433 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252473179 807886128 /nfs/dbraw/zinc/88/61/28/807886128.db2.gz IDSMKBCUCYWOIY-HZSPNIEDSA-N 2 1 254.374 0.433 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278806270 808276568 /nfs/dbraw/zinc/27/65/68/808276568.db2.gz XVDKLHKBSHFKKO-ZFWWWQNUSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001278827436 808299029 /nfs/dbraw/zinc/29/90/29/808299029.db2.gz NKRBLCDPGKTYEM-KGLIPLIRSA-N 2 1 283.416 0.313 20 30 CCEDMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001261458533 808981146 /nfs/dbraw/zinc/98/11/46/808981146.db2.gz BUESEZPPYZDJCZ-CHWSQXEVSA-N 2 1 266.389 0.808 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001265370320 809767121 /nfs/dbraw/zinc/76/71/21/809767121.db2.gz OUHQNAFYIZTKPU-JSGCOSHPSA-N 2 1 263.385 0.446 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001265458287 809782751 /nfs/dbraw/zinc/78/27/51/809782751.db2.gz QSKVPCSQCOZVBU-AWEZNQCLSA-N 2 1 292.383 0.585 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001265785744 809852654 /nfs/dbraw/zinc/85/26/54/809852654.db2.gz GWPCVZWIOTUADW-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265897620 809888033 /nfs/dbraw/zinc/88/80/33/809888033.db2.gz SIGMWSYHBJWLGW-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265897620 809888039 /nfs/dbraw/zinc/88/80/39/809888039.db2.gz SIGMWSYHBJWLGW-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP C#CCC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001267331949 811165939 /nfs/dbraw/zinc/16/59/39/811165939.db2.gz XKKMSMDDCWVOSW-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077023820 815433906 /nfs/dbraw/zinc/43/39/06/815433906.db2.gz UOSLAXXOLYFJJZ-AAVRWANBSA-N 2 1 281.400 0.064 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023820 815433908 /nfs/dbraw/zinc/43/39/08/815433908.db2.gz UOSLAXXOLYFJJZ-AAVRWANBSA-N 2 1 281.400 0.064 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023820 815433909 /nfs/dbraw/zinc/43/39/09/815433909.db2.gz UOSLAXXOLYFJJZ-AAVRWANBSA-N 2 1 281.400 0.064 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267558600 811443824 /nfs/dbraw/zinc/44/38/24/811443824.db2.gz CMVRZJJEODCIAY-GDBMZVCRSA-N 2 1 289.423 0.790 20 30 CCEDMP CNC(NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)=[NH+]C ZINC000694967976 811539871 /nfs/dbraw/zinc/53/98/71/811539871.db2.gz KCJRAUUFCVPOKO-HNNXBMFYSA-N 2 1 289.427 0.597 20 30 CCEDMP CNC(NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)=[NH+]C ZINC000694967976 811539879 /nfs/dbraw/zinc/53/98/79/811539879.db2.gz KCJRAUUFCVPOKO-HNNXBMFYSA-N 2 1 289.427 0.597 20 30 CCEDMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001267864326 811844165 /nfs/dbraw/zinc/84/41/65/811844165.db2.gz BJSCJULGZVXZCF-BBRMVZONSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001267941885 811879964 /nfs/dbraw/zinc/87/99/64/811879964.db2.gz FABAKQWIRYQZML-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001267941885 811879971 /nfs/dbraw/zinc/87/99/71/811879971.db2.gz FABAKQWIRYQZML-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001268089258 812228770 /nfs/dbraw/zinc/22/87/70/812228770.db2.gz FSUGKLILBPOGTO-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268101311 812259726 /nfs/dbraw/zinc/25/97/26/812259726.db2.gz WMIQYRJBFHWMOH-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC=C)C1 ZINC001028600810 812955098 /nfs/dbraw/zinc/95/50/98/812955098.db2.gz DOJXMVZPQUCXKH-GJZGRUSLSA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC=C)C1 ZINC001028600810 812955104 /nfs/dbraw/zinc/95/51/04/812955104.db2.gz DOJXMVZPQUCXKH-GJZGRUSLSA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC=C)C1 ZINC001028600810 812955108 /nfs/dbraw/zinc/95/51/08/812955108.db2.gz DOJXMVZPQUCXKH-GJZGRUSLSA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC=C)C1 ZINC001028600810 812955111 /nfs/dbraw/zinc/95/51/11/812955111.db2.gz DOJXMVZPQUCXKH-GJZGRUSLSA-N 2 1 275.396 0.708 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCF)C1 ZINC001028600679 812955314 /nfs/dbraw/zinc/95/53/14/812955314.db2.gz BOAMICWWAXXXGN-GJZGRUSLSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCF)C1 ZINC001028600679 812955318 /nfs/dbraw/zinc/95/53/18/812955318.db2.gz BOAMICWWAXXXGN-GJZGRUSLSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCF)C1 ZINC001028600679 812955321 /nfs/dbraw/zinc/95/53/21/812955321.db2.gz BOAMICWWAXXXGN-GJZGRUSLSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCF)C1 ZINC001028600679 812955323 /nfs/dbraw/zinc/95/53/23/812955323.db2.gz BOAMICWWAXXXGN-GJZGRUSLSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCF)C1 ZINC001028600679 812955334 /nfs/dbraw/zinc/95/53/34/812955334.db2.gz BOAMICWWAXXXGN-GJZGRUSLSA-N 2 1 295.402 0.882 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001269332034 813329091 /nfs/dbraw/zinc/32/90/91/813329091.db2.gz MVHDRGTXXXEFGD-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001269332034 813329098 /nfs/dbraw/zinc/32/90/98/813329098.db2.gz MVHDRGTXXXEFGD-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001269407579 813359654 /nfs/dbraw/zinc/35/96/54/813359654.db2.gz FVQYBUXYKGDKGU-HZSPNIEDSA-N 2 1 265.401 0.834 20 30 CCEDMP COCC#CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001269523147 813403343 /nfs/dbraw/zinc/40/33/43/813403343.db2.gz YUAONWYYJGJSHI-AWEZNQCLSA-N 2 1 293.411 0.216 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028983230 813723837 /nfs/dbraw/zinc/72/38/37/813723837.db2.gz ARSYLZAOCFTCQY-ZIAGYGMSSA-N 2 1 263.385 0.400 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028983230 813723843 /nfs/dbraw/zinc/72/38/43/813723843.db2.gz ARSYLZAOCFTCQY-ZIAGYGMSSA-N 2 1 263.385 0.400 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028987225 813726577 /nfs/dbraw/zinc/72/65/77/813726577.db2.gz WKINHRDIKWGJPJ-KGLIPLIRSA-N 2 1 265.401 0.952 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028987225 813726586 /nfs/dbraw/zinc/72/65/86/813726586.db2.gz WKINHRDIKWGJPJ-KGLIPLIRSA-N 2 1 265.401 0.952 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028987225 813726592 /nfs/dbraw/zinc/72/65/92/813726592.db2.gz WKINHRDIKWGJPJ-KGLIPLIRSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001270485981 813781006 /nfs/dbraw/zinc/78/10/06/813781006.db2.gz HWQGNRBVPMWNJX-STQMWFEESA-N 2 1 253.390 0.999 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075800057 814063235 /nfs/dbraw/zinc/06/32/35/814063235.db2.gz PKWIVHOFIUIOLA-HRCADAONSA-N 2 1 287.407 0.494 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC)CCOCC1 ZINC001271044782 814128090 /nfs/dbraw/zinc/12/80/90/814128090.db2.gz XCOIMWNGFGSJJM-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC)CCOCC1 ZINC001271044782 814128099 /nfs/dbraw/zinc/12/80/99/814128099.db2.gz XCOIMWNGFGSJJM-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001271144524 814206138 /nfs/dbraw/zinc/20/61/38/814206138.db2.gz CKJZGONXTDXPPS-GOEBONIOSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001271144524 814206144 /nfs/dbraw/zinc/20/61/44/814206144.db2.gz CKJZGONXTDXPPS-GOEBONIOSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001271144524 814206153 /nfs/dbraw/zinc/20/61/53/814206153.db2.gz CKJZGONXTDXPPS-GOEBONIOSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993036 814306365 /nfs/dbraw/zinc/30/63/65/814306365.db2.gz XAGUTPGYTHVFCE-PMPSAXMXSA-N 2 1 289.423 0.740 20 30 CCEDMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001271285810 814365748 /nfs/dbraw/zinc/36/57/48/814365748.db2.gz KGAYYJSKZWBVBH-UONOGXRCSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106059 814410388 /nfs/dbraw/zinc/41/03/88/814410388.db2.gz LYUHLFKJOMPEBD-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106059 814410389 /nfs/dbraw/zinc/41/03/89/814410389.db2.gz LYUHLFKJOMPEBD-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106059 814410390 /nfs/dbraw/zinc/41/03/90/814410390.db2.gz LYUHLFKJOMPEBD-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001271820258 814594043 /nfs/dbraw/zinc/59/40/43/814594043.db2.gz AGQHTCXMMSYWBB-KGLIPLIRSA-N 2 1 283.416 0.624 20 30 CCEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001271820258 814594046 /nfs/dbraw/zinc/59/40/46/814594046.db2.gz AGQHTCXMMSYWBB-KGLIPLIRSA-N 2 1 283.416 0.624 20 30 CCEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001271820259 814594394 /nfs/dbraw/zinc/59/43/94/814594394.db2.gz AGQHTCXMMSYWBB-UONOGXRCSA-N 2 1 283.416 0.624 20 30 CCEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001271820259 814594398 /nfs/dbraw/zinc/59/43/98/814594398.db2.gz AGQHTCXMMSYWBB-UONOGXRCSA-N 2 1 283.416 0.624 20 30 CCEDMP C#CCC[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001271869814 814616020 /nfs/dbraw/zinc/61/60/20/814616020.db2.gz RGIBFUJRRBEJPT-AWEZNQCLSA-N 2 1 276.384 0.945 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001203214777 815821035 /nfs/dbraw/zinc/82/10/35/815821035.db2.gz OSETYXFSOSVWKF-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COCC)CC1 ZINC001120496963 816096682 /nfs/dbraw/zinc/09/66/82/816096682.db2.gz OCIVKFMGHFRXBA-CQSZACIVSA-N 2 1 254.374 0.461 20 30 CCEDMP CC#CCN1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031669488 817234168 /nfs/dbraw/zinc/23/41/68/817234168.db2.gz LJQLLKUIYFUQGY-HZPDHXFCSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031669488 817234170 /nfs/dbraw/zinc/23/41/70/817234170.db2.gz LJQLLKUIYFUQGY-HZPDHXFCSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031669488 817234175 /nfs/dbraw/zinc/23/41/75/817234175.db2.gz LJQLLKUIYFUQGY-HZPDHXFCSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCC)C1 ZINC001031742319 817307264 /nfs/dbraw/zinc/30/72/64/817307264.db2.gz AMXFQILIHYPLQU-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCC)C1 ZINC001031742319 817307274 /nfs/dbraw/zinc/30/72/74/817307274.db2.gz AMXFQILIHYPLQU-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124837847 817591522 /nfs/dbraw/zinc/59/15/22/817591522.db2.gz PPLMWCLADBCMOJ-JTQLQIEISA-N 2 1 290.205 0.695 20 30 CCEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001124872910 817606944 /nfs/dbraw/zinc/60/69/44/817606944.db2.gz ORDKKNJADYEPNI-OAHLLOKOSA-N 2 1 286.379 0.858 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077679333 817983760 /nfs/dbraw/zinc/98/37/60/817983760.db2.gz OVHFAVLYIHRBKR-RRFJBIMHSA-N 2 1 295.427 0.456 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001078811917 818056008 /nfs/dbraw/zinc/05/60/08/818056008.db2.gz BHYLUZAIBGAMLZ-KBPBESRZSA-N 2 1 286.379 0.842 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033096988 818514811 /nfs/dbraw/zinc/51/48/11/818514811.db2.gz SLPHMNBSQAOOHX-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033096988 818514817 /nfs/dbraw/zinc/51/48/17/818514817.db2.gz SLPHMNBSQAOOHX-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033096988 818514823 /nfs/dbraw/zinc/51/48/23/818514823.db2.gz SLPHMNBSQAOOHX-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001033704739 818892675 /nfs/dbraw/zinc/89/26/75/818892675.db2.gz ZIROTVWTMUXUHC-ZDUSSCGKSA-N 2 1 262.357 0.992 20 30 CCEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034525237 819228085 /nfs/dbraw/zinc/22/80/85/819228085.db2.gz KPMORJYWQRQCEL-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525237 819228090 /nfs/dbraw/zinc/22/80/90/819228090.db2.gz KPMORJYWQRQCEL-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525237 819228093 /nfs/dbraw/zinc/22/80/93/819228093.db2.gz KPMORJYWQRQCEL-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035851683 819633349 /nfs/dbraw/zinc/63/33/49/819633349.db2.gz ITTQXVHGYOYHNM-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108183043 820090310 /nfs/dbraw/zinc/09/03/10/820090310.db2.gz VJZMSJJKLDRUME-OAHLLOKOSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108183043 820090319 /nfs/dbraw/zinc/09/03/19/820090319.db2.gz VJZMSJJKLDRUME-OAHLLOKOSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001079891178 820484371 /nfs/dbraw/zinc/48/43/71/820484371.db2.gz SXANGOITTQWJBY-RGCMKSIDSA-N 2 1 286.379 0.973 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001079891178 820484378 /nfs/dbraw/zinc/48/43/78/820484378.db2.gz SXANGOITTQWJBY-RGCMKSIDSA-N 2 1 286.379 0.973 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079950297 820491503 /nfs/dbraw/zinc/49/15/03/820491503.db2.gz LNNUHTOSNOLUOT-AAVRWANBSA-N 2 1 281.400 0.328 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079950297 820491508 /nfs/dbraw/zinc/49/15/08/820491508.db2.gz LNNUHTOSNOLUOT-AAVRWANBSA-N 2 1 281.400 0.328 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079950297 820491513 /nfs/dbraw/zinc/49/15/13/820491513.db2.gz LNNUHTOSNOLUOT-AAVRWANBSA-N 2 1 281.400 0.328 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079950297 820491516 /nfs/dbraw/zinc/49/15/16/820491516.db2.gz LNNUHTOSNOLUOT-AAVRWANBSA-N 2 1 281.400 0.328 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080446241 820578013 /nfs/dbraw/zinc/57/80/13/820578013.db2.gz FMORJTGCCINILE-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001080446241 820578020 /nfs/dbraw/zinc/57/80/20/820578020.db2.gz FMORJTGCCINILE-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001080446241 820578025 /nfs/dbraw/zinc/57/80/25/820578025.db2.gz FMORJTGCCINILE-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001080446241 820578032 /nfs/dbraw/zinc/57/80/32/820578032.db2.gz FMORJTGCCINILE-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001080447002 820578837 /nfs/dbraw/zinc/57/88/37/820578837.db2.gz UABFGJVKMPBMFZ-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001080447002 820578833 /nfs/dbraw/zinc/57/88/33/820578833.db2.gz UABFGJVKMPBMFZ-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001080447002 820578842 /nfs/dbraw/zinc/57/88/42/820578842.db2.gz UABFGJVKMPBMFZ-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083023777 821113278 /nfs/dbraw/zinc/11/32/78/821113278.db2.gz OSQPSICFYNKWDY-SOUVJXGZSA-N 2 1 293.411 0.568 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023777 821113282 /nfs/dbraw/zinc/11/32/82/821113282.db2.gz OSQPSICFYNKWDY-SOUVJXGZSA-N 2 1 293.411 0.568 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023777 821113287 /nfs/dbraw/zinc/11/32/87/821113287.db2.gz OSQPSICFYNKWDY-SOUVJXGZSA-N 2 1 293.411 0.568 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001084409045 821287564 /nfs/dbraw/zinc/28/75/64/821287564.db2.gz GYIKPANCZBYQGI-UKRRQHHQSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001084409045 821287569 /nfs/dbraw/zinc/28/75/69/821287569.db2.gz GYIKPANCZBYQGI-UKRRQHHQSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001084409045 821287576 /nfs/dbraw/zinc/28/75/76/821287576.db2.gz GYIKPANCZBYQGI-UKRRQHHQSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001084409045 821287582 /nfs/dbraw/zinc/28/75/82/821287582.db2.gz GYIKPANCZBYQGI-UKRRQHHQSA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084407088 821288087 /nfs/dbraw/zinc/28/80/87/821288087.db2.gz HNLTUVHIBZNBBM-BZUAXINKSA-N 2 1 289.423 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084407088 821288094 /nfs/dbraw/zinc/28/80/94/821288094.db2.gz HNLTUVHIBZNBBM-BZUAXINKSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001084483391 821297373 /nfs/dbraw/zinc/29/73/73/821297373.db2.gz ARLIKVHBZDRFOP-HUUCEWRRSA-N 2 1 287.407 0.781 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001084483391 821297379 /nfs/dbraw/zinc/29/73/79/821297379.db2.gz ARLIKVHBZDRFOP-HUUCEWRRSA-N 2 1 287.407 0.781 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084667810 821342728 /nfs/dbraw/zinc/34/27/28/821342728.db2.gz ZEHRJNAGQAFBHO-HZSPNIEDSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084667810 821342737 /nfs/dbraw/zinc/34/27/37/821342737.db2.gz ZEHRJNAGQAFBHO-HZSPNIEDSA-N 2 1 263.385 0.493 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871866 821466419 /nfs/dbraw/zinc/46/64/19/821466419.db2.gz LEVSVDVMICWFKH-UONOGXRCSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085982174 822051938 /nfs/dbraw/zinc/05/19/38/822051938.db2.gz DEPMPRDCGXEKMS-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085982174 822051944 /nfs/dbraw/zinc/05/19/44/822051944.db2.gz DEPMPRDCGXEKMS-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085982174 822051951 /nfs/dbraw/zinc/05/19/51/822051951.db2.gz DEPMPRDCGXEKMS-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085982174 822051960 /nfs/dbraw/zinc/05/19/60/822051960.db2.gz DEPMPRDCGXEKMS-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001086101945 822114252 /nfs/dbraw/zinc/11/42/52/822114252.db2.gz BZXUHKSABRGFCH-QLFBSQMISA-N 2 1 277.412 0.978 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001086197366 822151778 /nfs/dbraw/zinc/15/17/78/822151778.db2.gz FFYOHCQBFZJLSL-MQYQWHSLSA-N 2 1 265.401 0.855 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100082691 822253704 /nfs/dbraw/zinc/25/37/04/822253704.db2.gz GYSGSTJMCOKPMQ-LSDHHAIUSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082691 822253709 /nfs/dbraw/zinc/25/37/09/822253709.db2.gz GYSGSTJMCOKPMQ-LSDHHAIUSA-N 2 1 295.427 0.293 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100085800 822259185 /nfs/dbraw/zinc/25/91/85/822259185.db2.gz QYDSNULDNVORBJ-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100085800 822259193 /nfs/dbraw/zinc/25/91/93/822259193.db2.gz QYDSNULDNVORBJ-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001098449635 822307127 /nfs/dbraw/zinc/30/71/27/822307127.db2.gz DWZRYXRFBGKEIG-OAHLLOKOSA-N 2 1 295.427 0.552 20 30 CCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098449635 822307130 /nfs/dbraw/zinc/30/71/30/822307130.db2.gz DWZRYXRFBGKEIG-OAHLLOKOSA-N 2 1 295.427 0.552 20 30 CCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098449635 822307142 /nfs/dbraw/zinc/30/71/42/822307142.db2.gz DWZRYXRFBGKEIG-OAHLLOKOSA-N 2 1 295.427 0.552 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC(F)(F)F ZINC001129771148 837558496 /nfs/dbraw/zinc/55/84/96/837558496.db2.gz SALDUGHZGWPDDN-NSHDSACASA-N 2 1 291.317 0.742 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC(F)(F)F ZINC001129771148 837558500 /nfs/dbraw/zinc/55/85/00/837558500.db2.gz SALDUGHZGWPDDN-NSHDSACASA-N 2 1 291.317 0.742 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182582 837723183 /nfs/dbraw/zinc/72/31/83/837723183.db2.gz OFXOVZASTCTGAY-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182582 837723190 /nfs/dbraw/zinc/72/31/90/837723190.db2.gz OFXOVZASTCTGAY-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129362617 836524213 /nfs/dbraw/zinc/52/42/13/836524213.db2.gz ATIXXDGNJSFFDZ-OAHLLOKOSA-N 2 1 293.411 0.359 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129385961 836636640 /nfs/dbraw/zinc/63/66/40/836636640.db2.gz HRUVUEAJHUWUHP-ZDUSSCGKSA-N 2 1 279.388 0.095 20 30 CCEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169989586 836641733 /nfs/dbraw/zinc/64/17/33/836641733.db2.gz BVGFMBGSHDPKSD-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169989586 836641737 /nfs/dbraw/zinc/64/17/37/836641737.db2.gz BVGFMBGSHDPKSD-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184309306 844199618 /nfs/dbraw/zinc/19/96/18/844199618.db2.gz FAGBHQUUQUJTKJ-CYBMUJFWSA-N 2 1 260.341 0.405 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520089 838120420 /nfs/dbraw/zinc/12/04/20/838120420.db2.gz UACAYTRXEQHGFA-NPCAHTBFSA-N 2 1 293.411 0.522 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133869807 838759407 /nfs/dbraw/zinc/75/94/07/838759407.db2.gz LQFOBMNUUSTCBJ-GFCCVEGCSA-N 2 1 260.341 0.093 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090817220 839828015 /nfs/dbraw/zinc/82/80/15/839828015.db2.gz SBLLUMLJXUNAPF-KBPBESRZSA-N 2 1 281.400 0.210 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523340 841031723 /nfs/dbraw/zinc/03/17/23/841031723.db2.gz GYLRHXQBOQWSNT-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523340 841031729 /nfs/dbraw/zinc/03/17/29/841031729.db2.gz GYLRHXQBOQWSNT-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523340 841031738 /nfs/dbraw/zinc/03/17/38/841031738.db2.gz GYLRHXQBOQWSNT-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523340 841031742 /nfs/dbraw/zinc/03/17/42/841031742.db2.gz GYLRHXQBOQWSNT-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCC(CC#N)CC1 ZINC001173329334 842042800 /nfs/dbraw/zinc/04/28/00/842042800.db2.gz FZWKZDVMQSQWPR-CXQJBGSLSA-N 2 1 253.346 0.796 20 30 CCEDMP N#CCC1CCC([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001173324919 842043037 /nfs/dbraw/zinc/04/30/37/842043037.db2.gz BAMLJGBSHDWMCV-UHFFFAOYSA-N 2 1 283.416 0.725 20 30 CCEDMP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001095240793 842123993 /nfs/dbraw/zinc/12/39/93/842123993.db2.gz DSHHZLFEGOLSBX-RFGFWPKPSA-N 2 1 261.369 0.435 20 30 CCEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178107240 842759296 /nfs/dbraw/zinc/75/92/96/842759296.db2.gz NJGMGAOPGQWLAD-OAHLLOKOSA-N 2 1 295.427 0.607 20 30 CCEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178107240 842759302 /nfs/dbraw/zinc/75/93/02/842759302.db2.gz NJGMGAOPGQWLAD-OAHLLOKOSA-N 2 1 295.427 0.607 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001183085753 843961708 /nfs/dbraw/zinc/96/17/08/843961708.db2.gz HKJWBKMMNVZVFL-UHFFFAOYSA-N 2 1 279.384 0.087 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183288168 844005489 /nfs/dbraw/zinc/00/54/89/844005489.db2.gz AZPVJHRZNRROQQ-CQSZACIVSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193280774 846040335 /nfs/dbraw/zinc/04/03/35/846040335.db2.gz XVAKAPZCBPDRTP-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280774 846040344 /nfs/dbraw/zinc/04/03/44/846040344.db2.gz XVAKAPZCBPDRTP-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280774 846040349 /nfs/dbraw/zinc/04/03/49/846040349.db2.gz XVAKAPZCBPDRTP-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194155501 846224644 /nfs/dbraw/zinc/22/46/44/846224644.db2.gz UJQRNASTTKKFRB-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001194155501 846224649 /nfs/dbraw/zinc/22/46/49/846224649.db2.gz UJQRNASTTKKFRB-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001194155501 846224661 /nfs/dbraw/zinc/22/46/61/846224661.db2.gz UJQRNASTTKKFRB-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194155501 846224670 /nfs/dbraw/zinc/22/46/70/846224670.db2.gz UJQRNASTTKKFRB-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194155501 846224684 /nfs/dbraw/zinc/22/46/84/846224684.db2.gz UJQRNASTTKKFRB-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976456 847709341 /nfs/dbraw/zinc/70/93/41/847709341.db2.gz TZWBXRDEABCVIE-CQSZACIVSA-N 2 1 292.383 0.585 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201800392 847813054 /nfs/dbraw/zinc/81/30/54/847813054.db2.gz JHAVELZMDHZTJV-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114408930 848050263 /nfs/dbraw/zinc/05/02/63/848050263.db2.gz CZPLIHOBUZPJRA-CBBWQLFWSA-N 2 1 277.412 0.949 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114409084 848050785 /nfs/dbraw/zinc/05/07/85/848050785.db2.gz GDRKYCUIZZGCIX-YJNKXOJESA-N 2 1 275.396 0.396 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114463517 848074450 /nfs/dbraw/zinc/07/44/50/848074450.db2.gz IUBDXUCGQRUREV-RQJABVFESA-N 2 1 265.401 0.949 20 30 CCEDMP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001275210560 848668468 /nfs/dbraw/zinc/66/84/68/848668468.db2.gz ZOXYOPFCNCUCRH-BPCQOVAHSA-N 2 1 251.374 0.751 20 30 CCEDMP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001275416311 848715274 /nfs/dbraw/zinc/71/52/74/848715274.db2.gz UVDMQLAGPIWWHW-KGLIPLIRSA-N 2 1 295.427 0.603 20 30 CCEDMP C#CC[NH+](C)[C@H](C)CNC(=O)CC[N@H+](C)CCC ZINC001275978054 848879513 /nfs/dbraw/zinc/87/95/13/848879513.db2.gz XUHXDFTUJOFXNN-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001275978054 848879514 /nfs/dbraw/zinc/87/95/14/848879514.db2.gz XUHXDFTUJOFXNN-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001275978054 848879517 /nfs/dbraw/zinc/87/95/17/848879517.db2.gz XUHXDFTUJOFXNN-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750335 849386061 /nfs/dbraw/zinc/38/60/61/849386061.db2.gz FWOXUAGMTYVPQY-FOLVSLTJSA-N 2 1 293.411 0.024 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038400826 849880285 /nfs/dbraw/zinc/88/02/85/849880285.db2.gz RMJYHMPOXMCWMN-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038400826 849880290 /nfs/dbraw/zinc/88/02/90/849880290.db2.gz RMJYHMPOXMCWMN-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038400826 849880292 /nfs/dbraw/zinc/88/02/92/849880292.db2.gz RMJYHMPOXMCWMN-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038400826 849880297 /nfs/dbraw/zinc/88/02/97/849880297.db2.gz RMJYHMPOXMCWMN-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040529909 850299562 /nfs/dbraw/zinc/29/95/62/850299562.db2.gz SJUOKULVTWFZDY-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040529909 850299576 /nfs/dbraw/zinc/29/95/76/850299576.db2.gz SJUOKULVTWFZDY-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040529909 850299585 /nfs/dbraw/zinc/29/95/85/850299585.db2.gz SJUOKULVTWFZDY-DOTOQJQBSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001042758629 850754465 /nfs/dbraw/zinc/75/44/65/850754465.db2.gz NONMWCDQOHFMNP-HIFRSBDPSA-N 2 1 293.411 0.568 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042758629 850754469 /nfs/dbraw/zinc/75/44/69/850754469.db2.gz NONMWCDQOHFMNP-HIFRSBDPSA-N 2 1 293.411 0.568 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001044778912 851156258 /nfs/dbraw/zinc/15/62/58/851156258.db2.gz BTZHVCPIILSCKW-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001044778911 851157429 /nfs/dbraw/zinc/15/74/29/851157429.db2.gz BTZHVCPIILSCKW-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001046421166 851497674 /nfs/dbraw/zinc/49/76/74/851497674.db2.gz SOCYYRGHIHABKH-UMVBOHGHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046421166 851497678 /nfs/dbraw/zinc/49/76/78/851497678.db2.gz SOCYYRGHIHABKH-UMVBOHGHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046421166 851497681 /nfs/dbraw/zinc/49/76/81/851497681.db2.gz SOCYYRGHIHABKH-UMVBOHGHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046421166 851497684 /nfs/dbraw/zinc/49/76/84/851497684.db2.gz SOCYYRGHIHABKH-UMVBOHGHSA-N 2 1 281.400 0.472 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001052713209 852645358 /nfs/dbraw/zinc/64/53/58/852645358.db2.gz SXBFBDCFJHEGTR-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052713209 852645363 /nfs/dbraw/zinc/64/53/63/852645363.db2.gz SXBFBDCFJHEGTR-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052713209 852645369 /nfs/dbraw/zinc/64/53/69/852645369.db2.gz SXBFBDCFJHEGTR-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001050664013 853409250 /nfs/dbraw/zinc/40/92/50/853409250.db2.gz JUKULNUDMVPOLK-HUUCEWRRSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753785 853424084 /nfs/dbraw/zinc/42/40/84/853424084.db2.gz DESQRDJXEMRYBU-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276929 853722880 /nfs/dbraw/zinc/72/28/80/853722880.db2.gz NNFYTLWDWBEDNS-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276929 853722887 /nfs/dbraw/zinc/72/28/87/853722887.db2.gz NNFYTLWDWBEDNS-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052276929 853722897 /nfs/dbraw/zinc/72/28/97/853722897.db2.gz NNFYTLWDWBEDNS-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052276929 853722905 /nfs/dbraw/zinc/72/29/05/853722905.db2.gz NNFYTLWDWBEDNS-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001052563216 853765824 /nfs/dbraw/zinc/76/58/24/853765824.db2.gz KPTZWPBYLJQRTP-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001052563216 853765827 /nfs/dbraw/zinc/76/58/27/853765827.db2.gz KPTZWPBYLJQRTP-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073554645 854593197 /nfs/dbraw/zinc/59/31/97/854593197.db2.gz KOGLWIFENQXJOY-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073554645 854593199 /nfs/dbraw/zinc/59/31/99/854593199.db2.gz KOGLWIFENQXJOY-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073554645 854593203 /nfs/dbraw/zinc/59/32/03/854593203.db2.gz KOGLWIFENQXJOY-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073611241 854614945 /nfs/dbraw/zinc/61/49/45/854614945.db2.gz RMUOOEZVKNTMES-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073611241 854614948 /nfs/dbraw/zinc/61/49/48/854614948.db2.gz RMUOOEZVKNTMES-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611241 854614955 /nfs/dbraw/zinc/61/49/55/854614955.db2.gz RMUOOEZVKNTMES-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611241 854614958 /nfs/dbraw/zinc/61/49/58/854614958.db2.gz RMUOOEZVKNTMES-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073856995 854655194 /nfs/dbraw/zinc/65/51/94/854655194.db2.gz WLSDXGJIDUBRHN-CQSZACIVSA-N 2 1 293.411 0.475 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(CC)CCO1)C2 ZINC001098445989 854868013 /nfs/dbraw/zinc/86/80/13/854868013.db2.gz ZTNNWZZGMVVXGU-APIJFGDWSA-N 2 1 291.395 0.062 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(CC)CCO1)C2 ZINC001098445989 854868021 /nfs/dbraw/zinc/86/80/21/854868021.db2.gz ZTNNWZZGMVVXGU-APIJFGDWSA-N 2 1 291.395 0.062 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001099160288 854918106 /nfs/dbraw/zinc/91/81/06/854918106.db2.gz NZASMGGGGKEILA-VYDXJSESSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001099160288 854918109 /nfs/dbraw/zinc/91/81/09/854918109.db2.gz NZASMGGGGKEILA-VYDXJSESSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001099160288 854918118 /nfs/dbraw/zinc/91/81/18/854918118.db2.gz NZASMGGGGKEILA-VYDXJSESSA-N 2 1 289.423 0.932 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132193 855103631 /nfs/dbraw/zinc/10/36/31/855103631.db2.gz POJNWSNNBGQTFD-UONOGXRCSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132193 855103634 /nfs/dbraw/zinc/10/36/34/855103634.db2.gz POJNWSNNBGQTFD-UONOGXRCSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132193 855103639 /nfs/dbraw/zinc/10/36/39/855103639.db2.gz POJNWSNNBGQTFD-UONOGXRCSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131996 855104746 /nfs/dbraw/zinc/10/47/46/855104746.db2.gz LWDUKDYPDPIWKJ-OLZOCXBDSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131996 855104747 /nfs/dbraw/zinc/10/47/47/855104747.db2.gz LWDUKDYPDPIWKJ-OLZOCXBDSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131996 855104748 /nfs/dbraw/zinc/10/47/48/855104748.db2.gz LWDUKDYPDPIWKJ-OLZOCXBDSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101037722 855257476 /nfs/dbraw/zinc/25/74/76/855257476.db2.gz UXXJONYIGIBQNU-UHFFFAOYSA-N 2 1 253.390 0.997 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCC)C1 ZINC001111950821 855607002 /nfs/dbraw/zinc/60/70/02/855607002.db2.gz BXCNDKOUMUSZHG-HOCLYGCPSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111950821 855607005 /nfs/dbraw/zinc/60/70/05/855607005.db2.gz BXCNDKOUMUSZHG-HOCLYGCPSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111950821 855607010 /nfs/dbraw/zinc/60/70/10/855607010.db2.gz BXCNDKOUMUSZHG-HOCLYGCPSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115081453 855639429 /nfs/dbraw/zinc/63/94/29/855639429.db2.gz RKEQQUKBYKIIML-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115081453 855639434 /nfs/dbraw/zinc/63/94/34/855639434.db2.gz RKEQQUKBYKIIML-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115081453 855639438 /nfs/dbraw/zinc/63/94/38/855639438.db2.gz RKEQQUKBYKIIML-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001115343249 855663776 /nfs/dbraw/zinc/66/37/76/855663776.db2.gz DYHQOAFBMKICCM-VQFNDLOPSA-N 2 1 297.402 0.798 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001115343249 855663782 /nfs/dbraw/zinc/66/37/82/855663782.db2.gz DYHQOAFBMKICCM-VQFNDLOPSA-N 2 1 297.402 0.798 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)Cc1ccccc1 ZINC001115343249 855663786 /nfs/dbraw/zinc/66/37/86/855663786.db2.gz DYHQOAFBMKICCM-VQFNDLOPSA-N 2 1 297.402 0.798 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)Cc1ccccc1 ZINC001115343249 855663792 /nfs/dbraw/zinc/66/37/92/855663792.db2.gz DYHQOAFBMKICCM-VQFNDLOPSA-N 2 1 297.402 0.798 20 30 CCEDMP C=CC[N@H+](C)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001266326934 891446604 /nfs/dbraw/zinc/44/66/04/891446604.db2.gz QRLFVMNJWSQDHX-ZDUSSCGKSA-N 2 1 276.384 0.988 20 30 CCEDMP C=CC[N@@H+](C)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001266326934 891446611 /nfs/dbraw/zinc/44/66/11/891446611.db2.gz QRLFVMNJWSQDHX-ZDUSSCGKSA-N 2 1 276.384 0.988 20 30 CCEDMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001481810334 893176075 /nfs/dbraw/zinc/17/60/75/893176075.db2.gz FXCQXYKRESNASL-UONOGXRCSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482284315 893771076 /nfs/dbraw/zinc/77/10/76/893771076.db2.gz MUTLUGBWMGSLGS-KBPBESRZSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001506923367 894937343 /nfs/dbraw/zinc/93/73/43/894937343.db2.gz QRWXZRGZVVOFID-MGPQQGTHSA-N 2 1 265.401 0.834 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC001326399475 913933639 /nfs/dbraw/zinc/93/36/39/913933639.db2.gz AKNUKXXLALAUOG-ZIAGYGMSSA-N 2 1 287.367 0.576 20 30 CCEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483340102 895481557 /nfs/dbraw/zinc/48/15/57/895481557.db2.gz XEVNVOVZWDGIMX-ZFWWWQNUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001483588620 895669909 /nfs/dbraw/zinc/66/99/09/895669909.db2.gz WLIRJWGTGANSNW-DZGCQCFKSA-N 2 1 277.412 0.836 20 30 CCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001484493002 896437888 /nfs/dbraw/zinc/43/78/88/896437888.db2.gz ARISMWCIANQPJA-AWEZNQCLSA-N 2 1 283.416 0.315 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001485621989 897155049 /nfs/dbraw/zinc/15/50/49/897155049.db2.gz BJOLFDCDGFLJCE-FPCVCCKLSA-N 2 1 289.423 0.646 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001485621989 897155066 /nfs/dbraw/zinc/15/50/66/897155066.db2.gz BJOLFDCDGFLJCE-FPCVCCKLSA-N 2 1 289.423 0.646 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001485621989 897155076 /nfs/dbraw/zinc/15/50/76/897155076.db2.gz BJOLFDCDGFLJCE-FPCVCCKLSA-N 2 1 289.423 0.646 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001032446164 897570924 /nfs/dbraw/zinc/57/09/24/897570924.db2.gz XIVDBRKRULKHHU-SOUVJXGZSA-N 2 1 275.396 0.635 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001032446164 897570945 /nfs/dbraw/zinc/57/09/45/897570945.db2.gz XIVDBRKRULKHHU-SOUVJXGZSA-N 2 1 275.396 0.635 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC)C1 ZINC001078412949 898373458 /nfs/dbraw/zinc/37/34/58/898373458.db2.gz LVBMEGGTXMNADW-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC)C1 ZINC001078412949 898373476 /nfs/dbraw/zinc/37/34/76/898373476.db2.gz LVBMEGGTXMNADW-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CCO1 ZINC001327063863 914349753 /nfs/dbraw/zinc/34/97/53/914349753.db2.gz KAPQIEOLJDXKIN-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001488779366 900374938 /nfs/dbraw/zinc/37/49/38/900374938.db2.gz ALBJTLOCTKUSFK-GASCZTMLSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001489271694 900461889 /nfs/dbraw/zinc/46/18/89/900461889.db2.gz LFHQRKJAWPXVSP-OLZOCXBDSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001281764465 904345145 /nfs/dbraw/zinc/34/51/45/904345145.db2.gz ZZAWCAOWCHOMLA-ZFWWWQNUSA-N 2 1 263.385 0.590 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001281768339 904347227 /nfs/dbraw/zinc/34/72/27/904347227.db2.gz LYMLYGQOLNYRLJ-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001281768339 904347240 /nfs/dbraw/zinc/34/72/40/904347240.db2.gz LYMLYGQOLNYRLJ-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]CC1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001282065722 904404340 /nfs/dbraw/zinc/40/43/40/904404340.db2.gz DQSWMQDQOMYASH-UHFFFAOYSA-N 2 1 253.390 0.999 20 30 CCEDMP C=CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001283030962 904674990 /nfs/dbraw/zinc/67/49/90/904674990.db2.gz BNJUTIMREPRLAH-KKUMJFAQSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001283261247 904782363 /nfs/dbraw/zinc/78/23/63/904782363.db2.gz QUDQKSDKZJTKCI-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001283926469 905087497 /nfs/dbraw/zinc/08/74/97/905087497.db2.gz IQBSMOFBRIDEKW-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCOC ZINC001284668617 905411651 /nfs/dbraw/zinc/41/16/51/905411651.db2.gz PQBRCCDJFCRFPZ-CQSZACIVSA-N 2 1 281.400 0.026 20 30 CCEDMP CC#CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCOC ZINC001284668617 905411663 /nfs/dbraw/zinc/41/16/63/905411663.db2.gz PQBRCCDJFCRFPZ-CQSZACIVSA-N 2 1 281.400 0.026 20 30 CCEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCOC ZINC001284668617 905411669 /nfs/dbraw/zinc/41/16/69/905411669.db2.gz PQBRCCDJFCRFPZ-CQSZACIVSA-N 2 1 281.400 0.026 20 30 CCEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCOC ZINC001284668617 905411684 /nfs/dbraw/zinc/41/16/84/905411684.db2.gz PQBRCCDJFCRFPZ-CQSZACIVSA-N 2 1 281.400 0.026 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001317490515 908498422 /nfs/dbraw/zinc/49/84/22/908498422.db2.gz YDEKXPVVTVISFG-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317010308 908916107 /nfs/dbraw/zinc/91/61/07/908916107.db2.gz DMYQJJSTKVWRLH-LSDHHAIUSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317010308 908916119 /nfs/dbraw/zinc/91/61/19/908916119.db2.gz DMYQJJSTKVWRLH-LSDHHAIUSA-N 2 1 295.427 0.768 20 30 CCEDMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001317011643 908916619 /nfs/dbraw/zinc/91/66/19/908916619.db2.gz OUZJRITZGGJACA-ZIAGYGMSSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001317180013 909033845 /nfs/dbraw/zinc/03/38/45/909033845.db2.gz ZRTMRTDQRNPOAS-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@@H](C)OC)CC1 ZINC001317471391 909250637 /nfs/dbraw/zinc/25/06/37/909250637.db2.gz IBDSVOKJUGVMML-CQSZACIVSA-N 2 1 295.427 0.415 20 30 CCEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001318603034 909831280 /nfs/dbraw/zinc/83/12/80/909831280.db2.gz NIJUSQWTVDATNU-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001318603034 909831298 /nfs/dbraw/zinc/83/12/98/909831298.db2.gz NIJUSQWTVDATNU-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CC[NH2+]CC1(NC(=O)CC[NH+]2CCOCC2)CCCC1 ZINC001318665393 909856121 /nfs/dbraw/zinc/85/61/21/909856121.db2.gz ZEPZPYPJGAZDET-UHFFFAOYSA-N 2 1 295.427 0.913 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001320242651 910551323 /nfs/dbraw/zinc/55/13/23/910551323.db2.gz OWHCIHSNOMKRGD-CABCVRRESA-N 2 1 297.443 0.750 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320274627 910569553 /nfs/dbraw/zinc/56/95/53/910569553.db2.gz QMESKYMZWBDHGQ-UONOGXRCSA-N 2 1 283.416 0.361 20 30 CCEDMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001321189165 911147424 /nfs/dbraw/zinc/14/74/24/911147424.db2.gz LKJQDXLBUCCAJD-DSYXLKISSA-N 2 1 251.374 0.919 20 30 CCEDMP C=CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001328520898 915248663 /nfs/dbraw/zinc/24/86/63/915248663.db2.gz YIZMTRNFTCKMTK-ZDUSSCGKSA-N 2 1 281.400 0.210 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001329514727 915977176 /nfs/dbraw/zinc/97/71/76/915977176.db2.gz GRALVUNDACTGCZ-AWEZNQCLSA-N 2 1 283.416 0.415 20 30 CCEDMP C=CCO[C@H]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC001329945387 916301649 /nfs/dbraw/zinc/30/16/49/916301649.db2.gz NCBUAKUUKKDNCL-KBPBESRZSA-N 2 1 254.374 0.718 20 30 CCEDMP C=CCO[C@H]1CC[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC001329945387 916301668 /nfs/dbraw/zinc/30/16/68/916301668.db2.gz NCBUAKUUKKDNCL-KBPBESRZSA-N 2 1 254.374 0.718 20 30 CCEDMP C=CCO[C@H]1CC[N@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC001329945387 916301688 /nfs/dbraw/zinc/30/16/88/916301688.db2.gz NCBUAKUUKKDNCL-KBPBESRZSA-N 2 1 254.374 0.718 20 30 CCEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001330674665 916786528 /nfs/dbraw/zinc/78/65/28/916786528.db2.gz TUGRARXEHZGZDK-HDJSIYSDSA-N 2 1 281.400 0.379 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001335986848 920545288 /nfs/dbraw/zinc/54/52/88/920545288.db2.gz OWTVXGOIRYGHRG-HNNXBMFYSA-N 2 1 276.384 0.321 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001335986850 920545742 /nfs/dbraw/zinc/54/57/42/920545742.db2.gz OWTVXGOIRYGHRG-OAHLLOKOSA-N 2 1 276.384 0.321 20 30 CCEDMP C#CCC[NH+]1CCC(NC[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC001336779092 921001900 /nfs/dbraw/zinc/00/19/00/921001900.db2.gz GAVFJRZMYVEFOC-MRXNPFEDSA-N 2 1 279.428 0.519 20 30 CCEDMP C#CCC[NH+]1CCC(NC[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC001336779091 921002728 /nfs/dbraw/zinc/00/27/28/921002728.db2.gz GAVFJRZMYVEFOC-INIZCTEOSA-N 2 1 279.428 0.519 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC001340866624 922251367 /nfs/dbraw/zinc/25/13/67/922251367.db2.gz ZJVQSAGAJXIPEI-LBPRGKRZSA-N 2 1 279.388 0.786 20 30 CCEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC001348860963 924831449 /nfs/dbraw/zinc/83/14/49/924831449.db2.gz SHMKVDZWPGSGAI-FRRDWIJNSA-N 2 1 266.389 0.806 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001357417646 926527012 /nfs/dbraw/zinc/52/70/12/926527012.db2.gz LNFKCJCFPGSFGY-INIZCTEOSA-N 2 1 292.427 0.869 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])o1 ZINC000600769630 362058919 /nfs/dbraw/zinc/05/89/19/362058919.db2.gz PYFDFGRWQLEUTA-GFCCVEGCSA-N 2 1 290.367 0.971 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])o1 ZINC000600769630 362058923 /nfs/dbraw/zinc/05/89/23/362058923.db2.gz PYFDFGRWQLEUTA-GFCCVEGCSA-N 2 1 290.367 0.971 20 30 CCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374157118 260188550 /nfs/dbraw/zinc/18/85/50/260188550.db2.gz FCALKQJWYSILRA-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C[C@H](CCC#N)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000602544662 362668806 /nfs/dbraw/zinc/66/88/06/362668806.db2.gz JFDJBHMRRGDZFO-CVEARBPZSA-N 2 1 294.443 0.922 20 30 CCEDMP CC[N@@H+]1CCO[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000073078945 348943230 /nfs/dbraw/zinc/94/32/30/348943230.db2.gz SUPNLNFUSJNSPO-CQSZACIVSA-N 2 1 296.415 0.401 20 30 CCEDMP CC[N@H+]1CCO[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000073078945 348943232 /nfs/dbraw/zinc/94/32/32/348943232.db2.gz SUPNLNFUSJNSPO-CQSZACIVSA-N 2 1 296.415 0.401 20 30 CCEDMP C[NH2+]CCCc1[nH]nc(NC(=O)C[N@@H+](C)C(C)C)c1C#N ZINC000089676112 349399855 /nfs/dbraw/zinc/39/98/55/349399855.db2.gz OJHFUOVXHJFWFN-UHFFFAOYSA-N 2 1 292.387 0.712 20 30 CCEDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CC[N@H+]1C ZINC000574749854 359039976 /nfs/dbraw/zinc/03/99/76/359039976.db2.gz CTQGXLZRQBDIPD-MGPQQGTHSA-N 2 1 268.405 0.265 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC000491803382 262069688 /nfs/dbraw/zinc/06/96/88/262069688.db2.gz IVPJMRORSGZFGZ-UHFFFAOYSA-N 2 1 295.427 0.560 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC000491803382 262069689 /nfs/dbraw/zinc/06/96/89/262069689.db2.gz IVPJMRORSGZFGZ-UHFFFAOYSA-N 2 1 295.427 0.560 20 30 CCEDMP C[N@H+]1CCCN(CCNC(=[NH2+])NC2CCCCC2)CC1 ZINC000303893695 389081304 /nfs/dbraw/zinc/08/13/04/389081304.db2.gz SCHBTRPYVHMOLL-UHFFFAOYSA-N 2 1 281.448 0.861 20 30 CCEDMP CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000264068188 389304847 /nfs/dbraw/zinc/30/48/47/389304847.db2.gz CACKXAUFCKLGSM-GFCCVEGCSA-N 2 1 276.384 0.941 20 30 CCEDMP CNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000264068188 389304849 /nfs/dbraw/zinc/30/48/49/389304849.db2.gz CACKXAUFCKLGSM-GFCCVEGCSA-N 2 1 276.384 0.941 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000264115630 389307604 /nfs/dbraw/zinc/30/76/04/389307604.db2.gz SOBQEROAEIJIFF-SNVBAGLBSA-N 2 1 253.350 0.521 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333160 389984688 /nfs/dbraw/zinc/98/46/88/389984688.db2.gz FDCMFLNQZMPVHJ-OLZOCXBDSA-N 2 1 251.374 0.610 20 30 CCEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC2(C)C)C1=O ZINC000420369347 389993251 /nfs/dbraw/zinc/99/32/51/389993251.db2.gz UZMFFVOJAHCTHI-NWDGAFQWSA-N 2 1 251.374 0.751 20 30 CCEDMP C[C@@H](O)[C@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@@H]1[C@H](C)O ZINC000661764203 414672463 /nfs/dbraw/zinc/67/24/63/414672463.db2.gz AXJVEUQISIJSLM-QKPAOTATSA-N 2 1 280.412 0.680 20 30 CCEDMP C[C@@H](O)[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000661764203 414672466 /nfs/dbraw/zinc/67/24/66/414672466.db2.gz AXJVEUQISIJSLM-QKPAOTATSA-N 2 1 280.412 0.680 20 30 CCEDMP C[C@@H](O)[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661764203 414672469 /nfs/dbraw/zinc/67/24/69/414672469.db2.gz AXJVEUQISIJSLM-QKPAOTATSA-N 2 1 280.412 0.680 20 30 CCEDMP C(#CC[N@H+]1CCC2(COC2)C1)C[NH+]1CCC2(COC2)C1 ZINC000662071755 414689939 /nfs/dbraw/zinc/68/99/39/414689939.db2.gz BOLWYVFEGLWDRP-UHFFFAOYSA-N 2 1 276.380 0.434 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CCC[NH2+]1 ZINC000662683105 414740604 /nfs/dbraw/zinc/74/06/04/414740604.db2.gz VTGOFRXUAYXNOO-GXTWGEPZSA-N 2 1 251.374 0.753 20 30 CCEDMP C=CC[C@]1(C(=O)N[C@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000662691400 414741666 /nfs/dbraw/zinc/74/16/66/414741666.db2.gz HYZZGZLGZAQNMW-GXTWGEPZSA-N 2 1 251.374 0.895 20 30 CCEDMP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CCC[NH2+]1 ZINC000662721175 414746274 /nfs/dbraw/zinc/74/62/74/414746274.db2.gz KVBQQUVHXKWRHX-HIFRSBDPSA-N 2 1 281.400 0.522 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000491784139 262046374 /nfs/dbraw/zinc/04/63/74/262046374.db2.gz QHAXSLTVNFKKNA-STQMWFEESA-N 2 1 266.389 0.320 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cn[nH]c1 ZINC000290755459 263118457 /nfs/dbraw/zinc/11/84/57/263118457.db2.gz YTLJOUDUUUPNFT-LBPRGKRZSA-N 2 1 264.377 0.341 20 30 CCEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCC[N@H+]1C ZINC000356986142 266225564 /nfs/dbraw/zinc/22/55/64/266225564.db2.gz JFCLNYNYIUKSRK-CYBMUJFWSA-N 2 1 266.389 0.775 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000329792955 279295901 /nfs/dbraw/zinc/29/59/01/279295901.db2.gz AOMLPIDNYAZVMM-KGLIPLIRSA-N 2 1 297.447 0.220 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329792955 279295902 /nfs/dbraw/zinc/29/59/02/279295902.db2.gz AOMLPIDNYAZVMM-KGLIPLIRSA-N 2 1 297.447 0.220 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000329792955 279295903 /nfs/dbraw/zinc/29/59/03/279295903.db2.gz AOMLPIDNYAZVMM-KGLIPLIRSA-N 2 1 297.447 0.220 20 30 CCEDMP C[NH+]=C(NCc1nccn1C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261752377 328141070 /nfs/dbraw/zinc/14/10/70/328141070.db2.gz LZDLHDSTVDXAGH-YPMHNXCESA-N 2 1 290.415 0.568 20 30 CCEDMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262303037 330005043 /nfs/dbraw/zinc/00/50/43/330005043.db2.gz QSOXTBAAVYDUIM-CYBMUJFWSA-N 2 1 284.310 0.758 20 30 CCEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)NC[C@H]1CCCO1 ZINC000262356245 330007844 /nfs/dbraw/zinc/00/78/44/330007844.db2.gz JIPNZWXTBAGRTD-GFCCVEGCSA-N 2 1 252.362 0.332 20 30 CCEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)NC[C@H]1CCCO1 ZINC000262356245 330007845 /nfs/dbraw/zinc/00/78/45/330007845.db2.gz JIPNZWXTBAGRTD-GFCCVEGCSA-N 2 1 252.362 0.332 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@H](COC)C1 ZINC000262430998 330010235 /nfs/dbraw/zinc/01/02/35/330010235.db2.gz DYYCJXWOUHRIKQ-STQMWFEESA-N 2 1 268.405 0.482 20 30 CCEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262489292 330017042 /nfs/dbraw/zinc/01/70/42/330017042.db2.gz UIKNCOGIMNJJSR-ZIAGYGMSSA-N 2 1 282.432 1.000 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@]1([NH+](C)C)CCSC1 ZINC000262491118 330017342 /nfs/dbraw/zinc/01/73/42/330017342.db2.gz UZQWBAWSUKLQPW-GFCCVEGCSA-N 2 1 256.419 0.904 20 30 CCEDMP C[NH+](C)[C@@]1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCSC1 ZINC000262498656 330017793 /nfs/dbraw/zinc/01/77/93/330017793.db2.gz XLBNMNNPEZGDEV-WCQYABFASA-N 2 1 286.445 0.507 20 30 CCEDMP C[NH+](C)[C@]1(CNC(=[NH2+])N2CCSCC2)CCSC1 ZINC000262499802 330017877 /nfs/dbraw/zinc/01/78/77/330017877.db2.gz XVZFVRHEQZTEIX-LBPRGKRZSA-N 2 1 288.486 0.787 20 30 CCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262505428 330018624 /nfs/dbraw/zinc/01/86/24/330018624.db2.gz ZTLNMUVWQIXOMD-QWHCGFSZSA-N 2 1 284.404 0.133 20 30 CCEDMP C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262810506 330033316 /nfs/dbraw/zinc/03/33/16/330033316.db2.gz VBWLDSADUFSUBH-LLVKDONJSA-N 2 1 266.389 0.303 20 30 CCEDMP C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262810506 330033317 /nfs/dbraw/zinc/03/33/17/330033317.db2.gz VBWLDSADUFSUBH-LLVKDONJSA-N 2 1 266.389 0.303 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nn(C)cc1Cl ZINC000263184699 330047976 /nfs/dbraw/zinc/04/79/76/330047976.db2.gz URPCVMVWDAISMY-SNVBAGLBSA-N 2 1 298.822 0.962 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000527544266 330261255 /nfs/dbraw/zinc/26/12/55/330261255.db2.gz BNLHKQRJAPTOHD-UKRRQHHQSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000527544266 330261257 /nfs/dbraw/zinc/26/12/57/330261257.db2.gz BNLHKQRJAPTOHD-UKRRQHHQSA-N 2 1 295.427 0.862 20 30 CCEDMP Cc1cccc(NCCNC(=O)[C@@H]([NH3+])CCCC#N)[nH+]1 ZINC000424137471 330274995 /nfs/dbraw/zinc/27/49/95/330274995.db2.gz BYHUWPQUXSBQCE-LBPRGKRZSA-N 2 1 275.356 0.939 20 30 CCEDMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C[N@H+]1C1CC1 ZINC000424137640 330275030 /nfs/dbraw/zinc/27/50/30/330275030.db2.gz BCJJHBOCRFKSBA-NTZNESFSSA-N 2 1 264.373 0.749 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000424140407 330280627 /nfs/dbraw/zinc/28/06/27/330280627.db2.gz FWZSMOYYKFVFDM-ZDUSSCGKSA-N 2 1 264.373 0.704 20 30 CCEDMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1C[C@@H](C)O ZINC000424149227 330295786 /nfs/dbraw/zinc/29/57/86/330295786.db2.gz VYJRFEBHPIIWSV-MGPQQGTHSA-N 2 1 296.415 0.311 20 30 CCEDMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424156147 330303737 /nfs/dbraw/zinc/30/37/37/330303737.db2.gz NQTNIWQVMRTRGV-VXGBXAGGSA-N 2 1 254.378 0.854 20 30 CCEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]2C1 ZINC000424177846 330317742 /nfs/dbraw/zinc/31/77/42/330317742.db2.gz VCLJHNIYNGVZFA-UPJWGTAASA-N 2 1 264.373 0.560 20 30 CCEDMP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424216704 330329024 /nfs/dbraw/zinc/32/90/24/330329024.db2.gz JDTYJRVYMFBKJQ-ZDUSSCGKSA-N 2 1 296.415 0.577 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000491073414 332147176 /nfs/dbraw/zinc/14/71/76/332147176.db2.gz YWEWOWIPCVYYSO-GFCCVEGCSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000491073414 332147177 /nfs/dbraw/zinc/14/71/77/332147177.db2.gz YWEWOWIPCVYYSO-GFCCVEGCSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000491203180 332165214 /nfs/dbraw/zinc/16/52/14/332165214.db2.gz TWOGTUARENVNAK-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000491203180 332165216 /nfs/dbraw/zinc/16/52/16/332165216.db2.gz TWOGTUARENVNAK-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000491326910 332190899 /nfs/dbraw/zinc/19/08/99/332190899.db2.gz RIBPUOLGIBTHLZ-KGLIPLIRSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000491326910 332190900 /nfs/dbraw/zinc/19/09/00/332190900.db2.gz RIBPUOLGIBTHLZ-KGLIPLIRSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000491326910 332190901 /nfs/dbraw/zinc/19/09/01/332190901.db2.gz RIBPUOLGIBTHLZ-KGLIPLIRSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000491380671 332200721 /nfs/dbraw/zinc/20/07/21/332200721.db2.gz ANLTWWIMTQUFAC-RYUDHWBXSA-N 2 1 252.362 0.073 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000491464792 332216934 /nfs/dbraw/zinc/21/69/34/332216934.db2.gz TXEYBEQZAIEAJY-KGLIPLIRSA-N 2 1 280.416 0.758 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000491537970 332232957 /nfs/dbraw/zinc/23/29/57/332232957.db2.gz VORKGGKYJDNFTB-AWEZNQCLSA-N 2 1 282.432 0.969 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC000491537970 332232958 /nfs/dbraw/zinc/23/29/58/332232958.db2.gz VORKGGKYJDNFTB-AWEZNQCLSA-N 2 1 282.432 0.969 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC000491537970 332232959 /nfs/dbraw/zinc/23/29/59/332232959.db2.gz VORKGGKYJDNFTB-AWEZNQCLSA-N 2 1 282.432 0.969 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000491627881 332251273 /nfs/dbraw/zinc/25/12/73/332251273.db2.gz MXAOIPJQXFYLTA-UHFFFAOYSA-N 2 1 278.356 0.278 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000491627881 332251274 /nfs/dbraw/zinc/25/12/74/332251274.db2.gz MXAOIPJQXFYLTA-UHFFFAOYSA-N 2 1 278.356 0.278 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000189390717 333191662 /nfs/dbraw/zinc/19/16/62/333191662.db2.gz TXTYZEZLHGIPMB-UHFFFAOYSA-N 2 1 293.411 0.170 20 30 CCEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC000190005469 333201658 /nfs/dbraw/zinc/20/16/58/333201658.db2.gz RSOLMCPRDCKJMS-ZIAGYGMSSA-N 2 1 296.415 0.353 20 30 CCEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC000190005469 333201660 /nfs/dbraw/zinc/20/16/60/333201660.db2.gz RSOLMCPRDCKJMS-ZIAGYGMSSA-N 2 1 296.415 0.353 20 30 CCEDMP C[C@H]1CN=C(N[NH+]=Cc2ccc(N(C)CCO)cc2)N1 ZINC000779804113 581207397 /nfs/dbraw/zinc/20/73/97/581207397.db2.gz AMCDUCCBFDGDHA-NSHDSACASA-N 2 1 275.356 0.386 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000730273599 581689019 /nfs/dbraw/zinc/68/90/19/581689019.db2.gz ZMDFDLWOKDGUHD-INIZCTEOSA-N 2 1 298.390 0.828 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000730273599 581689022 /nfs/dbraw/zinc/68/90/22/581689022.db2.gz ZMDFDLWOKDGUHD-INIZCTEOSA-N 2 1 298.390 0.828 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000730279367 581689738 /nfs/dbraw/zinc/68/97/38/581689738.db2.gz XEGLOQMMSSSUGC-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000730279367 581689741 /nfs/dbraw/zinc/68/97/41/581689741.db2.gz XEGLOQMMSSSUGC-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000764505085 582052814 /nfs/dbraw/zinc/05/28/14/582052814.db2.gz GMDXZGUMNMUHHK-UHFFFAOYSA-N 2 1 282.432 0.200 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000968850527 612962857 /nfs/dbraw/zinc/96/28/57/612962857.db2.gz BVIQVQJHGDGJKN-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC1([NH2+]C[C@H](O)C[N@@H+](C)CCOC)CCOCC1 ZINC000887122213 612970672 /nfs/dbraw/zinc/97/06/72/612970672.db2.gz ONKOXNOSDVESGK-AWEZNQCLSA-N 2 1 284.400 0.088 20 30 CCEDMP C#CCC1([NH2+]C[C@H](O)C[N@H+](C)CCOC)CCOCC1 ZINC000887122213 612970674 /nfs/dbraw/zinc/97/06/74/612970674.db2.gz ONKOXNOSDVESGK-AWEZNQCLSA-N 2 1 284.400 0.088 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000969366257 612961907 /nfs/dbraw/zinc/96/19/07/612961907.db2.gz RTXLFWZUBIZRMS-CYBMUJFWSA-N 2 1 286.379 0.586 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000981333602 613003512 /nfs/dbraw/zinc/00/35/12/613003512.db2.gz SADZZURKXAINCW-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC12CC[NH+](C)CC2 ZINC000895056353 613073901 /nfs/dbraw/zinc/07/39/01/613073901.db2.gz HXMYFRJJSJJDSB-UHFFFAOYSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861635031 613076180 /nfs/dbraw/zinc/07/61/80/613076180.db2.gz XNTNRZBOPTWXON-CYBMUJFWSA-N 2 1 278.400 0.525 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905271208 613078370 /nfs/dbraw/zinc/07/83/70/613078370.db2.gz ALBXQNPIMTXKNX-HNNXBMFYSA-N 2 1 282.428 0.977 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905271208 613078371 /nfs/dbraw/zinc/07/83/71/613078371.db2.gz ALBXQNPIMTXKNX-HNNXBMFYSA-N 2 1 282.428 0.977 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000971682204 613091827 /nfs/dbraw/zinc/09/18/27/613091827.db2.gz MBNBLLQOZZCUBE-KBPBESRZSA-N 2 1 286.379 0.926 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000971682204 613091829 /nfs/dbraw/zinc/09/18/29/613091829.db2.gz MBNBLLQOZZCUBE-KBPBESRZSA-N 2 1 286.379 0.926 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969799349 613116950 /nfs/dbraw/zinc/11/69/50/613116950.db2.gz WBJUVJYXXBADAN-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000969799349 613116951 /nfs/dbraw/zinc/11/69/51/613116951.db2.gz WBJUVJYXXBADAN-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000916851057 613133775 /nfs/dbraw/zinc/13/37/75/613133775.db2.gz LLDHLYHTICJTPQ-CYBMUJFWSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000982016798 613142668 /nfs/dbraw/zinc/14/26/68/613142668.db2.gz WDJKCAXGCIZXLW-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000923567396 613181518 /nfs/dbraw/zinc/18/15/18/613181518.db2.gz YVLLXIPASGOTKS-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000923567396 613181519 /nfs/dbraw/zinc/18/15/19/613181519.db2.gz YVLLXIPASGOTKS-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974584013 613281580 /nfs/dbraw/zinc/28/15/80/613281580.db2.gz CBFDUIGBOXBZOS-HUUCEWRRSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977584794 613282379 /nfs/dbraw/zinc/28/23/79/613282379.db2.gz FVCYQWMJATUFIE-QWHCGFSZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977584794 613282380 /nfs/dbraw/zinc/28/23/80/613282380.db2.gz FVCYQWMJATUFIE-QWHCGFSZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977584794 613282381 /nfs/dbraw/zinc/28/23/81/613282381.db2.gz FVCYQWMJATUFIE-QWHCGFSZSA-N 2 1 263.385 0.398 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905098770 613304763 /nfs/dbraw/zinc/30/47/63/613304763.db2.gz WWCHBTZGXICLEL-HZPDHXFCSA-N 2 1 298.427 0.519 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCCO ZINC000849033942 613346337 /nfs/dbraw/zinc/34/63/37/613346337.db2.gz FWLCVDZABCMIMA-GFCCVEGCSA-N 2 1 254.378 0.523 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000907887606 613364849 /nfs/dbraw/zinc/36/48/49/613364849.db2.gz PUUAPKMWIAKEMA-UHFFFAOYSA-N 2 1 251.374 0.872 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928085264 613366851 /nfs/dbraw/zinc/36/68/51/613366851.db2.gz HGFJOSDIQMREAC-OLZOCXBDSA-N 2 1 283.441 0.800 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000876750972 613388172 /nfs/dbraw/zinc/38/81/72/613388172.db2.gz KYAHIKYVCQUWJC-NWDGAFQWSA-N 2 1 289.807 0.683 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000876764292 613390141 /nfs/dbraw/zinc/39/01/41/613390141.db2.gz UIXVSOADBSLGNN-JTQLQIEISA-N 2 1 285.779 0.572 20 30 CCEDMP C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442388 613399103 /nfs/dbraw/zinc/39/91/03/613399103.db2.gz FVZJQQCZPQQCGW-XQQFMLRXSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[C@@H](C(=O)OC)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931442388 613399104 /nfs/dbraw/zinc/39/91/04/613399104.db2.gz FVZJQQCZPQQCGW-XQQFMLRXSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[C@@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442388 613399107 /nfs/dbraw/zinc/39/91/07/613399107.db2.gz FVZJQQCZPQQCGW-XQQFMLRXSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CC[C@@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442388 613399108 /nfs/dbraw/zinc/39/91/08/613399108.db2.gz FVZJQQCZPQQCGW-XQQFMLRXSA-N 2 1 252.358 0.988 20 30 CCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970876218 613482711 /nfs/dbraw/zinc/48/27/11/613482711.db2.gz DFQNMECQIODMGU-CHWSQXEVSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961155340 613563573 /nfs/dbraw/zinc/56/35/73/613563573.db2.gz ZWUHAQXSDPQKAO-NHAGDIPZSA-N 2 1 274.368 0.814 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961155340 613563576 /nfs/dbraw/zinc/56/35/76/613563576.db2.gz ZWUHAQXSDPQKAO-NHAGDIPZSA-N 2 1 274.368 0.814 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000959966389 613564315 /nfs/dbraw/zinc/56/43/15/613564315.db2.gz LSBLVCRBKBXHAI-ZSAUSMIDSA-N 2 1 277.412 0.949 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959966389 613564316 /nfs/dbraw/zinc/56/43/16/613564316.db2.gz LSBLVCRBKBXHAI-ZSAUSMIDSA-N 2 1 277.412 0.949 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959966389 613564317 /nfs/dbraw/zinc/56/43/17/613564317.db2.gz LSBLVCRBKBXHAI-ZSAUSMIDSA-N 2 1 277.412 0.949 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000962593967 613564841 /nfs/dbraw/zinc/56/48/41/613564841.db2.gz VFMSXMMSDVPMCJ-IGQOVBAYSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962593967 613564844 /nfs/dbraw/zinc/56/48/44/613564844.db2.gz VFMSXMMSDVPMCJ-IGQOVBAYSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962593967 613564847 /nfs/dbraw/zinc/56/48/47/613564847.db2.gz VFMSXMMSDVPMCJ-IGQOVBAYSA-N 2 1 263.385 0.561 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000962758530 613637371 /nfs/dbraw/zinc/63/73/71/613637371.db2.gz WXAUPZUZYLTKRP-QXSJWSMHSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC000962758530 613637373 /nfs/dbraw/zinc/63/73/73/613637373.db2.gz WXAUPZUZYLTKRP-QXSJWSMHSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC000962758530 613637375 /nfs/dbraw/zinc/63/73/75/613637375.db2.gz WXAUPZUZYLTKRP-QXSJWSMHSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962587949 613637573 /nfs/dbraw/zinc/63/75/73/613637573.db2.gz LZXMGDAJIJDJND-IGQOVBAYSA-N 2 1 261.369 0.008 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000962587949 613637575 /nfs/dbraw/zinc/63/75/75/613637575.db2.gz LZXMGDAJIJDJND-IGQOVBAYSA-N 2 1 261.369 0.008 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962587949 613637577 /nfs/dbraw/zinc/63/75/77/613637577.db2.gz LZXMGDAJIJDJND-IGQOVBAYSA-N 2 1 261.369 0.008 20 30 CCEDMP C=CC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)COC ZINC000923387870 613651471 /nfs/dbraw/zinc/65/14/71/613651471.db2.gz ZVQLOFPDXUKYOO-QWHCGFSZSA-N 2 1 254.374 0.888 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000905096931 613675909 /nfs/dbraw/zinc/67/59/09/613675909.db2.gz NCARKJMIGHZTEK-AWEZNQCLSA-N 2 1 284.400 0.129 20 30 CCEDMP C=CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981208730 613692935 /nfs/dbraw/zinc/69/29/35/613692935.db2.gz BSFNEUMRBZXDMU-CABCVRRESA-N 2 1 293.411 0.570 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000981208730 613692937 /nfs/dbraw/zinc/69/29/37/613692937.db2.gz BSFNEUMRBZXDMU-CABCVRRESA-N 2 1 293.411 0.570 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000981208730 613692938 /nfs/dbraw/zinc/69/29/38/613692938.db2.gz BSFNEUMRBZXDMU-CABCVRRESA-N 2 1 293.411 0.570 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978149228 613835502 /nfs/dbraw/zinc/83/55/02/613835502.db2.gz VPIDTRHPRUPKDS-YHUYYLMFSA-N 2 1 289.423 0.808 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000961583208 613839315 /nfs/dbraw/zinc/83/93/15/613839315.db2.gz SVLRDNCUNZVOPR-LJISPDSOSA-N 2 1 293.411 0.328 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000961583208 613839316 /nfs/dbraw/zinc/83/93/16/613839316.db2.gz SVLRDNCUNZVOPR-LJISPDSOSA-N 2 1 293.411 0.328 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000961583208 613839317 /nfs/dbraw/zinc/83/93/17/613839317.db2.gz SVLRDNCUNZVOPR-LJISPDSOSA-N 2 1 293.411 0.328 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000961583208 613839318 /nfs/dbraw/zinc/83/93/18/613839318.db2.gz SVLRDNCUNZVOPR-LJISPDSOSA-N 2 1 293.411 0.328 20 30 CCEDMP CCNC(NC[C@H]1CCC[N@H+]1CCCO)=[NH+]CC ZINC000849033855 614420620 /nfs/dbraw/zinc/42/06/20/614420620.db2.gz CFVMQACJPSRHLT-GFCCVEGCSA-N 2 1 256.394 0.408 20 30 CCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000844194411 614663521 /nfs/dbraw/zinc/66/35/21/614663521.db2.gz GPDNOVWGFCRENH-IJLUTSLNSA-N 2 1 250.346 0.089 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884176319 615132410 /nfs/dbraw/zinc/13/24/10/615132410.db2.gz CENYDMQELWYASJ-IOSBVQAASA-N 2 1 290.411 0.726 20 30 CCEDMP CC[NH+]1CCN(CCCCNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000848990066 615157042 /nfs/dbraw/zinc/15/70/42/615157042.db2.gz WWEUDDZJRSTSFV-CYBMUJFWSA-N 2 1 267.421 0.341 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000913522736 615860884 /nfs/dbraw/zinc/86/08/84/615860884.db2.gz WSNDGLAEJKLQKE-UHFFFAOYSA-N 2 1 290.367 0.565 20 30 CCEDMP C[N@@H+](CCOCC[NH3+])C[C@H](O)COc1ccccc1C#N ZINC000923403816 616115889 /nfs/dbraw/zinc/11/58/89/616115889.db2.gz RRSCWGLZYPRJHF-AWEZNQCLSA-N 2 1 293.367 0.205 20 30 CCEDMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[C@@H]21 ZINC000870981005 616321861 /nfs/dbraw/zinc/32/18/61/616321861.db2.gz FDOLUKZCMPRSAC-RDBSUJKOSA-N 2 1 278.400 0.950 20 30 CCEDMP COCC[N@@H+](C[C@H](O)CC#N)CC1CC[NH+](C)CC1 ZINC000931380978 616991206 /nfs/dbraw/zinc/99/12/06/616991206.db2.gz QEROCMCZPBIBMR-CQSZACIVSA-N 2 1 269.389 0.551 20 30 CCEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001026608611 625479896 /nfs/dbraw/zinc/47/98/96/625479896.db2.gz FQSJLAPTEKCYGY-YMAMQOFZSA-N 2 1 295.427 0.910 20 30 CCEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001026608611 625479897 /nfs/dbraw/zinc/47/98/97/625479897.db2.gz FQSJLAPTEKCYGY-YMAMQOFZSA-N 2 1 295.427 0.910 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001023275666 622977243 /nfs/dbraw/zinc/97/72/43/622977243.db2.gz QNGUJRZHEJRSEJ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022069714 624870672 /nfs/dbraw/zinc/87/06/72/624870672.db2.gz NTRRBVBJJWNZGI-HZSPNIEDSA-N 2 1 263.385 0.729 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022121219 624876304 /nfs/dbraw/zinc/87/63/04/624876304.db2.gz AMVCMXUCLYYNIJ-RFQIPJPRSA-N 2 1 279.384 0.272 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=C)C)C1 ZINC001022220432 624894280 /nfs/dbraw/zinc/89/42/80/624894280.db2.gz CIGVOIIAXMVVRL-ZNMIVQPWSA-N 2 1 275.396 0.897 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=C)C)C1 ZINC001022220432 624894282 /nfs/dbraw/zinc/89/42/82/624894282.db2.gz CIGVOIIAXMVVRL-ZNMIVQPWSA-N 2 1 275.396 0.897 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001022220403 624894393 /nfs/dbraw/zinc/89/43/93/624894393.db2.gz BPUFCJGLGLKJDO-ZNMIVQPWSA-N 2 1 275.396 0.731 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001022220403 624894396 /nfs/dbraw/zinc/89/43/96/624894396.db2.gz BPUFCJGLGLKJDO-ZNMIVQPWSA-N 2 1 275.396 0.731 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001000000792 625810260 /nfs/dbraw/zinc/81/02/60/625810260.db2.gz RGIRDDKFGPYUMT-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001000000792 625810261 /nfs/dbraw/zinc/81/02/61/625810261.db2.gz RGIRDDKFGPYUMT-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001027464287 625898092 /nfs/dbraw/zinc/89/80/92/625898092.db2.gz KTHLOTVGYUVNNK-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001027464287 625898096 /nfs/dbraw/zinc/89/80/96/625898096.db2.gz KTHLOTVGYUVNNK-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001027464287 625898098 /nfs/dbraw/zinc/89/80/98/625898098.db2.gz KTHLOTVGYUVNNK-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027464287 625898104 /nfs/dbraw/zinc/89/81/04/625898104.db2.gz KTHLOTVGYUVNNK-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027806330 630935328 /nfs/dbraw/zinc/93/53/28/630935328.db2.gz GGCRBFKMWAGCRJ-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027806330 630935332 /nfs/dbraw/zinc/93/53/32/630935332.db2.gz GGCRBFKMWAGCRJ-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027806330 630935338 /nfs/dbraw/zinc/93/53/38/630935338.db2.gz GGCRBFKMWAGCRJ-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027806330 630935344 /nfs/dbraw/zinc/93/53/44/630935344.db2.gz GGCRBFKMWAGCRJ-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NC[C@@]1(C)CCCO1 ZINC000261848228 631650274 /nfs/dbraw/zinc/65/02/74/631650274.db2.gz XQOFEZQZFJJSNS-CQSZACIVSA-N 2 1 279.388 0.926 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000985432090 632479188 /nfs/dbraw/zinc/47/91/88/632479188.db2.gz CRABLWORRXIFQY-MRXNPFEDSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCF)CC1 ZINC000985476933 632506942 /nfs/dbraw/zinc/50/69/42/632506942.db2.gz XAHUFHYGUPNDAM-HNNXBMFYSA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCF)CC1 ZINC000985476933 632506957 /nfs/dbraw/zinc/50/69/57/632506957.db2.gz XAHUFHYGUPNDAM-HNNXBMFYSA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCF)CC1 ZINC000985476933 632506966 /nfs/dbraw/zinc/50/69/66/632506966.db2.gz XAHUFHYGUPNDAM-HNNXBMFYSA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCF)CC1 ZINC000985476933 632506973 /nfs/dbraw/zinc/50/69/73/632506973.db2.gz XAHUFHYGUPNDAM-HNNXBMFYSA-N 2 1 295.402 0.976 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C)COC1 ZINC000304750570 632516449 /nfs/dbraw/zinc/51/64/49/632516449.db2.gz IOGAWBTYFYPQQE-LLVKDONJSA-N 2 1 254.378 0.412 20 30 CCEDMP C=CC[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989491304 633318009 /nfs/dbraw/zinc/31/80/09/633318009.db2.gz WNWVNLWFWODSSM-UHFFFAOYSA-N 2 1 263.385 0.803 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC000989802309 633353784 /nfs/dbraw/zinc/35/37/84/633353784.db2.gz GHRLHRVBKDKCSL-YPMHNXCESA-N 2 1 260.341 0.404 20 30 CCEDMP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC000989803509 633355437 /nfs/dbraw/zinc/35/54/37/633355437.db2.gz UKGSALNMBFAIPV-DGCLKSJQSA-N 2 1 262.357 0.957 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001009203482 650140199 /nfs/dbraw/zinc/14/01/99/650140199.db2.gz RKHYSTITVUEAMW-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000170914726 637105236 /nfs/dbraw/zinc/10/52/36/637105236.db2.gz KKGAMTIPSXYOJS-GFCCVEGCSA-N 2 1 277.372 0.919 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC(=O)N(C)C ZINC000170910268 637105256 /nfs/dbraw/zinc/10/52/56/637105256.db2.gz UXNQMESYGIPGLY-LBPRGKRZSA-N 2 1 283.420 0.243 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994248429 637892663 /nfs/dbraw/zinc/89/26/63/637892663.db2.gz FFOFRMJJLNRKAK-KGLIPLIRSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994248429 637892667 /nfs/dbraw/zinc/89/26/67/637892667.db2.gz FFOFRMJJLNRKAK-KGLIPLIRSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000996728351 638830497 /nfs/dbraw/zinc/83/04/97/638830497.db2.gz JBEBSBQWOQLKSP-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001014507661 650457793 /nfs/dbraw/zinc/45/77/93/650457793.db2.gz KIGWLCAOLWITOQ-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001014507661 650457795 /nfs/dbraw/zinc/45/77/95/650457795.db2.gz KIGWLCAOLWITOQ-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001014507661 650457796 /nfs/dbraw/zinc/45/77/96/650457796.db2.gz KIGWLCAOLWITOQ-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000999862143 639011275 /nfs/dbraw/zinc/01/12/75/639011275.db2.gz MBTCISPTEYUYBN-RUXDESIVSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000999862143 639011281 /nfs/dbraw/zinc/01/12/81/639011281.db2.gz MBTCISPTEYUYBN-RUXDESIVSA-N 2 1 281.400 0.472 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001014727490 650482369 /nfs/dbraw/zinc/48/23/69/650482369.db2.gz IMKSYYJACJXVNJ-QWHCGFSZSA-N 2 1 272.352 0.584 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001014727490 650482370 /nfs/dbraw/zinc/48/23/70/650482370.db2.gz IMKSYYJACJXVNJ-QWHCGFSZSA-N 2 1 272.352 0.584 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001014727488 650482502 /nfs/dbraw/zinc/48/25/02/650482502.db2.gz IMKSYYJACJXVNJ-CHWSQXEVSA-N 2 1 272.352 0.584 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001014727488 650482504 /nfs/dbraw/zinc/48/25/04/650482504.db2.gz IMKSYYJACJXVNJ-CHWSQXEVSA-N 2 1 272.352 0.584 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014925133 650503756 /nfs/dbraw/zinc/50/37/56/650503756.db2.gz OPYACUVLOWYOKW-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014925133 650503758 /nfs/dbraw/zinc/50/37/58/650503758.db2.gz OPYACUVLOWYOKW-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014925133 650503759 /nfs/dbraw/zinc/50/37/59/650503759.db2.gz OPYACUVLOWYOKW-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014925133 650503761 /nfs/dbraw/zinc/50/37/61/650503761.db2.gz OPYACUVLOWYOKW-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001005208710 639889159 /nfs/dbraw/zinc/88/91/59/639889159.db2.gz GRQVCKHGAJDTFD-HNNXBMFYSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001005208710 639889162 /nfs/dbraw/zinc/88/91/62/639889162.db2.gz GRQVCKHGAJDTFD-HNNXBMFYSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015604987 650590030 /nfs/dbraw/zinc/59/00/30/650590030.db2.gz DUICFGNZGZEHNC-IHRRRGAJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001015604987 650590032 /nfs/dbraw/zinc/59/00/32/650590032.db2.gz DUICFGNZGZEHNC-IHRRRGAJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015604987 650590034 /nfs/dbraw/zinc/59/00/34/650590034.db2.gz DUICFGNZGZEHNC-IHRRRGAJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015604987 650590036 /nfs/dbraw/zinc/59/00/36/650590036.db2.gz DUICFGNZGZEHNC-IHRRRGAJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015712945 650614562 /nfs/dbraw/zinc/61/45/62/650614562.db2.gz KKBBLUXQGQLWHI-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015712945 650614563 /nfs/dbraw/zinc/61/45/63/650614563.db2.gz KKBBLUXQGQLWHI-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015712945 650614564 /nfs/dbraw/zinc/61/45/64/650614564.db2.gz KKBBLUXQGQLWHI-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016253050 650705762 /nfs/dbraw/zinc/70/57/62/650705762.db2.gz XBCLPMQIYQOAFJ-ZDUSSCGKSA-N 2 1 251.374 0.849 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001016736712 650756312 /nfs/dbraw/zinc/75/63/12/650756312.db2.gz ILCBSYXBHOBOFR-CQSZACIVSA-N 2 1 286.379 0.795 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001017943964 650835764 /nfs/dbraw/zinc/83/57/64/650835764.db2.gz JGHLMKTWOJGAHD-WCVJEAGWSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001017943964 650835768 /nfs/dbraw/zinc/83/57/68/650835768.db2.gz JGHLMKTWOJGAHD-WCVJEAGWSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001017943964 650835771 /nfs/dbraw/zinc/83/57/71/650835771.db2.gz JGHLMKTWOJGAHD-WCVJEAGWSA-N 2 1 289.423 0.883 20 30 CCEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001018271641 650851199 /nfs/dbraw/zinc/85/11/99/650851199.db2.gz USGYZUHTVHSHJH-MCIONIFRSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001018271641 650851201 /nfs/dbraw/zinc/85/12/01/650851201.db2.gz USGYZUHTVHSHJH-MCIONIFRSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001018271641 650851202 /nfs/dbraw/zinc/85/12/02/650851202.db2.gz USGYZUHTVHSHJH-MCIONIFRSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001018271641 650851204 /nfs/dbraw/zinc/85/12/04/650851204.db2.gz USGYZUHTVHSHJH-MCIONIFRSA-N 2 1 263.385 0.799 20 30 CCEDMP C[C@H]1CCCC[N@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852858706 644027526 /nfs/dbraw/zinc/02/75/26/644027526.db2.gz GMDDOSZGNGVHPL-AWEZNQCLSA-N 2 1 277.412 0.980 20 30 CCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852872817 644035496 /nfs/dbraw/zinc/03/54/96/644035496.db2.gz RRIBZQIXVUADQJ-DOMZBBRYSA-N 2 1 275.396 0.588 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCF)C1 ZINC001018985745 650927028 /nfs/dbraw/zinc/92/70/28/650927028.db2.gz CFZDPHHZUHVXMI-STQMWFEESA-N 2 1 267.348 0.244 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCF)C1 ZINC001018985745 650927029 /nfs/dbraw/zinc/92/70/29/650927029.db2.gz CFZDPHHZUHVXMI-STQMWFEESA-N 2 1 267.348 0.244 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001019076025 650936011 /nfs/dbraw/zinc/93/60/11/650936011.db2.gz IBWUOGRKDCCGBL-LSDHHAIUSA-N 2 1 277.412 0.931 20 30 CCEDMP CCOCCCNC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000187855477 649336622 /nfs/dbraw/zinc/33/66/22/649336622.db2.gz VGLMXCYHSZAOMQ-UHFFFAOYSA-N 2 1 272.393 0.040 20 30 CCEDMP CCOCCCNC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000187855477 649336626 /nfs/dbraw/zinc/33/66/26/649336626.db2.gz VGLMXCYHSZAOMQ-UHFFFAOYSA-N 2 1 272.393 0.040 20 30 CCEDMP CCNC(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)=[NH+]CC ZINC000195522027 649602182 /nfs/dbraw/zinc/60/21/82/649602182.db2.gz KHSHWRWRMKOIRH-CYBMUJFWSA-N 2 1 270.421 0.918 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)OC ZINC000304745618 649838137 /nfs/dbraw/zinc/83/81/37/649838137.db2.gz FGXYKGVTOWDHRA-NSHDSACASA-N 2 1 256.394 0.800 20 30 CCEDMP CCN(CC)C(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304761265 649838800 /nfs/dbraw/zinc/83/88/00/649838800.db2.gz UDQZOEOOTUCKOR-GFCCVEGCSA-N 2 1 256.394 0.611 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001039041713 790450371 /nfs/dbraw/zinc/45/03/71/790450371.db2.gz AINISOXDFJTDHL-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001039041713 790450378 /nfs/dbraw/zinc/45/03/78/790450378.db2.gz AINISOXDFJTDHL-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039041713 790450384 /nfs/dbraw/zinc/45/03/84/790450384.db2.gz AINISOXDFJTDHL-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039041713 790450389 /nfs/dbraw/zinc/45/03/89/790450389.db2.gz AINISOXDFJTDHL-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266323082 790503637 /nfs/dbraw/zinc/50/36/37/790503637.db2.gz UPGYFBAUEZOVNQ-GFCCVEGCSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266323082 790503647 /nfs/dbraw/zinc/50/36/47/790503647.db2.gz UPGYFBAUEZOVNQ-GFCCVEGCSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266323082 790503658 /nfs/dbraw/zinc/50/36/58/790503658.db2.gz UPGYFBAUEZOVNQ-GFCCVEGCSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266326664 790511688 /nfs/dbraw/zinc/51/16/88/790511688.db2.gz GQOPZJORMJCJIY-OAHLLOKOSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CCC[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266413021 790659418 /nfs/dbraw/zinc/65/94/18/790659418.db2.gz GYRSAZJOCCAXLR-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038137910 791251517 /nfs/dbraw/zinc/25/15/17/791251517.db2.gz SOHQFUFHTCOIAY-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038137910 791251486 /nfs/dbraw/zinc/25/14/86/791251486.db2.gz SOHQFUFHTCOIAY-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038137910 791251496 /nfs/dbraw/zinc/25/14/96/791251496.db2.gz SOHQFUFHTCOIAY-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038137910 791251504 /nfs/dbraw/zinc/25/15/04/791251504.db2.gz SOHQFUFHTCOIAY-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001266817270 791261916 /nfs/dbraw/zinc/26/19/16/791261916.db2.gz PUYAPLIQFSAFON-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266879427 791318242 /nfs/dbraw/zinc/31/82/42/791318242.db2.gz WGLSFCOJOGSZHB-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266965462 791404847 /nfs/dbraw/zinc/40/48/47/791404847.db2.gz UPQADHLLMLKLAY-TZMCWYRMSA-N 2 1 288.395 0.872 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001267113218 791554248 /nfs/dbraw/zinc/55/42/48/791554248.db2.gz GTQSJPULRGJCNW-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001267113218 791554258 /nfs/dbraw/zinc/55/42/58/791554258.db2.gz GTQSJPULRGJCNW-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001267113218 791554265 /nfs/dbraw/zinc/55/42/65/791554265.db2.gz GTQSJPULRGJCNW-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001267130066 791575087 /nfs/dbraw/zinc/57/50/87/791575087.db2.gz CFEIXJZABRTKAL-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038251899 793226885 /nfs/dbraw/zinc/22/68/85/793226885.db2.gz IYNHRVKEYOGWBH-ZIAGYGMSSA-N 2 1 263.385 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038251899 793226891 /nfs/dbraw/zinc/22/68/91/793226891.db2.gz IYNHRVKEYOGWBH-ZIAGYGMSSA-N 2 1 263.385 0.705 20 30 CCEDMP N#Cc1ccc(CCN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1 ZINC001234981947 806325609 /nfs/dbraw/zinc/32/56/09/806325609.db2.gz PZRYALWUSQSSMP-INIZCTEOSA-N 2 1 270.380 0.738 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001277915554 806342339 /nfs/dbraw/zinc/34/23/39/806342339.db2.gz AEGKTIGJUVKHBO-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC001121293300 799027936 /nfs/dbraw/zinc/02/79/36/799027936.db2.gz ZFNTXTSOKZEKJW-HRCADAONSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC001122203093 799168048 /nfs/dbraw/zinc/16/80/48/799168048.db2.gz JXFMEGDLQQZURG-GFCCVEGCSA-N 2 1 257.337 0.688 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149850064 800303181 /nfs/dbraw/zinc/30/31/81/800303181.db2.gz YJEOWZWEVYRQIJ-CABCVRRESA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149850064 800303187 /nfs/dbraw/zinc/30/31/87/800303187.db2.gz YJEOWZWEVYRQIJ-CABCVRRESA-N 2 1 293.411 0.167 20 30 CCEDMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC#CCOC)[NH+](C)C ZINC001154000928 800701934 /nfs/dbraw/zinc/70/19/34/800701934.db2.gz MPVWAAKNVFSQIG-HUUCEWRRSA-N 2 1 297.443 0.803 20 30 CCEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155838879 801063225 /nfs/dbraw/zinc/06/32/25/801063225.db2.gz FSWUOHMZXUPQMQ-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155838879 801063230 /nfs/dbraw/zinc/06/32/30/801063230.db2.gz FSWUOHMZXUPQMQ-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158036296 801557785 /nfs/dbraw/zinc/55/77/85/801557785.db2.gz BOEXDFIBAIIDLU-LSDHHAIUSA-N 2 1 277.412 0.980 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158487415 801659224 /nfs/dbraw/zinc/65/92/24/801659224.db2.gz ZFWOWLLROAHDJX-KGLIPLIRSA-N 2 1 281.400 0.522 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001159846707 801879946 /nfs/dbraw/zinc/87/99/46/801879946.db2.gz RQCSEJARHBREKU-AWEZNQCLSA-N 2 1 265.401 0.693 20 30 CCEDMP CC[C@H](CC#N)[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001255175572 808325622 /nfs/dbraw/zinc/32/56/22/808325622.db2.gz RFOODUCYFDLFJB-CYBMUJFWSA-N 2 1 266.389 0.775 20 30 CCEDMP CC[C@H](CC#N)[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001255175572 808325630 /nfs/dbraw/zinc/32/56/30/808325630.db2.gz RFOODUCYFDLFJB-CYBMUJFWSA-N 2 1 266.389 0.775 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164536284 802758480 /nfs/dbraw/zinc/75/84/80/802758480.db2.gz PIWWSEBBUNXXRX-AWEZNQCLSA-N 2 1 281.400 0.215 20 30 CCEDMP Cc1[nH+]c(N2CC(=O)NC3(CC[NH2+]CC3)C2)ccc1CC#N ZINC001165255199 802805244 /nfs/dbraw/zinc/80/52/44/802805244.db2.gz PIGLONKJQPICDU-UHFFFAOYSA-N 2 1 299.378 0.515 20 30 CCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001276439936 803063548 /nfs/dbraw/zinc/06/35/48/803063548.db2.gz NAKHNTAJIMFNSY-AWEZNQCLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001205526175 803145245 /nfs/dbraw/zinc/14/52/45/803145245.db2.gz HXYZUURUUOTLQP-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP N#Cc1cccc2c(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)c[nH]c21 ZINC001206520276 803258198 /nfs/dbraw/zinc/25/81/98/803258198.db2.gz SHUWLBSYUOFWMK-FZMZJTMJSA-N 2 1 270.336 0.791 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208572042 803524630 /nfs/dbraw/zinc/52/46/30/803524630.db2.gz JBPJXSGHWUBYCK-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP Cn1cnc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1C#N ZINC001210263301 803644274 /nfs/dbraw/zinc/64/42/74/803644274.db2.gz WQWVCUUBTSAORV-UHFFFAOYSA-N 2 1 283.339 0.840 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210494864 803652387 /nfs/dbraw/zinc/65/23/87/803652387.db2.gz YIHPETRGZRBJGA-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@H](OC)C1 ZINC001213798675 803704461 /nfs/dbraw/zinc/70/44/61/803704461.db2.gz LWGYDSNQCJPIKQ-ZIAGYGMSSA-N 2 1 292.383 0.354 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216757719 803855037 /nfs/dbraw/zinc/85/50/37/803855037.db2.gz JUSOGNFFLWMNOX-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557566 804003456 /nfs/dbraw/zinc/00/34/56/804003456.db2.gz DCQXUYXQDQUYIF-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557566 804003460 /nfs/dbraw/zinc/00/34/60/804003460.db2.gz DCQXUYXQDQUYIF-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220289761 804564578 /nfs/dbraw/zinc/56/45/78/804564578.db2.gz CORCMIAOWBIDOL-QLFBSQMISA-N 2 1 297.443 0.700 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369779 804583754 /nfs/dbraw/zinc/58/37/54/804583754.db2.gz QPIKBOXXTQMKHW-KGLIPLIRSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369779 804583757 /nfs/dbraw/zinc/58/37/57/804583757.db2.gz QPIKBOXXTQMKHW-KGLIPLIRSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369779 804583760 /nfs/dbraw/zinc/58/37/60/804583760.db2.gz QPIKBOXXTQMKHW-KGLIPLIRSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001276816107 804664644 /nfs/dbraw/zinc/66/46/44/804664644.db2.gz YFHVSCVILDTACA-GXTWGEPZSA-N 2 1 290.367 0.030 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001276876484 804962018 /nfs/dbraw/zinc/96/20/18/804962018.db2.gz UIRIAGRYROCRBW-CQSZACIVSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001276876484 804962024 /nfs/dbraw/zinc/96/20/24/804962024.db2.gz UIRIAGRYROCRBW-CQSZACIVSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001277020181 805107908 /nfs/dbraw/zinc/10/79/08/805107908.db2.gz MQNXTEFMFUSOPV-GFCCVEGCSA-N 2 1 251.374 0.895 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225524664 805138445 /nfs/dbraw/zinc/13/84/45/805138445.db2.gz IKMPKBCESXVWRN-KFWWJZLASA-N 2 1 293.411 0.357 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225524664 805138451 /nfs/dbraw/zinc/13/84/51/805138451.db2.gz IKMPKBCESXVWRN-KFWWJZLASA-N 2 1 293.411 0.357 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)C(C)C ZINC001246001853 807112006 /nfs/dbraw/zinc/11/20/06/807112006.db2.gz PDJZCGVEOVZHSL-QWHCGFSZSA-N 2 1 272.389 0.820 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN(CC)C1 ZINC001246302120 807213923 /nfs/dbraw/zinc/21/39/23/807213923.db2.gz ALBVGEZHVVFFEG-KBPBESRZSA-N 2 1 283.416 0.897 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCOCC1 ZINC001246304447 807215439 /nfs/dbraw/zinc/21/54/39/807215439.db2.gz CRVCQQXALSNJOE-ZDUSSCGKSA-N 2 1 270.373 0.982 20 30 CCEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246486206 807261714 /nfs/dbraw/zinc/26/17/14/807261714.db2.gz DOUGZLARAYAPSQ-WFASDCNBSA-N 2 1 258.369 0.640 20 30 CCEDMP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NO ZINC001246515622 807270386 /nfs/dbraw/zinc/27/03/86/807270386.db2.gz CWPBGLBCWIZVKU-MBYGNEARSA-N 2 1 255.362 0.779 20 30 CCEDMP C=CCOC[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC001252465843 807876864 /nfs/dbraw/zinc/87/68/64/807876864.db2.gz KFYKLHYBUVWRJU-AWEZNQCLSA-N 2 1 256.390 0.968 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001252465843 807876872 /nfs/dbraw/zinc/87/68/72/807876872.db2.gz KFYKLHYBUVWRJU-AWEZNQCLSA-N 2 1 256.390 0.968 20 30 CCEDMP C=C[C@](C)(O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252560309 807910832 /nfs/dbraw/zinc/91/08/32/807910832.db2.gz QXVDYUYNOKZVGP-AWEZNQCLSA-N 2 1 269.389 0.019 20 30 CCEDMP C=C[C@H](O)C[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001253588157 808092369 /nfs/dbraw/zinc/09/23/69/808092369.db2.gz SZODPZPFQAEFFI-HNNXBMFYSA-N 2 1 267.417 0.493 20 30 CCEDMP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001278737972 808126965 /nfs/dbraw/zinc/12/69/65/808126965.db2.gz XJRBBMXOKKSJBW-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278787884 808244646 /nfs/dbraw/zinc/24/46/46/808244646.db2.gz XJYMNMCUALZLAQ-HNNXBMFYSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001278786443 808245099 /nfs/dbraw/zinc/24/50/99/808245099.db2.gz CQPZKYUFWAIWRQ-ZBFHGGJFSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001278786443 808245103 /nfs/dbraw/zinc/24/51/03/808245103.db2.gz CQPZKYUFWAIWRQ-ZBFHGGJFSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001278786443 808245106 /nfs/dbraw/zinc/24/51/06/808245106.db2.gz CQPZKYUFWAIWRQ-ZBFHGGJFSA-N 2 1 293.411 0.047 20 30 CCEDMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@H]1CC[C@H](C#N)C1 ZINC001254667543 808271405 /nfs/dbraw/zinc/27/14/05/808271405.db2.gz BKWITBUKZXMHCQ-KBPBESRZSA-N 2 1 250.390 0.858 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001278803925 808274616 /nfs/dbraw/zinc/27/46/16/808274616.db2.gz JJPOHJXXQZJEAP-UONOGXRCSA-N 2 1 283.416 0.313 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278815498 808281210 /nfs/dbraw/zinc/28/12/10/808281210.db2.gz FNGITXLCCMBOHY-GOEBONIOSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001278827438 808298228 /nfs/dbraw/zinc/29/82/28/808298228.db2.gz NKRBLCDPGKTYEM-ZIAGYGMSSA-N 2 1 283.416 0.313 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001263875292 809596040 /nfs/dbraw/zinc/59/60/40/809596040.db2.gz NCUNVYIUZSCEGG-AVGNSLFASA-N 2 1 274.368 0.706 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001263995746 809619398 /nfs/dbraw/zinc/61/93/98/809619398.db2.gz KLMNEHYBXINOBJ-FRRDWIJNSA-N 2 1 251.374 0.561 20 30 CCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264077091 809628835 /nfs/dbraw/zinc/62/88/35/809628835.db2.gz SPIOWFWFQZCELE-HUUCEWRRSA-N 2 1 295.427 0.245 20 30 CCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001264111262 809630719 /nfs/dbraw/zinc/63/07/19/809630719.db2.gz DEMIIKGHQILTBM-UHFFFAOYSA-N 2 1 293.411 0.122 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)OC)C1 ZINC001265543204 809801778 /nfs/dbraw/zinc/80/17/78/809801778.db2.gz GOQNFLRJTXOMMR-XQLPTFJDSA-N 2 1 293.411 0.356 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)OC)C1 ZINC001265543204 809801785 /nfs/dbraw/zinc/80/17/85/809801785.db2.gz GOQNFLRJTXOMMR-XQLPTFJDSA-N 2 1 293.411 0.356 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001279396052 809977627 /nfs/dbraw/zinc/97/76/27/809977627.db2.gz RHUGZWWCJHNCNM-GASCZTMLSA-N 2 1 291.439 0.988 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001279396052 809977630 /nfs/dbraw/zinc/97/76/30/809977630.db2.gz RHUGZWWCJHNCNM-GASCZTMLSA-N 2 1 291.439 0.988 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001279396052 809977633 /nfs/dbraw/zinc/97/76/33/809977633.db2.gz RHUGZWWCJHNCNM-GASCZTMLSA-N 2 1 291.439 0.988 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001279635937 809989886 /nfs/dbraw/zinc/98/98/86/809989886.db2.gz FHKQAZOHKOOJEG-AWEZNQCLSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001279635937 809989890 /nfs/dbraw/zinc/98/98/90/809989890.db2.gz FHKQAZOHKOOJEG-AWEZNQCLSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001279635937 809989893 /nfs/dbraw/zinc/98/98/93/809989893.db2.gz FHKQAZOHKOOJEG-AWEZNQCLSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001279629252 809990432 /nfs/dbraw/zinc/99/04/32/809990432.db2.gz VXCUBTRBJMVSNV-UHFFFAOYSA-N 2 1 263.385 0.710 20 30 CCEDMP C[NH+](C)CC1(O)CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000721567483 811210100 /nfs/dbraw/zinc/21/01/00/811210100.db2.gz YDPGCJAEMLBRMS-UHFFFAOYSA-N 2 1 274.368 0.842 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077003137 815431132 /nfs/dbraw/zinc/43/11/32/815431132.db2.gz URYMCVJZNZWUSI-RBSFLKMASA-N 2 1 293.411 0.066 20 30 CCEDMP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001267429189 811299706 /nfs/dbraw/zinc/29/97/06/811299706.db2.gz RWSFOBQFERBMDX-ZDUSSCGKSA-N 2 1 276.384 0.988 20 30 CCEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267639009 811600814 /nfs/dbraw/zinc/60/08/14/811600814.db2.gz WPKSGPGIBHXRNS-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267639009 811600817 /nfs/dbraw/zinc/60/08/17/811600817.db2.gz WPKSGPGIBHXRNS-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267639009 811600820 /nfs/dbraw/zinc/60/08/20/811600820.db2.gz WPKSGPGIBHXRNS-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267768710 811765183 /nfs/dbraw/zinc/76/51/83/811765183.db2.gz RPFVXIRONZJUEE-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267768710 811765189 /nfs/dbraw/zinc/76/51/89/811765189.db2.gz RPFVXIRONZJUEE-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267768710 811765196 /nfs/dbraw/zinc/76/51/96/811765196.db2.gz RPFVXIRONZJUEE-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001268026134 811998522 /nfs/dbraw/zinc/99/85/22/811998522.db2.gz HOUOJCBBWPFLMQ-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001268028639 812015770 /nfs/dbraw/zinc/01/57/70/812015770.db2.gz KSLMYMFORHUMKC-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001268028639 812015779 /nfs/dbraw/zinc/01/57/79/812015779.db2.gz KSLMYMFORHUMKC-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001268028639 812015787 /nfs/dbraw/zinc/01/57/87/812015787.db2.gz KSLMYMFORHUMKC-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268057847 812158293 /nfs/dbraw/zinc/15/82/93/812158293.db2.gz RWYOMCHAYKEAGN-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268057847 812158299 /nfs/dbraw/zinc/15/82/99/812158299.db2.gz RWYOMCHAYKEAGN-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CCn2ccnc2)C1 ZINC001268216234 812368563 /nfs/dbraw/zinc/36/85/63/812368563.db2.gz CMIZIIRQDFHJPY-AWEZNQCLSA-N 2 1 274.368 0.877 20 30 CCEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001268235734 812398032 /nfs/dbraw/zinc/39/80/32/812398032.db2.gz NTOPGJGGXMHUPS-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001268235734 812398039 /nfs/dbraw/zinc/39/80/39/812398039.db2.gz NTOPGJGGXMHUPS-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001268552190 812791975 /nfs/dbraw/zinc/79/19/75/812791975.db2.gz KIMIXSVCDNUZTO-JZIMQPMSSA-N 2 1 275.396 0.756 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001268552190 812791979 /nfs/dbraw/zinc/79/19/79/812791979.db2.gz KIMIXSVCDNUZTO-JZIMQPMSSA-N 2 1 275.396 0.756 20 30 CCEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028549994 812830495 /nfs/dbraw/zinc/83/04/95/812830495.db2.gz DSEUPZHPTPHVPC-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549994 812830502 /nfs/dbraw/zinc/83/05/02/812830502.db2.gz DSEUPZHPTPHVPC-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549994 812830514 /nfs/dbraw/zinc/83/05/14/812830514.db2.gz DSEUPZHPTPHVPC-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001268747564 813061425 /nfs/dbraw/zinc/06/14/25/813061425.db2.gz SBUOYYBNRAZHQE-OCCSQVGLSA-N 2 1 288.395 0.824 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001268747564 813061431 /nfs/dbraw/zinc/06/14/31/813061431.db2.gz SBUOYYBNRAZHQE-OCCSQVGLSA-N 2 1 288.395 0.824 20 30 CCEDMP CC#CC[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001268758578 813068239 /nfs/dbraw/zinc/06/82/39/813068239.db2.gz XUHQCGHKNRSTFF-GFCCVEGCSA-N 2 1 262.357 0.651 20 30 CCEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001268758578 813068248 /nfs/dbraw/zinc/06/82/48/813068248.db2.gz XUHQCGHKNRSTFF-GFCCVEGCSA-N 2 1 262.357 0.651 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001268900916 813138397 /nfs/dbraw/zinc/13/83/97/813138397.db2.gz QMWCNLUAQZBWPI-ZDUSSCGKSA-N 2 1 251.374 0.254 20 30 CCEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001269148484 813241408 /nfs/dbraw/zinc/24/14/08/813241408.db2.gz DHCBZGNFODYYEK-KGLIPLIRSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001269148484 813241415 /nfs/dbraw/zinc/24/14/15/813241415.db2.gz DHCBZGNFODYYEK-KGLIPLIRSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001269383060 813350739 /nfs/dbraw/zinc/35/07/39/813350739.db2.gz GPODYSBMRPPDDQ-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001269383060 813350744 /nfs/dbraw/zinc/35/07/44/813350744.db2.gz GPODYSBMRPPDDQ-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001270304093 813716038 /nfs/dbraw/zinc/71/60/38/813716038.db2.gz OBGYASRBQAFKCG-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001270595891 813830830 /nfs/dbraw/zinc/83/08/30/813830830.db2.gz QSFGPYHNADITDU-GFCCVEGCSA-N 2 1 262.357 0.557 20 30 CCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001270659284 813878133 /nfs/dbraw/zinc/87/81/33/813878133.db2.gz SDZAKDQNNLHEMV-AWEZNQCLSA-N 2 1 251.374 0.849 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001271066845 814136041 /nfs/dbraw/zinc/13/60/41/814136041.db2.gz AUSMGHDRTFYAEF-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171765 814440624 /nfs/dbraw/zinc/44/06/24/814440624.db2.gz FYJUFMOCOYYOOK-CABCVRRESA-N 2 1 287.407 0.496 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001088494884 814745057 /nfs/dbraw/zinc/74/50/57/814745057.db2.gz RPNVMRTZSQTVSI-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001088494884 814745060 /nfs/dbraw/zinc/74/50/60/814745060.db2.gz RPNVMRTZSQTVSI-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088494884 814745066 /nfs/dbraw/zinc/74/50/66/814745066.db2.gz RPNVMRTZSQTVSI-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001088494884 814745070 /nfs/dbraw/zinc/74/50/70/814745070.db2.gz RPNVMRTZSQTVSI-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645266 815593213 /nfs/dbraw/zinc/59/32/13/815593213.db2.gz SEOOTJIJHHBSHZ-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645266 815593219 /nfs/dbraw/zinc/59/32/19/815593219.db2.gz SEOOTJIJHHBSHZ-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(Cl)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168442794 816468350 /nfs/dbraw/zinc/46/83/50/816468350.db2.gz ZIUYYNZEUPSRAE-UHFFFAOYSA-N 2 1 289.807 0.557 20 30 CCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031596808 817173902 /nfs/dbraw/zinc/17/39/02/817173902.db2.gz PJGMRVDQXGFEGZ-AWEZNQCLSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031596808 817173908 /nfs/dbraw/zinc/17/39/08/817173908.db2.gz PJGMRVDQXGFEGZ-AWEZNQCLSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001047380567 817436157 /nfs/dbraw/zinc/43/61/57/817436157.db2.gz PHBWXBQOKLBMCD-KKUMJFAQSA-N 2 1 295.427 0.549 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047380567 817436164 /nfs/dbraw/zinc/43/61/64/817436164.db2.gz PHBWXBQOKLBMCD-KKUMJFAQSA-N 2 1 295.427 0.549 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047380567 817436169 /nfs/dbraw/zinc/43/61/69/817436169.db2.gz PHBWXBQOKLBMCD-KKUMJFAQSA-N 2 1 295.427 0.549 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047380567 817436174 /nfs/dbraw/zinc/43/61/74/817436174.db2.gz PHBWXBQOKLBMCD-KKUMJFAQSA-N 2 1 295.427 0.549 20 30 CCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001032202717 817697811 /nfs/dbraw/zinc/69/78/11/817697811.db2.gz UIJAATRIRKFTBQ-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001032202717 817697814 /nfs/dbraw/zinc/69/78/14/817697814.db2.gz UIJAATRIRKFTBQ-OAHLLOKOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077678983 817983934 /nfs/dbraw/zinc/98/39/34/817983934.db2.gz DJDCONJUZWXVBE-BFHYXJOUSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077678983 817983937 /nfs/dbraw/zinc/98/39/37/817983937.db2.gz DJDCONJUZWXVBE-BFHYXJOUSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077678983 817983940 /nfs/dbraw/zinc/98/39/40/817983940.db2.gz DJDCONJUZWXVBE-BFHYXJOUSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077678983 817983946 /nfs/dbraw/zinc/98/39/46/817983946.db2.gz DJDCONJUZWXVBE-BFHYXJOUSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)CN1CC2(C[NH+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030642 818487377 /nfs/dbraw/zinc/48/73/77/818487377.db2.gz NEGQTEOUOKGKQG-UHFFFAOYSA-N 2 1 293.411 0.475 20 30 CCEDMP C#CC[NH2+]CC[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001273090908 818591951 /nfs/dbraw/zinc/59/19/51/818591951.db2.gz QFAXSHRZNJQDPG-ZDUSSCGKSA-N 2 1 297.362 0.999 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033196702 818636640 /nfs/dbraw/zinc/63/66/40/818636640.db2.gz FHXFFGGIISCELV-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033196702 818636644 /nfs/dbraw/zinc/63/66/44/818636644.db2.gz FHXFFGGIISCELV-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033196702 818636649 /nfs/dbraw/zinc/63/66/49/818636649.db2.gz FHXFFGGIISCELV-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033196702 818636654 /nfs/dbraw/zinc/63/66/54/818636654.db2.gz FHXFFGGIISCELV-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033583638 818846358 /nfs/dbraw/zinc/84/63/58/818846358.db2.gz WZWUJHAUJHHSFB-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033583638 818846362 /nfs/dbraw/zinc/84/63/62/818846362.db2.gz WZWUJHAUJHHSFB-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033583638 818846365 /nfs/dbraw/zinc/84/63/65/818846365.db2.gz WZWUJHAUJHHSFB-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001034312036 819164271 /nfs/dbraw/zinc/16/42/71/819164271.db2.gz NBFSZWZJOKUMLY-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001034312036 819164276 /nfs/dbraw/zinc/16/42/76/819164276.db2.gz NBFSZWZJOKUMLY-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034535818 819234447 /nfs/dbraw/zinc/23/44/47/819234447.db2.gz VYCAHZCTQAHYTK-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535818 819234449 /nfs/dbraw/zinc/23/44/49/819234449.db2.gz VYCAHZCTQAHYTK-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535818 819234456 /nfs/dbraw/zinc/23/44/56/819234456.db2.gz VYCAHZCTQAHYTK-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535818 819234459 /nfs/dbraw/zinc/23/44/59/819234459.db2.gz VYCAHZCTQAHYTK-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001034798396 819333707 /nfs/dbraw/zinc/33/37/07/819333707.db2.gz FQSJLAPTEKCYGY-RBSFLKMASA-N 2 1 295.427 0.910 20 30 CCEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001034798396 819333712 /nfs/dbraw/zinc/33/37/12/819333712.db2.gz FQSJLAPTEKCYGY-RBSFLKMASA-N 2 1 295.427 0.910 20 30 CCEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035710221 819613588 /nfs/dbraw/zinc/61/35/88/819613588.db2.gz KWNCVKCCPKEVQW-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035794211 819625702 /nfs/dbraw/zinc/62/57/02/819625702.db2.gz ANCCXZIBWMYFNM-GJZGRUSLSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080779606 820637632 /nfs/dbraw/zinc/63/76/32/820637632.db2.gz UNJZVEGXYDEAFD-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001080779606 820637638 /nfs/dbraw/zinc/63/76/38/820637638.db2.gz UNJZVEGXYDEAFD-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080779606 820637642 /nfs/dbraw/zinc/63/76/42/820637642.db2.gz UNJZVEGXYDEAFD-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368559 820948830 /nfs/dbraw/zinc/94/88/30/820948830.db2.gz GYJHOIUACHVCLF-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082368559 820948838 /nfs/dbraw/zinc/94/88/38/820948838.db2.gz GYJHOIUACHVCLF-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082368559 820948849 /nfs/dbraw/zinc/94/88/49/820948849.db2.gz GYJHOIUACHVCLF-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082458622 820981694 /nfs/dbraw/zinc/98/16/94/820981694.db2.gz XFXCXZPGXQMBJS-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082458622 820981699 /nfs/dbraw/zinc/98/16/99/820981699.db2.gz XFXCXZPGXQMBJS-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082933940 821065368 /nfs/dbraw/zinc/06/53/68/821065368.db2.gz PXTOFRFZCVNADY-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082933940 821065374 /nfs/dbraw/zinc/06/53/74/821065374.db2.gz PXTOFRFZCVNADY-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084830577 821404309 /nfs/dbraw/zinc/40/43/09/821404309.db2.gz ZKNXTJYBFCFTRK-HZSPNIEDSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084830577 821404313 /nfs/dbraw/zinc/40/43/13/821404313.db2.gz ZKNXTJYBFCFTRK-HZSPNIEDSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084830577 821404316 /nfs/dbraw/zinc/40/43/16/821404316.db2.gz ZKNXTJYBFCFTRK-HZSPNIEDSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830577 821404319 /nfs/dbraw/zinc/40/43/19/821404319.db2.gz ZKNXTJYBFCFTRK-HZSPNIEDSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830577 821404322 /nfs/dbraw/zinc/40/43/22/821404322.db2.gz ZKNXTJYBFCFTRK-HZSPNIEDSA-N 2 1 261.369 0.104 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084832148 821406976 /nfs/dbraw/zinc/40/69/76/821406976.db2.gz REIWHZSATAEECR-HUUCEWRRSA-N 2 1 275.396 0.638 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084832148 821406979 /nfs/dbraw/zinc/40/69/79/821406979.db2.gz REIWHZSATAEECR-HUUCEWRRSA-N 2 1 275.396 0.638 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086332105 822212412 /nfs/dbraw/zinc/21/24/12/822212412.db2.gz SHGMJAYBBOYKTA-MGPQQGTHSA-N 2 1 281.400 0.378 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086332105 822212420 /nfs/dbraw/zinc/21/24/20/822212420.db2.gz SHGMJAYBBOYKTA-MGPQQGTHSA-N 2 1 281.400 0.378 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086364365 822227528 /nfs/dbraw/zinc/22/75/28/822227528.db2.gz AXMVIOLUIJOUJW-RBSFLKMASA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CC(F)(F)C1 ZINC001129770287 837558386 /nfs/dbraw/zinc/55/83/86/837558386.db2.gz DLZLCVDLTBZMMP-ZDUSSCGKSA-N 2 1 299.365 0.835 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CC(F)(F)C1 ZINC001129770287 837558394 /nfs/dbraw/zinc/55/83/94/837558394.db2.gz DLZLCVDLTBZMMP-ZDUSSCGKSA-N 2 1 299.365 0.835 20 30 CCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001183399033 844013485 /nfs/dbraw/zinc/01/34/85/844013485.db2.gz LYQBJVMWHCQDLV-CZUORRHYSA-N 2 1 288.395 0.899 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129362677 836523099 /nfs/dbraw/zinc/52/30/99/836523099.db2.gz BPXZMOOLJNLIJV-HNNXBMFYSA-N 2 1 295.427 0.912 20 30 CCEDMP CCOC(=O)[C@@H](C#N)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001170372982 837327817 /nfs/dbraw/zinc/32/78/17/837327817.db2.gz CXTFMTOPQLLCIX-GFCCVEGCSA-N 2 1 299.334 0.888 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132353342 838365977 /nfs/dbraw/zinc/36/59/77/838365977.db2.gz FNAVUZFSGXAOLU-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132353342 838365981 /nfs/dbraw/zinc/36/59/81/838365981.db2.gz FNAVUZFSGXAOLU-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426042 838393282 /nfs/dbraw/zinc/39/32/82/838393282.db2.gz RDMYUQPIADBPMN-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001132738458 838480475 /nfs/dbraw/zinc/48/04/75/838480475.db2.gz DPDWNWDHEDNTGO-AWEZNQCLSA-N 2 1 265.401 0.838 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133313254 838597523 /nfs/dbraw/zinc/59/75/23/838597523.db2.gz BYXFMUJQTHFNBS-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133865532 838755253 /nfs/dbraw/zinc/75/52/53/838755253.db2.gz FCPKJNSLEHHSPM-GXSJLCMTSA-N 2 1 259.781 0.642 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001133922128 838780969 /nfs/dbraw/zinc/78/09/69/838780969.db2.gz QZRVTVNKZRTHPM-UHFFFAOYSA-N 2 1 287.407 0.890 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135103259 839162559 /nfs/dbraw/zinc/16/25/59/839162559.db2.gz ZEBZWAWWTRMHFD-KBPBESRZSA-N 2 1 263.385 0.732 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092272298 841004629 /nfs/dbraw/zinc/00/46/29/841004629.db2.gz DBJWLLPFJDNVEW-INMHGKMJSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272298 841004634 /nfs/dbraw/zinc/00/46/34/841004634.db2.gz DBJWLLPFJDNVEW-INMHGKMJSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272298 841004644 /nfs/dbraw/zinc/00/46/44/841004644.db2.gz DBJWLLPFJDNVEW-INMHGKMJSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735050 841063124 /nfs/dbraw/zinc/06/31/24/841063124.db2.gz NWNWROXVPVZSAG-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C[C@H](CCCC#N)[NH2+]CCC[NH+](CCO)CCO ZINC001172480054 841931438 /nfs/dbraw/zinc/93/14/38/841931438.db2.gz MGAWYDLRWSXXAE-CYBMUJFWSA-N 2 1 257.378 0.335 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182827 843111513 /nfs/dbraw/zinc/11/15/13/843111513.db2.gz QIOBVQWXHILSDA-KKUMJFAQSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182827 843111521 /nfs/dbraw/zinc/11/15/21/843111521.db2.gz QIOBVQWXHILSDA-KKUMJFAQSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181652145 843567142 /nfs/dbraw/zinc/56/71/42/843567142.db2.gz JYLMZRHVBKLPGK-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001183085796 843962033 /nfs/dbraw/zinc/96/20/33/843962033.db2.gz JRYAGLJBVZSFFF-UHFFFAOYSA-N 2 1 294.443 0.392 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC=C)C1 ZINC001183361401 844006712 /nfs/dbraw/zinc/00/67/12/844006712.db2.gz STTABYLTOCFBBM-CABCVRRESA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC=C)C1 ZINC001183361401 844006720 /nfs/dbraw/zinc/00/67/20/844006720.db2.gz STTABYLTOCFBBM-CABCVRRESA-N 2 1 275.396 0.851 20 30 CCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191376492 845644057 /nfs/dbraw/zinc/64/40/57/845644057.db2.gz QUYLHIQUCUGZHQ-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191376492 845644062 /nfs/dbraw/zinc/64/40/62/845644062.db2.gz QUYLHIQUCUGZHQ-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192144189 845798335 /nfs/dbraw/zinc/79/83/35/845798335.db2.gz RYMJKYCWLVXKHX-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832053 846969568 /nfs/dbraw/zinc/96/95/68/846969568.db2.gz IDCANGLWLJGQFZ-UHFFFAOYSA-N 2 1 281.400 0.122 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832053 846969575 /nfs/dbraw/zinc/96/95/75/846969575.db2.gz IDCANGLWLJGQFZ-UHFFFAOYSA-N 2 1 281.400 0.122 20 30 CCEDMP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001251890360 847349271 /nfs/dbraw/zinc/34/92/71/847349271.db2.gz ADATWFMCDGAFCW-CQSZACIVSA-N 2 1 252.358 0.214 20 30 CCEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001273895022 847783883 /nfs/dbraw/zinc/78/38/83/847783883.db2.gz ZUOJJJDHCZRPEF-HOCLYGCPSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114358384 848026321 /nfs/dbraw/zinc/02/63/21/848026321.db2.gz UYDUGWDXUZBODM-RFQIPJPRSA-N 2 1 281.375 0.346 20 30 CCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1C ZINC001274577857 848510641 /nfs/dbraw/zinc/51/06/41/848510641.db2.gz DEIYENAVLQVXRO-ONEGZZNKSA-N 2 1 290.367 0.103 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCF ZINC001275850631 848844905 /nfs/dbraw/zinc/84/49/05/848844905.db2.gz QADGOYYDXLOZKT-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCF ZINC001275850631 848844909 /nfs/dbraw/zinc/84/49/09/848844909.db2.gz QADGOYYDXLOZKT-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCF ZINC001275850631 848844916 /nfs/dbraw/zinc/84/49/16/848844916.db2.gz QADGOYYDXLOZKT-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCF ZINC001275850631 848844920 /nfs/dbraw/zinc/84/49/20/848844920.db2.gz QADGOYYDXLOZKT-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114741548 849383652 /nfs/dbraw/zinc/38/36/52/849383652.db2.gz RGCITUBIGXEVDI-WDNDVIMCSA-N 2 1 277.412 0.951 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114851318 849439775 /nfs/dbraw/zinc/43/97/75/849439775.db2.gz CCOWGMBAPCQSTQ-RFQIPJPRSA-N 2 1 263.385 0.396 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001038628590 849722852 /nfs/dbraw/zinc/72/28/52/849722852.db2.gz RMRPPWZZZOODCI-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038628590 849722857 /nfs/dbraw/zinc/72/28/57/849722857.db2.gz RMRPPWZZZOODCI-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038628590 849722863 /nfs/dbraw/zinc/72/28/63/849722863.db2.gz RMRPPWZZZOODCI-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001048859989 852088088 /nfs/dbraw/zinc/08/80/88/852088088.db2.gz BUCAJCDPTNJKNV-OKILXGFUSA-N 2 1 275.396 0.494 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001048891627 852099720 /nfs/dbraw/zinc/09/97/20/852099720.db2.gz SKPBXJNCAIWMSV-HZSPNIEDSA-N 2 1 265.401 0.903 20 30 CCEDMP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001097852013 852631407 /nfs/dbraw/zinc/63/14/07/852631407.db2.gz QOQLCQYXJYWCHN-TUVASFSCSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001097852013 852631411 /nfs/dbraw/zinc/63/14/11/852631411.db2.gz QOQLCQYXJYWCHN-TUVASFSCSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001097852013 852631415 /nfs/dbraw/zinc/63/14/15/852631415.db2.gz QOQLCQYXJYWCHN-TUVASFSCSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001097852013 852631421 /nfs/dbraw/zinc/63/14/21/852631421.db2.gz QOQLCQYXJYWCHN-TUVASFSCSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071994293 854331687 /nfs/dbraw/zinc/33/16/87/854331687.db2.gz DVIMTPRPGHERRF-UONOGXRCSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071994293 854331693 /nfs/dbraw/zinc/33/16/93/854331693.db2.gz DVIMTPRPGHERRF-UONOGXRCSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072813619 854469858 /nfs/dbraw/zinc/46/98/58/854469858.db2.gz YWISKQGZBWFAEL-CQSZACIVSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813525 854470562 /nfs/dbraw/zinc/47/05/62/854470562.db2.gz VHOXVBLJIAEURX-CQSZACIVSA-N 2 1 298.390 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813525 854470566 /nfs/dbraw/zinc/47/05/66/854470566.db2.gz VHOXVBLJIAEURX-CQSZACIVSA-N 2 1 298.390 0.928 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073129212 854536677 /nfs/dbraw/zinc/53/66/77/854536677.db2.gz MJUJMOPABRGOKA-UHFFFAOYSA-N 2 1 287.407 0.640 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073128302 854536766 /nfs/dbraw/zinc/53/67/66/854536766.db2.gz YZOLKKSEVGGGGS-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001073128302 854536769 /nfs/dbraw/zinc/53/67/69/854536769.db2.gz YZOLKKSEVGGGGS-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073128302 854536773 /nfs/dbraw/zinc/53/67/73/854536773.db2.gz YZOLKKSEVGGGGS-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001098759026 854883861 /nfs/dbraw/zinc/88/38/61/854883861.db2.gz AQNITEMAUUEYSC-LZWOXQAQSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001098759026 854883865 /nfs/dbraw/zinc/88/38/65/854883865.db2.gz AQNITEMAUUEYSC-LZWOXQAQSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001098759026 854883868 /nfs/dbraw/zinc/88/38/68/854883868.db2.gz AQNITEMAUUEYSC-LZWOXQAQSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001098759026 854883869 /nfs/dbraw/zinc/88/38/69/854883869.db2.gz AQNITEMAUUEYSC-LZWOXQAQSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099528740 854935613 /nfs/dbraw/zinc/93/56/13/854935613.db2.gz IUVGAHPGFXCASS-FZKCQIBNSA-N 2 1 289.423 0.740 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899697 855023994 /nfs/dbraw/zinc/02/39/94/855023994.db2.gz XBSGJYPCMNNMDZ-KBPBESRZSA-N 2 1 295.427 0.291 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099899697 855023980 /nfs/dbraw/zinc/02/39/80/855023980.db2.gz XBSGJYPCMNNMDZ-KBPBESRZSA-N 2 1 295.427 0.291 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899697 855023988 /nfs/dbraw/zinc/02/39/88/855023988.db2.gz XBSGJYPCMNNMDZ-KBPBESRZSA-N 2 1 295.427 0.291 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100041394 855080654 /nfs/dbraw/zinc/08/06/54/855080654.db2.gz IUZWFGXHKFICSD-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100085799 855097850 /nfs/dbraw/zinc/09/78/50/855097850.db2.gz QYDSNULDNVORBJ-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100085799 855097856 /nfs/dbraw/zinc/09/78/56/855097856.db2.gz QYDSNULDNVORBJ-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100085799 855097860 /nfs/dbraw/zinc/09/78/60/855097860.db2.gz QYDSNULDNVORBJ-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100125332 855101967 /nfs/dbraw/zinc/10/19/67/855101967.db2.gz WETMYWOPMHUNEE-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100125332 855101968 /nfs/dbraw/zinc/10/19/68/855101968.db2.gz WETMYWOPMHUNEE-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001101009548 855254310 /nfs/dbraw/zinc/25/43/10/855254310.db2.gz VKOVVKJHUJYHKD-NRXISQOPSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001101009548 855254312 /nfs/dbraw/zinc/25/43/12/855254312.db2.gz VKOVVKJHUJYHKD-NRXISQOPSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114992075 855633439 /nfs/dbraw/zinc/63/34/39/855633439.db2.gz ODAUJWZSMMJTSM-IMRBUKKESA-N 2 1 251.374 0.561 20 30 CCEDMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC001118060426 856149951 /nfs/dbraw/zinc/14/99/51/856149951.db2.gz BJHADERBUVBAJL-CQSZACIVSA-N 2 1 295.431 0.103 20 30 CCEDMP C[NH2+]C[C@@H](O)C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001118242296 856219044 /nfs/dbraw/zinc/21/90/44/856219044.db2.gz CWTZUCAHMLCLSJ-CYBMUJFWSA-N 2 1 276.340 0.057 20 30 CCEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001324705736 912988980 /nfs/dbraw/zinc/98/89/80/912988980.db2.gz IPABNZBFWMREMD-HOCLYGCPSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001324705736 912988990 /nfs/dbraw/zinc/98/89/90/912988990.db2.gz IPABNZBFWMREMD-HOCLYGCPSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COCCOC)CC1 ZINC001346251819 891477356 /nfs/dbraw/zinc/47/73/56/891477356.db2.gz PEJXTWDZCFVFGA-OAHLLOKOSA-N 2 1 284.400 0.088 20 30 CCEDMP C#CCC[N@@H+](CC)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001480996293 892031047 /nfs/dbraw/zinc/03/10/47/892031047.db2.gz RYMWNVSLCKCSKA-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001481122998 892196683 /nfs/dbraw/zinc/19/66/83/892196683.db2.gz GBSLLBLIWBMQBS-CQSZACIVSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001481123422 892198777 /nfs/dbraw/zinc/19/87/77/892198777.db2.gz IEIBEFFDHBFOMV-LSDHHAIUSA-N 2 1 293.411 0.026 20 30 CCEDMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001481217891 892371242 /nfs/dbraw/zinc/37/12/42/892371242.db2.gz TWZSACQXTXLFBX-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001481217891 892371257 /nfs/dbraw/zinc/37/12/57/892371257.db2.gz TWZSACQXTXLFBX-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481498145 892748287 /nfs/dbraw/zinc/74/82/87/892748287.db2.gz ODCWXIRPFVEVOV-HUUCEWRRSA-N 2 1 279.428 0.986 20 30 CCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481538701 892783215 /nfs/dbraw/zinc/78/32/15/892783215.db2.gz OHLOVRPQVXEJCY-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481538701 892783222 /nfs/dbraw/zinc/78/32/22/892783222.db2.gz OHLOVRPQVXEJCY-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001481538701 892783231 /nfs/dbraw/zinc/78/32/31/892783231.db2.gz OHLOVRPQVXEJCY-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481538701 892783237 /nfs/dbraw/zinc/78/32/37/892783237.db2.gz OHLOVRPQVXEJCY-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001481539767 892786769 /nfs/dbraw/zinc/78/67/69/892786769.db2.gz RQYKCKCEGXXRGQ-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001481539767 892786788 /nfs/dbraw/zinc/78/67/88/892786788.db2.gz RQYKCKCEGXXRGQ-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001481539767 892786806 /nfs/dbraw/zinc/78/68/06/892786806.db2.gz RQYKCKCEGXXRGQ-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481539767 892786823 /nfs/dbraw/zinc/78/68/23/892786823.db2.gz RQYKCKCEGXXRGQ-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482066701 893348148 /nfs/dbraw/zinc/34/81/48/893348148.db2.gz GNNUSCYLJLHNEU-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482168427 893455520 /nfs/dbraw/zinc/45/55/20/893455520.db2.gz NIBGYFHWQMNNMX-OLZOCXBDSA-N 2 1 253.390 0.856 20 30 CCEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001482773825 894592333 /nfs/dbraw/zinc/59/23/33/894592333.db2.gz FUBVGFYDMBHZPL-GJZGRUSLSA-N 2 1 297.443 0.892 20 30 CCEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001482847906 894647359 /nfs/dbraw/zinc/64/73/59/894647359.db2.gz KIWZNVXAZMCVCD-LLVKDONJSA-N 2 1 278.356 0.467 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001483175976 895058654 /nfs/dbraw/zinc/05/86/54/895058654.db2.gz YFXQKPWZXKJQNT-CHWSQXEVSA-N 2 1 292.383 0.332 20 30 CCEDMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001483322950 895451522 /nfs/dbraw/zinc/45/15/22/895451522.db2.gz HBKHMZKQAOODCS-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001483322950 895451525 /nfs/dbraw/zinc/45/15/25/895451525.db2.gz HBKHMZKQAOODCS-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483322950 895451529 /nfs/dbraw/zinc/45/15/29/895451529.db2.gz HBKHMZKQAOODCS-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483322950 895451533 /nfs/dbraw/zinc/45/15/33/895451533.db2.gz HBKHMZKQAOODCS-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483340100 895480106 /nfs/dbraw/zinc/48/01/06/895480106.db2.gz XEVNVOVZWDGIMX-HIFRSBDPSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001483598990 895672762 /nfs/dbraw/zinc/67/27/62/895672762.db2.gz PAMJHKBTVLRDFS-ZFWWWQNUSA-N 2 1 277.412 0.836 20 30 CCEDMP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001484311500 896333926 /nfs/dbraw/zinc/33/39/26/896333926.db2.gz AQNYTBPRQKZBST-CQSZACIVSA-N 2 1 297.443 0.844 20 30 CCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484573671 896473091 /nfs/dbraw/zinc/47/30/91/896473091.db2.gz VHRRCCCTGHUSKL-RBSFLKMASA-N 2 1 277.412 0.836 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC)C1 ZINC001485093135 896776599 /nfs/dbraw/zinc/77/65/99/896776599.db2.gz BLPWJBVPBUAFDL-NRXISQOPSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC)C1 ZINC001485093135 896776619 /nfs/dbraw/zinc/77/66/19/896776619.db2.gz BLPWJBVPBUAFDL-NRXISQOPSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001485730312 897216414 /nfs/dbraw/zinc/21/64/14/897216414.db2.gz MADGSZVQPWPKRS-GFCCVEGCSA-N 2 1 292.383 0.858 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCC1 ZINC001326927627 914276626 /nfs/dbraw/zinc/27/66/26/914276626.db2.gz FTMPTOGQWKIXRL-AWEZNQCLSA-N 2 1 295.427 0.912 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCC1 ZINC001326927627 914276640 /nfs/dbraw/zinc/27/66/40/914276640.db2.gz FTMPTOGQWKIXRL-AWEZNQCLSA-N 2 1 295.427 0.912 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001486347267 898824774 /nfs/dbraw/zinc/82/47/74/898824774.db2.gz NNXJNYKAFIZDFK-CABCVRRESA-N 2 1 297.443 0.798 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001486347267 898824787 /nfs/dbraw/zinc/82/47/87/898824787.db2.gz NNXJNYKAFIZDFK-CABCVRRESA-N 2 1 297.443 0.798 20 30 CCEDMP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001486347267 898824800 /nfs/dbraw/zinc/82/48/00/898824800.db2.gz NNXJNYKAFIZDFK-CABCVRRESA-N 2 1 297.443 0.798 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001486388979 898851832 /nfs/dbraw/zinc/85/18/32/898851832.db2.gz HBYPGFLUZCDJBX-QWHCGFSZSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCOC ZINC001486427888 898864381 /nfs/dbraw/zinc/86/43/81/898864381.db2.gz CBKBWNYPYNSCHO-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP C#CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCOC ZINC001486427888 898864392 /nfs/dbraw/zinc/86/43/92/898864392.db2.gz CBKBWNYPYNSCHO-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP C#CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCOC ZINC001486427888 898864412 /nfs/dbraw/zinc/86/44/12/898864412.db2.gz CBKBWNYPYNSCHO-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP C#CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCOC ZINC001486427888 898864424 /nfs/dbraw/zinc/86/44/24/898864424.db2.gz CBKBWNYPYNSCHO-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001490569871 900666472 /nfs/dbraw/zinc/66/64/72/900666472.db2.gz LGGJEGHCTWILKO-STQMWFEESA-N 2 1 253.390 0.949 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001490560795 900669232 /nfs/dbraw/zinc/66/92/32/900669232.db2.gz UIIYCLMHYBIFQB-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001490560795 900669238 /nfs/dbraw/zinc/66/92/38/900669238.db2.gz UIIYCLMHYBIFQB-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001490560795 900669245 /nfs/dbraw/zinc/66/92/45/900669245.db2.gz UIIYCLMHYBIFQB-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@H+](C)CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001492866341 914477850 /nfs/dbraw/zinc/47/78/50/914477850.db2.gz GXBJGFPBVBMYSJ-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)CC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001492866341 914477865 /nfs/dbraw/zinc/47/78/65/914477865.db2.gz GXBJGFPBVBMYSJ-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)CC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001492866341 914477883 /nfs/dbraw/zinc/47/78/83/914477883.db2.gz GXBJGFPBVBMYSJ-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001492866341 914477893 /nfs/dbraw/zinc/47/78/93/914477893.db2.gz GXBJGFPBVBMYSJ-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001492866341 914477907 /nfs/dbraw/zinc/47/79/07/914477907.db2.gz GXBJGFPBVBMYSJ-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001320226662 900919002 /nfs/dbraw/zinc/91/90/02/900919002.db2.gz DPLPCRZMFPBIJF-ZIAGYGMSSA-N 2 1 283.416 0.504 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001491132962 903394448 /nfs/dbraw/zinc/39/44/48/903394448.db2.gz IAYZNXKZOLMMTA-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001491132962 903394465 /nfs/dbraw/zinc/39/44/65/903394465.db2.gz IAYZNXKZOLMMTA-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001491132962 903394478 /nfs/dbraw/zinc/39/44/78/903394478.db2.gz IAYZNXKZOLMMTA-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001282074023 904403371 /nfs/dbraw/zinc/40/33/71/904403371.db2.gz NKPOJXYUFWBSMV-UHFFFAOYSA-N 2 1 260.341 0.309 20 30 CCEDMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001283492169 904874084 /nfs/dbraw/zinc/87/40/84/904874084.db2.gz HHKUTMVMEYHVJD-KGLIPLIRSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001283492169 904874098 /nfs/dbraw/zinc/87/40/98/904874098.db2.gz HHKUTMVMEYHVJD-KGLIPLIRSA-N 2 1 281.400 0.330 20 30 CCEDMP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001283796210 905017542 /nfs/dbraw/zinc/01/75/42/905017542.db2.gz HXLVSLSBTRHLTE-GJZGRUSLSA-N 2 1 295.427 0.198 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001284276946 905228906 /nfs/dbraw/zinc/22/89/06/905228906.db2.gz QSDOFURQUDUDNG-UONOGXRCSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001284276946 905228917 /nfs/dbraw/zinc/22/89/17/905228917.db2.gz QSDOFURQUDUDNG-UONOGXRCSA-N 2 1 293.411 0.167 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001284520643 905356250 /nfs/dbraw/zinc/35/62/50/905356250.db2.gz WAUCISUZSXNAAF-AWEZNQCLSA-N 2 1 285.432 0.654 20 30 CCEDMP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001284520643 905356265 /nfs/dbraw/zinc/35/62/65/905356265.db2.gz WAUCISUZSXNAAF-AWEZNQCLSA-N 2 1 285.432 0.654 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001284520643 905356284 /nfs/dbraw/zinc/35/62/84/905356284.db2.gz WAUCISUZSXNAAF-AWEZNQCLSA-N 2 1 285.432 0.654 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001492143938 907717660 /nfs/dbraw/zinc/71/76/60/907717660.db2.gz NRSZWIDOOOSFLI-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001492143938 907717667 /nfs/dbraw/zinc/71/76/67/907717667.db2.gz NRSZWIDOOOSFLI-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492143938 907717680 /nfs/dbraw/zinc/71/76/80/907717680.db2.gz NRSZWIDOOOSFLI-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492143938 907717685 /nfs/dbraw/zinc/71/76/85/907717685.db2.gz NRSZWIDOOOSFLI-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001316993726 908906177 /nfs/dbraw/zinc/90/61/77/908906177.db2.gz CYFFBHDWWMDCKA-AWEZNQCLSA-N 2 1 263.385 0.686 20 30 CCEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001320262919 910563738 /nfs/dbraw/zinc/56/37/38/910563738.db2.gz KCNDTOHEENQLGY-MELADBBJSA-N 2 1 283.416 0.360 20 30 CCEDMP CC#CC[NH2+]CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001322612629 911880320 /nfs/dbraw/zinc/88/03/20/911880320.db2.gz AZBQKBZTMUSFNX-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001323013481 912071772 /nfs/dbraw/zinc/07/17/72/912071772.db2.gz CJBLFDONQIOSJF-HNNXBMFYSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001329051781 915628050 /nfs/dbraw/zinc/62/80/50/915628050.db2.gz CQXGAWWFMTUGNZ-CHWSQXEVSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](CCC)C2)C1 ZINC001331975894 917775154 /nfs/dbraw/zinc/77/51/54/917775154.db2.gz KANVLAAKZVHIAG-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](CCC)C2)C1 ZINC001331975894 917775165 /nfs/dbraw/zinc/77/51/65/917775165.db2.gz KANVLAAKZVHIAG-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](CCC)C2)C1 ZINC001331975894 917775180 /nfs/dbraw/zinc/77/51/80/917775180.db2.gz KANVLAAKZVHIAG-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](CCC)C2)C1 ZINC001331975894 917775190 /nfs/dbraw/zinc/77/51/90/917775190.db2.gz KANVLAAKZVHIAG-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C=CCNC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958805 348500903 /nfs/dbraw/zinc/50/09/03/348500903.db2.gz YKGFOYAMOVANPD-UHFFFAOYSA-N 2 1 281.400 0.333 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000063178502 348680911 /nfs/dbraw/zinc/68/09/11/348680911.db2.gz GLIXQJBRBPJGEN-HNNXBMFYSA-N 2 1 286.379 0.845 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174348923 351080328 /nfs/dbraw/zinc/08/03/28/351080328.db2.gz KTDBMUCMGIPATD-UHFFFAOYSA-N 2 1 276.340 0.405 20 30 CCEDMP C[NH+]1CCC(O)(C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352808729 356085844 /nfs/dbraw/zinc/08/58/44/356085844.db2.gz DIHBMHGISDNKNC-UHFFFAOYSA-N 2 1 266.370 0.561 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000491704087 358296625 /nfs/dbraw/zinc/29/66/25/358296625.db2.gz KCYDQSPEGYUEPS-OAHLLOKOSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000491704087 358296626 /nfs/dbraw/zinc/29/66/26/358296626.db2.gz KCYDQSPEGYUEPS-OAHLLOKOSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000491704087 358296627 /nfs/dbraw/zinc/29/66/27/358296627.db2.gz KCYDQSPEGYUEPS-OAHLLOKOSA-N 2 1 294.443 0.923 20 30 CCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000591770769 359657358 /nfs/dbraw/zinc/65/73/58/359657358.db2.gz YNFAMDYPBOVDHI-CABCVRRESA-N 2 1 282.432 0.514 20 30 CCEDMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439501 360308064 /nfs/dbraw/zinc/30/80/64/360308064.db2.gz RIAAXZUCFSORJV-QWHCGFSZSA-N 2 1 266.389 0.856 20 30 CCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439605 360308500 /nfs/dbraw/zinc/30/85/00/360308500.db2.gz SOMUWASYTYZAIZ-KWCYVHTRSA-N 2 1 278.400 0.997 20 30 CCEDMP Cc1[nH+]ccn1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594439094 360308638 /nfs/dbraw/zinc/30/86/38/360308638.db2.gz SHERGODHUWGXFX-GFCCVEGCSA-N 2 1 263.345 0.719 20 30 CCEDMP Cc1nc(NCC[N@@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000596425172 360890063 /nfs/dbraw/zinc/89/00/63/360890063.db2.gz OCDJIAHYHOOSKS-UHFFFAOYSA-N 2 1 275.400 0.979 20 30 CCEDMP Cc1nc(NCC[N@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000596425172 360890067 /nfs/dbraw/zinc/89/00/67/360890067.db2.gz OCDJIAHYHOOSKS-UHFFFAOYSA-N 2 1 275.400 0.979 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000635532078 372593814 /nfs/dbraw/zinc/59/38/14/372593814.db2.gz YXHRIHINPRRSBR-LSDHHAIUSA-N 2 1 293.411 0.616 20 30 CCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000305102762 389084548 /nfs/dbraw/zinc/08/45/48/389084548.db2.gz YLIJGGPISQSPKX-GJZGRUSLSA-N 2 1 268.401 0.968 20 30 CCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000305102760 389084804 /nfs/dbraw/zinc/08/48/04/389084804.db2.gz YLIJGGPISQSPKX-CABCVRRESA-N 2 1 268.401 0.968 20 30 CCEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N(C)Cc1ccon1 ZINC000261815286 389277243 /nfs/dbraw/zinc/27/72/43/389277243.db2.gz TUIKLOIOGHGHIX-GFCCVEGCSA-N 2 1 265.361 0.776 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNc1ccccn1 ZINC000264060767 389304186 /nfs/dbraw/zinc/30/41/86/389304186.db2.gz CSHDGYRGUBDKLC-ZDUSSCGKSA-N 2 1 290.415 0.882 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(C)c1 ZINC000264128156 389307511 /nfs/dbraw/zinc/30/75/11/389307511.db2.gz WXVAHAHDKKFRGK-GFCCVEGCSA-N 2 1 264.377 0.309 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351474808 389585590 /nfs/dbraw/zinc/58/55/90/389585590.db2.gz HAJHSEINRXJXPU-NNYUYHANSA-N 2 1 280.372 0.056 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351474808 389585593 /nfs/dbraw/zinc/58/55/93/389585593.db2.gz HAJHSEINRXJXPU-NNYUYHANSA-N 2 1 280.372 0.056 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430628634 389814831 /nfs/dbraw/zinc/81/48/31/389814831.db2.gz OWFUCJDBXGMXBT-CYBMUJFWSA-N 2 1 251.374 0.706 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442763409 389861814 /nfs/dbraw/zinc/86/18/14/389861814.db2.gz IXGCNQKTVSREMK-VWYCJHECSA-N 2 1 268.361 0.056 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442763409 389861815 /nfs/dbraw/zinc/86/18/15/389861815.db2.gz IXGCNQKTVSREMK-VWYCJHECSA-N 2 1 268.361 0.056 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000491255846 390111094 /nfs/dbraw/zinc/11/10/94/390111094.db2.gz YFSIWRDTWRUUJC-HNNXBMFYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](CC)C1 ZINC000491255846 390111095 /nfs/dbraw/zinc/11/10/95/390111095.db2.gz YFSIWRDTWRUUJC-HNNXBMFYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](CC)C1 ZINC000491255846 390111096 /nfs/dbraw/zinc/11/10/96/390111096.db2.gz YFSIWRDTWRUUJC-HNNXBMFYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000491661680 390115572 /nfs/dbraw/zinc/11/55/72/390115572.db2.gz NTEOJUISHPIGNI-NWDGAFQWSA-N 2 1 254.378 0.367 20 30 CCEDMP C[N@@H+](CC(=O)NC1(C#N)CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000535758229 390151429 /nfs/dbraw/zinc/15/14/29/390151429.db2.gz CVDWLLUSCDHBLJ-GFCCVEGCSA-N 2 1 296.440 0.528 20 30 CCEDMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000563955283 390494042 /nfs/dbraw/zinc/49/40/42/390494042.db2.gz WGCAJDHIWXJFCC-CHWSQXEVSA-N 2 1 266.389 0.854 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000519641342 390522388 /nfs/dbraw/zinc/52/23/88/390522388.db2.gz RSBHJBYEZMHDND-OAHLLOKOSA-N 2 1 278.400 0.874 20 30 CCEDMP C=CC[C@]1(C(=O)NCC[N@H+](C)CCCOC)CCC[NH2+]1 ZINC000662742952 414750494 /nfs/dbraw/zinc/75/04/94/414750494.db2.gz JCWOBEGKJYPMAE-OAHLLOKOSA-N 2 1 283.416 0.769 20 30 CCEDMP C#CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000490761998 261203576 /nfs/dbraw/zinc/20/35/76/261203576.db2.gz ZBXQAPVLZPIVLU-OAHLLOKOSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CCN(CC)CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000490761998 261203578 /nfs/dbraw/zinc/20/35/78/261203578.db2.gz ZBXQAPVLZPIVLU-OAHLLOKOSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000491566183 261672414 /nfs/dbraw/zinc/67/24/14/261672414.db2.gz DZOQELQMBVTNKO-OLZOCXBDSA-N 2 1 266.389 0.239 20 30 CCEDMP CN1CC[NH+]=C1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000284950702 263088456 /nfs/dbraw/zinc/08/84/56/263088456.db2.gz DUPOCMAWAFKABD-OAHLLOKOSA-N 2 1 288.395 0.297 20 30 CCEDMP C[C@@H]1C[NH+]=C(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)N1 ZINC000285025624 263089369 /nfs/dbraw/zinc/08/93/69/263089369.db2.gz JKHDAKADJJXRQD-IUODEOHRSA-N 2 1 288.395 0.343 20 30 CCEDMP CC[C@]1(O)CC[NH+](CC#CC[N@@H+]2CC[C@@](O)(CC)C2)C1 ZINC000342176652 263392633 /nfs/dbraw/zinc/39/26/33/263392633.db2.gz WGRKKLUDCMCZHU-HOTGVXAUSA-N 2 1 280.412 0.683 20 30 CCEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)NC[C@@H]1CCCO1 ZINC000262356246 330007883 /nfs/dbraw/zinc/00/78/83/330007883.db2.gz JIPNZWXTBAGRTD-LBPRGKRZSA-N 2 1 252.362 0.332 20 30 CCEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)NC[C@@H]1CCCO1 ZINC000262356246 330007885 /nfs/dbraw/zinc/00/78/85/330007885.db2.gz JIPNZWXTBAGRTD-LBPRGKRZSA-N 2 1 252.362 0.332 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCn2ccnc2C1 ZINC000262471194 330015597 /nfs/dbraw/zinc/01/55/97/330015597.db2.gz OGSRZZJPPRMMTA-OLZOCXBDSA-N 2 1 290.415 0.587 20 30 CCEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262481664 330016637 /nfs/dbraw/zinc/01/66/37/330016637.db2.gz RRKIYUFHGBVVGN-STQMWFEESA-N 2 1 268.405 0.754 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC2=[NH+]CCN2C)C1 ZINC000262670730 330025739 /nfs/dbraw/zinc/02/57/39/330025739.db2.gz QVBJOJBAVPAFJY-LBPRGKRZSA-N 2 1 254.378 0.234 20 30 CCEDMP C[NH+]=C(NCCn1cccn1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262791027 330031745 /nfs/dbraw/zinc/03/17/45/330031745.db2.gz NFPSCCFLOWKTFX-LBPRGKRZSA-N 2 1 276.388 0.285 20 30 CCEDMP C[NH+]=C(NCCn1cccn1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262791027 330031746 /nfs/dbraw/zinc/03/17/46/330031746.db2.gz NFPSCCFLOWKTFX-LBPRGKRZSA-N 2 1 276.388 0.285 20 30 CCEDMP C[N@H+]1CCN(CCNC(=[NH2+])NCC2CCC2)CC1(C)C ZINC000262811268 330033321 /nfs/dbraw/zinc/03/33/21/330033321.db2.gz VCISHLHRKMXEBS-UHFFFAOYSA-N 2 1 281.448 0.717 20 30 CCEDMP C[NH+]=C(NC1CCC1)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000262825285 330034478 /nfs/dbraw/zinc/03/44/78/330034478.db2.gz ZMHZBVYQTROGBA-UHFFFAOYSA-N 2 1 295.431 0.257 20 30 CCEDMP C[C@@H]1CN(C(=[NH2+])NCC[N@H+]2CCCC2(C)C)CCO1 ZINC000263078941 330042370 /nfs/dbraw/zinc/04/23/70/330042370.db2.gz HNXOBKZSZPZGQY-GFCCVEGCSA-N 2 1 268.405 0.896 20 30 CCEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423014739 330165480 /nfs/dbraw/zinc/16/54/80/330165480.db2.gz JECLJTKOUZXVCG-BYNSBNAKSA-N 2 1 268.401 0.918 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424143037 330286692 /nfs/dbraw/zinc/28/66/92/330286692.db2.gz VUKNOKNGRVHHNZ-ZIAGYGMSSA-N 2 1 296.415 0.481 20 30 CCEDMP COCC[N@H+]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424192771 330323954 /nfs/dbraw/zinc/32/39/54/330323954.db2.gz POCBPTIDOWPVPV-CYBMUJFWSA-N 2 1 282.388 0.188 20 30 CCEDMP COCC[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424192772 330323961 /nfs/dbraw/zinc/32/39/61/330323961.db2.gz POCBPTIDOWPVPV-ZDUSSCGKSA-N 2 1 282.388 0.188 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC)C2)CC1 ZINC000491265898 332176946 /nfs/dbraw/zinc/17/69/46/332176946.db2.gz NDZDIVVWPIKULO-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000491463096 332216420 /nfs/dbraw/zinc/21/64/20/332216420.db2.gz LLLLLQKXCZPMLN-GFCCVEGCSA-N 2 1 252.362 0.074 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000491632781 332254831 /nfs/dbraw/zinc/25/48/31/332254831.db2.gz SRGGWIMGRJDTDG-OAHLLOKOSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000491632781 332254832 /nfs/dbraw/zinc/25/48/32/332254832.db2.gz SRGGWIMGRJDTDG-OAHLLOKOSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000491632781 332254833 /nfs/dbraw/zinc/25/48/33/332254833.db2.gz SRGGWIMGRJDTDG-OAHLLOKOSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000491646844 332263709 /nfs/dbraw/zinc/26/37/09/332263709.db2.gz VHQCJWPIALVDJC-ZNMIVQPWSA-N 2 1 292.427 0.710 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000491646650 332263836 /nfs/dbraw/zinc/26/38/36/332263836.db2.gz UGRSHHWGTSWCJV-HNNXBMFYSA-N 2 1 294.443 0.925 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000491646650 332263838 /nfs/dbraw/zinc/26/38/38/332263838.db2.gz UGRSHHWGTSWCJV-HNNXBMFYSA-N 2 1 294.443 0.925 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000491646650 332263840 /nfs/dbraw/zinc/26/38/40/332263840.db2.gz UGRSHHWGTSWCJV-HNNXBMFYSA-N 2 1 294.443 0.925 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CCCC[N@H+](C)C1CC1 ZINC000491708976 332301001 /nfs/dbraw/zinc/30/10/01/332301001.db2.gz OCVXQIQDTAXLFO-UHFFFAOYSA-N 2 1 251.374 0.590 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)Nc2cc(C)on2)CC1 ZINC000576816506 335250662 /nfs/dbraw/zinc/25/06/62/335250662.db2.gz WSGJBDNTUZLARB-UHFFFAOYSA-N 2 1 292.383 0.974 20 30 CCEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])N(C)C2CC2)CC1 ZINC000305802162 649879547 /nfs/dbraw/zinc/87/95/47/649879547.db2.gz DTQHNNYWJUYKSM-ZDUSSCGKSA-N 2 1 281.448 0.669 20 30 CCEDMP C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CC[NH3+])C1=O ZINC000420308819 581580422 /nfs/dbraw/zinc/58/04/22/581580422.db2.gz DLHHHCYKQIHGDO-QWHCGFSZSA-N 2 1 251.374 0.977 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC ZINC000730094637 581644667 /nfs/dbraw/zinc/64/46/67/581644667.db2.gz LRSPXHUWPUBFRP-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC ZINC000730094637 581644670 /nfs/dbraw/zinc/64/46/70/581644670.db2.gz LRSPXHUWPUBFRP-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000764290330 582041168 /nfs/dbraw/zinc/04/11/68/582041168.db2.gz WRGOAUSVQAZHFV-LBPRGKRZSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CCOCC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000819231013 612989258 /nfs/dbraw/zinc/98/92/58/612989258.db2.gz ORHXCAIIUXRRPA-INIZCTEOSA-N 2 1 276.380 0.719 20 30 CCEDMP C#CCOCC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000819231013 612989260 /nfs/dbraw/zinc/98/92/60/612989260.db2.gz ORHXCAIIUXRRPA-INIZCTEOSA-N 2 1 276.380 0.719 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000968904013 612962567 /nfs/dbraw/zinc/96/25/67/612962567.db2.gz GCRSVAWBGWMDPS-HUUCEWRRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@@H+](CCOC)CCC(=O)N1CC[NH+](C)CC1 ZINC000852748906 612988874 /nfs/dbraw/zinc/98/88/74/612988874.db2.gz KRTNMDRKQBYJHQ-UHFFFAOYSA-N 2 1 281.400 0.122 20 30 CCEDMP C#CCC[N@H+](CCOC)CCC(=O)N1CC[NH+](C)CC1 ZINC000852748906 612988876 /nfs/dbraw/zinc/98/88/76/612988876.db2.gz KRTNMDRKQBYJHQ-UHFFFAOYSA-N 2 1 281.400 0.122 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000951749982 612991463 /nfs/dbraw/zinc/99/14/63/612991463.db2.gz MKVKCLVRBAHZKP-ZFWWWQNUSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000951749982 612991464 /nfs/dbraw/zinc/99/14/64/612991464.db2.gz MKVKCLVRBAHZKP-ZFWWWQNUSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000874263866 613009443 /nfs/dbraw/zinc/00/94/43/613009443.db2.gz NTTVZHNYQUVDRM-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000874263866 613009444 /nfs/dbraw/zinc/00/94/44/613009444.db2.gz NTTVZHNYQUVDRM-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[C@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872213915 613058527 /nfs/dbraw/zinc/05/85/27/613058527.db2.gz HWVPZBKLPCNERI-SJORKVTESA-N 2 1 288.391 0.597 20 30 CCEDMP C#CC[C@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872213915 613058528 /nfs/dbraw/zinc/05/85/28/613058528.db2.gz HWVPZBKLPCNERI-SJORKVTESA-N 2 1 288.391 0.597 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891920664 613077047 /nfs/dbraw/zinc/07/70/47/613077047.db2.gz CGMHKQZNYDBYAP-ZFWWWQNUSA-N 2 1 278.400 0.525 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](COC)[C@@H]1CCCOC1 ZINC000883223957 613079599 /nfs/dbraw/zinc/07/95/99/613079599.db2.gz BBIZJISRCWIADN-HUUCEWRRSA-N 2 1 268.401 0.973 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](COC)[C@@H]1CCCOC1 ZINC000883223957 613079600 /nfs/dbraw/zinc/07/96/00/613079600.db2.gz BBIZJISRCWIADN-HUUCEWRRSA-N 2 1 268.401 0.973 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971861975 613079897 /nfs/dbraw/zinc/07/98/97/613079897.db2.gz VKJJAUJAXZDTMP-CQSZACIVSA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000980409763 613081922 /nfs/dbraw/zinc/08/19/22/613081922.db2.gz VLFYUXQKPSJLEY-CYBMUJFWSA-N 2 1 260.341 0.357 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000980409763 613081924 /nfs/dbraw/zinc/08/19/24/613081924.db2.gz VLFYUXQKPSJLEY-CYBMUJFWSA-N 2 1 260.341 0.357 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000969677035 613116600 /nfs/dbraw/zinc/11/66/00/613116600.db2.gz MABNEAPKZWMQNF-IUODEOHRSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC000928651689 613133584 /nfs/dbraw/zinc/13/35/84/613133584.db2.gz QSXGBQZJSIKWDS-UHFFFAOYSA-N 2 1 260.341 0.405 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176173 613154643 /nfs/dbraw/zinc/15/46/43/613154643.db2.gz NVTOXDRKSJIKFE-OAHLLOKOSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176173 613154646 /nfs/dbraw/zinc/15/46/46/613154646.db2.gz NVTOXDRKSJIKFE-OAHLLOKOSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000890362902 613184367 /nfs/dbraw/zinc/18/43/67/613184367.db2.gz ILZXCJWTKFNYFE-ZDUSSCGKSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000890362902 613184369 /nfs/dbraw/zinc/18/43/69/613184369.db2.gz ILZXCJWTKFNYFE-ZDUSSCGKSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000884206255 613185861 /nfs/dbraw/zinc/18/58/61/613185861.db2.gz QDCMWDHMBUHVCD-KGLIPLIRSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000884206255 613185862 /nfs/dbraw/zinc/18/58/62/613185862.db2.gz QDCMWDHMBUHVCD-KGLIPLIRSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000884206255 613185863 /nfs/dbraw/zinc/18/58/63/613185863.db2.gz QDCMWDHMBUHVCD-KGLIPLIRSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000884206255 613185865 /nfs/dbraw/zinc/18/58/65/613185865.db2.gz QDCMWDHMBUHVCD-KGLIPLIRSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000923553508 613189875 /nfs/dbraw/zinc/18/98/75/613189875.db2.gz JYETZTWUIGHBBH-ZNMIVQPWSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000923553508 613189877 /nfs/dbraw/zinc/18/98/77/613189877.db2.gz JYETZTWUIGHBBH-ZNMIVQPWSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000923553508 613189880 /nfs/dbraw/zinc/18/98/80/613189880.db2.gz JYETZTWUIGHBBH-ZNMIVQPWSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000923553508 613189881 /nfs/dbraw/zinc/18/98/81/613189881.db2.gz JYETZTWUIGHBBH-ZNMIVQPWSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC)C1 ZINC000969866495 613200760 /nfs/dbraw/zinc/20/07/60/613200760.db2.gz WYUNNVSNHZAJPW-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC)C1 ZINC000969866495 613200762 /nfs/dbraw/zinc/20/07/62/613200762.db2.gz WYUNNVSNHZAJPW-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=C)C)C[C@H]21 ZINC000960355648 613202520 /nfs/dbraw/zinc/20/25/20/613202520.db2.gz ZWYWVIGBVGHMIM-XUWVNRHRSA-N 2 1 287.407 0.707 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=C)C)C[C@H]21 ZINC000960355648 613202521 /nfs/dbraw/zinc/20/25/21/613202521.db2.gz ZWYWVIGBVGHMIM-XUWVNRHRSA-N 2 1 287.407 0.707 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=C)C)C[C@H]21 ZINC000960355648 613202524 /nfs/dbraw/zinc/20/25/24/613202524.db2.gz ZWYWVIGBVGHMIM-XUWVNRHRSA-N 2 1 287.407 0.707 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=C)C)C[C@H]21 ZINC000960355648 613202526 /nfs/dbraw/zinc/20/25/26/613202526.db2.gz ZWYWVIGBVGHMIM-XUWVNRHRSA-N 2 1 287.407 0.707 20 30 CCEDMP C[NH+]=C(NCCC[N@H+](C)CCN(C)C)NC1CC1 ZINC000849028359 613219550 /nfs/dbraw/zinc/21/95/50/613219550.db2.gz SMHBHHRUJYHJJT-UHFFFAOYSA-N 2 1 255.410 0.197 20 30 CCEDMP C[NH+]=C(NCCC[N@@H+](C)CCN(C)C)NC1CC1 ZINC000849028359 613219552 /nfs/dbraw/zinc/21/95/52/613219552.db2.gz SMHBHHRUJYHJJT-UHFFFAOYSA-N 2 1 255.410 0.197 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947933801 613257359 /nfs/dbraw/zinc/25/73/59/613257359.db2.gz GWVUINARAOFPFY-KGLIPLIRSA-N 2 1 275.396 0.685 20 30 CCEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970869359 613299087 /nfs/dbraw/zinc/29/90/87/613299087.db2.gz PLGZUEYFYUUFPQ-CHWSQXEVSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970904632 613302283 /nfs/dbraw/zinc/30/22/83/613302283.db2.gz REUNLIFXKYUMJW-DZGCQCFKSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970904632 613302285 /nfs/dbraw/zinc/30/22/85/613302285.db2.gz REUNLIFXKYUMJW-DZGCQCFKSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978145182 613308878 /nfs/dbraw/zinc/30/88/78/613308878.db2.gz OYCYEZZABPPYPV-FPCVCCKLSA-N 2 1 287.407 0.255 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852762589 613325335 /nfs/dbraw/zinc/32/53/35/613325335.db2.gz PNHJMPIWRAGRQY-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000819062793 613326155 /nfs/dbraw/zinc/32/61/55/613326155.db2.gz TURBKRBQAZLKNB-HNNXBMFYSA-N 2 1 293.411 0.359 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958414757 613344973 /nfs/dbraw/zinc/34/49/73/613344973.db2.gz KDGWELKDYAKMRU-RQJABVFESA-N 2 1 263.385 0.703 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000900603247 613364028 /nfs/dbraw/zinc/36/40/28/613364028.db2.gz MTBSNVIVZJNIIH-CYBMUJFWSA-N 2 1 269.389 0.019 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCCn1cc[nH+]c1C ZINC000900449207 613364894 /nfs/dbraw/zinc/36/48/94/613364894.db2.gz RPTAUSPWIUVFPP-UHFFFAOYSA-N 2 1 250.346 0.816 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000876750969 613390144 /nfs/dbraw/zinc/39/01/44/613390144.db2.gz KYAHIKYVCQUWJC-NEPJUHHUSA-N 2 1 289.807 0.683 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876736851 613390288 /nfs/dbraw/zinc/39/02/88/613390288.db2.gz LEHUNXGJEHSVLO-KOLCDFICSA-N 2 1 257.765 0.809 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000876756578 613390298 /nfs/dbraw/zinc/39/02/98/613390298.db2.gz VNVVSWWEQIXGQE-MNOVXSKESA-N 2 1 275.780 0.293 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944944292 613578825 /nfs/dbraw/zinc/57/88/25/613578825.db2.gz MEZLAYSBXJANAH-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000962302508 613633906 /nfs/dbraw/zinc/63/39/06/613633906.db2.gz DCOLXQXKAYKMMC-TTZDDIAXSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000962302508 613633908 /nfs/dbraw/zinc/63/39/08/613633908.db2.gz DCOLXQXKAYKMMC-TTZDDIAXSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000962302508 613633910 /nfs/dbraw/zinc/63/39/10/613633910.db2.gz DCOLXQXKAYKMMC-TTZDDIAXSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959923085 613636203 /nfs/dbraw/zinc/63/62/03/613636203.db2.gz OSUCHMZXZNSLTE-WCVJEAGWSA-N 2 1 287.407 0.398 20 30 CCEDMP C=CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000904312348 613651183 /nfs/dbraw/zinc/65/11/83/613651183.db2.gz HZJIZKHWKXUUSG-GRYCIOLGSA-N 2 1 258.387 0.399 20 30 CCEDMP C=CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000904312348 613651184 /nfs/dbraw/zinc/65/11/84/613651184.db2.gz HZJIZKHWKXUUSG-GRYCIOLGSA-N 2 1 258.387 0.399 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000917137084 613674873 /nfs/dbraw/zinc/67/48/73/613674873.db2.gz KXKFRSNHXXTIHM-ZDUSSCGKSA-N 2 1 266.389 0.640 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923493236 613778666 /nfs/dbraw/zinc/77/86/66/613778666.db2.gz FXLWVVOLYURFMA-UPJWGTAASA-N 2 1 251.374 0.690 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958215896 613812262 /nfs/dbraw/zinc/81/22/62/613812262.db2.gz YIGNOUXVPAPSGZ-UONOGXRCSA-N 2 1 293.411 0.210 20 30 CCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000977926186 613834463 /nfs/dbraw/zinc/83/44/63/613834463.db2.gz ZTHMTNUMUCSEIQ-FQUUOJAGSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977926186 613834464 /nfs/dbraw/zinc/83/44/64/613834464.db2.gz ZTHMTNUMUCSEIQ-FQUUOJAGSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977926186 613834465 /nfs/dbraw/zinc/83/44/65/613834465.db2.gz ZTHMTNUMUCSEIQ-FQUUOJAGSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CCNC(=[NH2+])NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000849022699 613844694 /nfs/dbraw/zinc/84/46/94/613844694.db2.gz SUXLQSAUSLVFED-GFCCVEGCSA-N 2 1 254.378 0.787 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000969960151 613863655 /nfs/dbraw/zinc/86/36/55/613863655.db2.gz PICUWNWHTRCGDD-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP CCC[N@@H+](CC)CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884229581 614569002 /nfs/dbraw/zinc/56/90/02/614569002.db2.gz UWZAYKNLCWQSNB-NPCAHTBFSA-N 2 1 292.427 0.974 20 30 CCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000844194413 614665477 /nfs/dbraw/zinc/66/54/77/614665477.db2.gz GPDNOVWGFCRENH-SDDRHHMPSA-N 2 1 250.346 0.089 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000913520779 615857819 /nfs/dbraw/zinc/85/78/19/615857819.db2.gz YEXOHPLBLHGWPG-LBPRGKRZSA-N 2 1 269.414 0.105 20 30 CCEDMP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876734626 616190329 /nfs/dbraw/zinc/19/03/29/616190329.db2.gz VLZUXYRCFAKLBU-GDBMZVCRSA-N 2 1 298.390 0.955 20 30 CCEDMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876734626 616190330 /nfs/dbraw/zinc/19/03/30/616190330.db2.gz VLZUXYRCFAKLBU-GDBMZVCRSA-N 2 1 298.390 0.955 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026139698 625340948 /nfs/dbraw/zinc/34/09/48/625340948.db2.gz LBBQZUOJOVUTGP-LEOABGAYSA-N 2 1 289.423 0.786 20 30 CCEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001026608610 625479995 /nfs/dbraw/zinc/47/99/95/625479995.db2.gz FQSJLAPTEKCYGY-NRXISQOPSA-N 2 1 295.427 0.910 20 30 CCEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001026608610 625479998 /nfs/dbraw/zinc/47/99/98/625479998.db2.gz FQSJLAPTEKCYGY-NRXISQOPSA-N 2 1 295.427 0.910 20 30 CCEDMP C=CC[C@@H]1CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000934460526 622707620 /nfs/dbraw/zinc/70/76/20/622707620.db2.gz JVNVWCMGWFHBLO-CYBMUJFWSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[C@@H]1CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000934460526 622707628 /nfs/dbraw/zinc/70/76/28/622707628.db2.gz JVNVWCMGWFHBLO-CYBMUJFWSA-N 2 1 251.374 0.801 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001023272807 622973529 /nfs/dbraw/zinc/97/35/29/622973529.db2.gz DUGNVTUCIBCVRE-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001023272807 622973536 /nfs/dbraw/zinc/97/35/36/622973536.db2.gz DUGNVTUCIBCVRE-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001023272807 622973542 /nfs/dbraw/zinc/97/35/42/622973542.db2.gz DUGNVTUCIBCVRE-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023744205 623125355 /nfs/dbraw/zinc/12/53/55/623125355.db2.gz KNWHZJYJPWLECB-UONOGXRCSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023744205 623125365 /nfs/dbraw/zinc/12/53/65/623125365.db2.gz KNWHZJYJPWLECB-UONOGXRCSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023744205 623125381 /nfs/dbraw/zinc/12/53/81/623125381.db2.gz KNWHZJYJPWLECB-UONOGXRCSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001024808181 623449467 /nfs/dbraw/zinc/44/94/67/623449467.db2.gz DOKWLYAARLGVPT-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001024808181 623449475 /nfs/dbraw/zinc/44/94/75/623449475.db2.gz DOKWLYAARLGVPT-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001024808181 623449482 /nfs/dbraw/zinc/44/94/82/623449482.db2.gz DOKWLYAARLGVPT-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024808181 623449486 /nfs/dbraw/zinc/44/94/86/623449486.db2.gz DOKWLYAARLGVPT-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024808181 623449491 /nfs/dbraw/zinc/44/94/91/623449491.db2.gz DOKWLYAARLGVPT-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001020499960 624497489 /nfs/dbraw/zinc/49/74/89/624497489.db2.gz JLYMXNPARATPFQ-KKUMJFAQSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001020651452 624562188 /nfs/dbraw/zinc/56/21/88/624562188.db2.gz JPVWMVHADUGNJM-JOCQHMNTSA-N 2 1 274.368 0.877 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001021073964 624656668 /nfs/dbraw/zinc/65/66/68/624656668.db2.gz GJYBKGWDUKPTGR-MGPQQGTHSA-N 2 1 281.400 0.520 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001021073964 624656669 /nfs/dbraw/zinc/65/66/69/624656669.db2.gz GJYBKGWDUKPTGR-MGPQQGTHSA-N 2 1 281.400 0.520 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027350076 625846109 /nfs/dbraw/zinc/84/61/09/625846109.db2.gz HGPVLXMPIRVZCG-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027350076 625846114 /nfs/dbraw/zinc/84/61/14/625846114.db2.gz HGPVLXMPIRVZCG-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001027350076 625846117 /nfs/dbraw/zinc/84/61/17/625846117.db2.gz HGPVLXMPIRVZCG-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001027350076 625846122 /nfs/dbraw/zinc/84/61/22/625846122.db2.gz HGPVLXMPIRVZCG-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@H+](CCOC)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903914413 634677194 /nfs/dbraw/zinc/67/71/94/634677194.db2.gz URBXZSBNIFTOHC-CQSZACIVSA-N 2 1 280.416 0.980 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650208 630833664 /nfs/dbraw/zinc/83/36/64/630833664.db2.gz CGFUFFDKKCUKAJ-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027650208 630833667 /nfs/dbraw/zinc/83/36/67/630833667.db2.gz CGFUFFDKKCUKAJ-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027650208 630833670 /nfs/dbraw/zinc/83/36/70/630833670.db2.gz CGFUFFDKKCUKAJ-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001027805709 630935940 /nfs/dbraw/zinc/93/59/40/630935940.db2.gz AVZYPRGAALNTBJ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027805709 630935944 /nfs/dbraw/zinc/93/59/44/630935944.db2.gz AVZYPRGAALNTBJ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027805709 630935946 /nfs/dbraw/zinc/93/59/46/630935946.db2.gz AVZYPRGAALNTBJ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027805709 630935949 /nfs/dbraw/zinc/93/59/49/630935949.db2.gz AVZYPRGAALNTBJ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027805709 630935953 /nfs/dbraw/zinc/93/59/53/630935953.db2.gz AVZYPRGAALNTBJ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C[NH+]=C(NCc1nc(C)no1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261852029 631653396 /nfs/dbraw/zinc/65/33/96/631653396.db2.gz YDSHSIQEVVPATL-JOYOIKCWSA-N 2 1 292.387 0.526 20 30 CCEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000261875192 631666668 /nfs/dbraw/zinc/66/66/68/631666668.db2.gz PRJJWVMQJAHRCY-RYUDHWBXSA-N 2 1 254.378 0.412 20 30 CCEDMP C[NH+]=C(NCC(F)F)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261947039 631721081 /nfs/dbraw/zinc/72/10/81/631721081.db2.gz GFLWNGQXDITWJW-PSASIEDQSA-N 2 1 260.332 0.899 20 30 CCEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N(C)Cc1cccn1C ZINC000261967000 631736816 /nfs/dbraw/zinc/73/68/16/631736816.db2.gz LRDYUESUNKIAJW-LBPRGKRZSA-N 2 1 265.405 0.982 20 30 CCEDMP CCNC(NC[C@@H]1CCC[N@H+]1CCOC)=[NH+]CC ZINC000303982784 632502994 /nfs/dbraw/zinc/50/29/94/632502994.db2.gz QQTTXQJYPLCXMJ-LBPRGKRZSA-N 2 1 256.394 0.672 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000988962245 633131153 /nfs/dbraw/zinc/13/11/53/633131153.db2.gz RIMQHJDEVBBNRS-OLZOCXBDSA-N 2 1 263.385 0.683 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989662294 633340240 /nfs/dbraw/zinc/34/02/40/633340240.db2.gz RWQJPYGLTFXQPG-ZDUSSCGKSA-N 2 1 251.374 0.658 20 30 CCEDMP C=CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989662294 633340247 /nfs/dbraw/zinc/34/02/47/633340247.db2.gz RWQJPYGLTFXQPG-ZDUSSCGKSA-N 2 1 251.374 0.658 20 30 CCEDMP C=CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989662294 633340252 /nfs/dbraw/zinc/34/02/52/633340252.db2.gz RWQJPYGLTFXQPG-ZDUSSCGKSA-N 2 1 251.374 0.658 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000990569456 633555613 /nfs/dbraw/zinc/55/56/13/633555613.db2.gz DZLXVHAGSSKKKN-CYBMUJFWSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000990569456 633555616 /nfs/dbraw/zinc/55/56/16/633555616.db2.gz DZLXVHAGSSKKKN-CYBMUJFWSA-N 2 1 267.373 0.084 20 30 CCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992473990 637442560 /nfs/dbraw/zinc/44/25/60/637442560.db2.gz GNRLZHDYTUPSLD-SQWLQELKSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992473990 637442564 /nfs/dbraw/zinc/44/25/64/637442564.db2.gz GNRLZHDYTUPSLD-SQWLQELKSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992473990 637442569 /nfs/dbraw/zinc/44/25/69/637442569.db2.gz GNRLZHDYTUPSLD-SQWLQELKSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CCN1CCC[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H]1C ZINC000994299310 637919603 /nfs/dbraw/zinc/91/96/03/637919603.db2.gz VRJVZSRXAVXPFV-CHWSQXEVSA-N 2 1 274.368 0.863 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997009139 638848284 /nfs/dbraw/zinc/84/82/84/638848284.db2.gz OZOWUFXXTZYTDG-OCCSQVGLSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998583026 638928849 /nfs/dbraw/zinc/92/88/49/638928849.db2.gz NFODUQCYUKBBAI-RUXDESIVSA-N 2 1 281.400 0.472 20 30 CCEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998583026 638928851 /nfs/dbraw/zinc/92/88/51/638928851.db2.gz NFODUQCYUKBBAI-RUXDESIVSA-N 2 1 281.400 0.472 20 30 CCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001001263188 639263906 /nfs/dbraw/zinc/26/39/06/639263906.db2.gz IJCGQVKJIWDOJH-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001001377070 639291237 /nfs/dbraw/zinc/29/12/37/639291237.db2.gz QXPGRHGISOQTSZ-UHFFFAOYSA-N 2 1 273.380 0.464 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001001463259 639302254 /nfs/dbraw/zinc/30/22/54/639302254.db2.gz RGTSZYZTYZYKIP-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001001463259 639302260 /nfs/dbraw/zinc/30/22/60/639302260.db2.gz RGTSZYZTYZYKIP-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001001463259 639302262 /nfs/dbraw/zinc/30/22/62/639302262.db2.gz RGTSZYZTYZYKIP-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001001463259 639302268 /nfs/dbraw/zinc/30/22/68/639302268.db2.gz RGTSZYZTYZYKIP-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014909345 650502824 /nfs/dbraw/zinc/50/28/24/650502824.db2.gz LJJDCGWXBYYWFW-AWEZNQCLSA-N 2 1 275.396 0.686 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014909345 650502826 /nfs/dbraw/zinc/50/28/26/650502826.db2.gz LJJDCGWXBYYWFW-AWEZNQCLSA-N 2 1 275.396 0.686 20 30 CCEDMP C[C@@H](C#N)OCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000801940588 640679044 /nfs/dbraw/zinc/67/90/44/640679044.db2.gz PHFWMVAMXDLDPW-AWEZNQCLSA-N 2 1 297.399 0.074 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001016825305 650763636 /nfs/dbraw/zinc/76/36/36/650763636.db2.gz HNZDRKGTOUPVKY-CABCVRRESA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016969155 650774916 /nfs/dbraw/zinc/77/49/16/650774916.db2.gz JWEACOOOAVRITB-KGLIPLIRSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001016975875 650775073 /nfs/dbraw/zinc/77/50/73/650775073.db2.gz SUEZRCGDTCKPTC-AWEZNQCLSA-N 2 1 286.379 0.795 20 30 CCEDMP C=CC[C@H](CO)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000849016187 643700458 /nfs/dbraw/zinc/70/04/58/643700458.db2.gz RNAMFSRBDCWLGO-QWHCGFSZSA-N 2 1 268.405 0.769 20 30 CCEDMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852860197 644028451 /nfs/dbraw/zinc/02/84/51/644028451.db2.gz MWCRQGUFVDKHKK-ZDUSSCGKSA-N 2 1 288.395 0.947 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001018665521 650894688 /nfs/dbraw/zinc/89/46/88/650894688.db2.gz UFAMGLWCGSESIR-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001018665521 650894692 /nfs/dbraw/zinc/89/46/92/650894692.db2.gz UFAMGLWCGSESIR-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001018962584 650924863 /nfs/dbraw/zinc/92/48/63/650924863.db2.gz GCRSVAWBGWMDPS-CABCVRRESA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001018986081 650927048 /nfs/dbraw/zinc/92/70/48/650927048.db2.gz QTVZNCGYXODKFW-GJZGRUSLSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001018986081 650927052 /nfs/dbraw/zinc/92/70/52/650927052.db2.gz QTVZNCGYXODKFW-GJZGRUSLSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001019298068 650958865 /nfs/dbraw/zinc/95/88/65/650958865.db2.gz XTUUBNFZYWFBRC-KBPBESRZSA-N 2 1 286.379 0.578 20 30 CCEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876801823 646668894 /nfs/dbraw/zinc/66/88/94/646668894.db2.gz JILDNGCRHXSZEZ-OAGGEKHMSA-N 2 1 298.390 0.736 20 30 CCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@H]1C(F)F)C2 ZINC000884290150 647697665 /nfs/dbraw/zinc/69/76/65/647697665.db2.gz SWJGIXMMJWLHFS-PYUIQPRZSA-N 2 1 298.337 0.191 20 30 CCEDMP N#Cc1ccc(NCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)nc1 ZINC000925892429 648468862 /nfs/dbraw/zinc/46/88/62/648468862.db2.gz ARXARZAYDNAHPC-XNHWPECASA-N 2 1 283.379 0.951 20 30 CCEDMP [NH2+]=C(NCCCOCC1CC1)NCCC[NH+]1CCOCC1 ZINC000303785129 649824924 /nfs/dbraw/zinc/82/49/24/649824924.db2.gz PZOLPZCBTAAHFN-UHFFFAOYSA-N 2 1 298.431 0.430 20 30 CCEDMP CC(C)NC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000303872631 649825985 /nfs/dbraw/zinc/82/59/85/649825985.db2.gz GMKKXVLVWXNPNB-UHFFFAOYSA-N 2 1 290.415 0.646 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1 ZINC000303898045 649826463 /nfs/dbraw/zinc/82/64/63/649826463.db2.gz QZISZITWZNQRRZ-UONOGXRCSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CC[C@@H](CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)C1 ZINC000303898045 649826464 /nfs/dbraw/zinc/82/64/64/649826464.db2.gz QZISZITWZNQRRZ-UONOGXRCSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CC[C@@H](CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)C1 ZINC000303898045 649826466 /nfs/dbraw/zinc/82/64/66/649826466.db2.gz QZISZITWZNQRRZ-UONOGXRCSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])N[C@@H](C)COC)CC1 ZINC000303908891 649826840 /nfs/dbraw/zinc/82/68/40/649826840.db2.gz XXMSFVNSVQJOLU-AWEZNQCLSA-N 2 1 299.463 0.343 20 30 CCEDMP COCCC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000305150619 649842431 /nfs/dbraw/zinc/84/24/31/649842431.db2.gz OLSDDKQFPDQVRV-UHFFFAOYSA-N 2 1 298.431 0.430 20 30 CCEDMP COCC#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230262688 805589189 /nfs/dbraw/zinc/58/91/89/805589189.db2.gz NFUOPESAMMDVID-AWEZNQCLSA-N 2 1 293.411 0.169 20 30 CCEDMP C=C(C)CN1CC[NH+](CCCNC(=O)CC[NH+](C)C)CC1 ZINC001266271120 790371629 /nfs/dbraw/zinc/37/16/29/790371629.db2.gz GCOLCLRAEWZNGH-UHFFFAOYSA-N 2 1 296.459 0.638 20 30 CCEDMP C#CCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001209268072 790593937 /nfs/dbraw/zinc/59/39/37/790593937.db2.gz SKRDDUYNNBXURE-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001209268072 790593947 /nfs/dbraw/zinc/59/39/47/790593947.db2.gz SKRDDUYNNBXURE-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCCF)C1CC1 ZINC001266412272 790657164 /nfs/dbraw/zinc/65/71/64/790657164.db2.gz QEJPKXPWEDPDRV-GJZGRUSLSA-N 2 1 295.402 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCCF)C1CC1 ZINC001266412272 790657176 /nfs/dbraw/zinc/65/71/76/790657176.db2.gz QEJPKXPWEDPDRV-GJZGRUSLSA-N 2 1 295.402 0.928 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266548585 790911606 /nfs/dbraw/zinc/91/16/06/790911606.db2.gz CREWZCJCPJUAOI-LSDHHAIUSA-N 2 1 295.427 0.579 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266548585 790911614 /nfs/dbraw/zinc/91/16/14/790911614.db2.gz CREWZCJCPJUAOI-LSDHHAIUSA-N 2 1 295.427 0.579 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266548585 790911618 /nfs/dbraw/zinc/91/16/18/790911618.db2.gz CREWZCJCPJUAOI-LSDHHAIUSA-N 2 1 295.427 0.579 20 30 CCEDMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001277781559 806034135 /nfs/dbraw/zinc/03/41/35/806034135.db2.gz LXFBBMKACYEHEY-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001277781559 806034146 /nfs/dbraw/zinc/03/41/46/806034146.db2.gz LXFBBMKACYEHEY-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001277783580 806043479 /nfs/dbraw/zinc/04/34/79/806043479.db2.gz WMNHPKHZXDGPPM-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001277783580 806043487 /nfs/dbraw/zinc/04/34/87/806043487.db2.gz WMNHPKHZXDGPPM-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001120511021 798841145 /nfs/dbraw/zinc/84/11/45/798841145.db2.gz CMJHJFKHKZDWEY-DGCLKSJQSA-N 2 1 260.341 0.842 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001121952579 799105990 /nfs/dbraw/zinc/10/59/90/799105990.db2.gz JYKPCZKPCNCMNP-OAHLLOKOSA-N 2 1 296.459 0.766 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149848974 800303264 /nfs/dbraw/zinc/30/32/64/800303264.db2.gz QLOZMISAAFEVMP-HUUCEWRRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150293195 800329395 /nfs/dbraw/zinc/32/93/95/800329395.db2.gz WAJDRHFELCAISE-HUUCEWRRSA-N 2 1 297.443 0.966 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151057030 800391903 /nfs/dbraw/zinc/39/19/03/800391903.db2.gz QDYMMLMYIOWRLP-CHWSQXEVSA-N 2 1 253.390 0.999 20 30 CCEDMP N#Cc1cnc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)cn1 ZINC001155373057 800960966 /nfs/dbraw/zinc/96/09/66/800960966.db2.gz MDWXWJGRJFLXMZ-CYBMUJFWSA-N 2 1 272.356 0.208 20 30 CCEDMP N#Cc1cnc(NC(=[NH2+])NCCCC[NH3+])c(C#N)c1 ZINC001157094545 801299462 /nfs/dbraw/zinc/29/94/62/801299462.db2.gz SVUASYIREZBIFP-UHFFFAOYSA-N 2 1 257.301 0.500 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158037441 801558884 /nfs/dbraw/zinc/55/88/84/801558884.db2.gz IVQUFBGJSMLPMC-HUUCEWRRSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158372032 801628930 /nfs/dbraw/zinc/62/89/30/801628930.db2.gz CFCYWCNZPJXYFY-CHWSQXEVSA-N 2 1 251.374 0.446 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380620 801629272 /nfs/dbraw/zinc/62/92/72/801629272.db2.gz RYLJSLUVKIOBNV-CHWSQXEVSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160861972 802035090 /nfs/dbraw/zinc/03/50/90/802035090.db2.gz FESZIVLKGOAEKW-UONOGXRCSA-N 2 1 263.385 0.732 20 30 CCEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163940990 802638196 /nfs/dbraw/zinc/63/81/96/802638196.db2.gz VETKUHIIRILSOO-CQSZACIVSA-N 2 1 295.427 0.769 20 30 CCEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940990 802638200 /nfs/dbraw/zinc/63/82/00/802638200.db2.gz VETKUHIIRILSOO-CQSZACIVSA-N 2 1 295.427 0.769 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166694073 802941399 /nfs/dbraw/zinc/94/13/99/802941399.db2.gz VDIMBUQRLBRWEV-OLZOCXBDSA-N 2 1 251.374 0.303 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028658628 813176433 /nfs/dbraw/zinc/17/64/33/813176433.db2.gz BJUYQGISMMSYFQ-AWEZNQCLSA-N 2 1 275.396 0.686 20 30 CCEDMP Cn1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cc1C#N ZINC001207109547 803353674 /nfs/dbraw/zinc/35/36/74/803353674.db2.gz NMADPVGIAFIGTN-UHFFFAOYSA-N 2 1 275.400 0.576 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207735197 803444457 /nfs/dbraw/zinc/44/44/57/803444457.db2.gz YONXSQPMSFWRBJ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207735197 803444463 /nfs/dbraw/zinc/44/44/63/803444463.db2.gz YONXSQPMSFWRBJ-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001276562947 803496122 /nfs/dbraw/zinc/49/61/22/803496122.db2.gz JPTTUFATHBSGCL-CABCVRRESA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001276562947 803496126 /nfs/dbraw/zinc/49/61/26/803496126.db2.gz JPTTUFATHBSGCL-CABCVRRESA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208691450 803536837 /nfs/dbraw/zinc/53/68/37/803536837.db2.gz IUOJMYNNVRJXCF-UPJWGTAASA-N 2 1 253.390 0.949 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213859855 803704245 /nfs/dbraw/zinc/70/42/45/803704245.db2.gz MYHVHZNPXGXOTN-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213859855 803704248 /nfs/dbraw/zinc/70/42/48/803704248.db2.gz MYHVHZNPXGXOTN-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213859855 803704254 /nfs/dbraw/zinc/70/42/54/803704254.db2.gz MYHVHZNPXGXOTN-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218911562 804154699 /nfs/dbraw/zinc/15/46/99/804154699.db2.gz IVGVXLUJWAHGSD-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218911562 804154705 /nfs/dbraw/zinc/15/47/05/804154705.db2.gz IVGVXLUJWAHGSD-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218911562 804154710 /nfs/dbraw/zinc/15/47/10/804154710.db2.gz IVGVXLUJWAHGSD-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218911562 804154712 /nfs/dbraw/zinc/15/47/12/804154712.db2.gz IVGVXLUJWAHGSD-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CCC)[C@H]2C1 ZINC001219002959 804180401 /nfs/dbraw/zinc/18/04/01/804180401.db2.gz LPOPJBPWKAGZGC-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CCC)[C@H]2C1 ZINC001219002959 804180403 /nfs/dbraw/zinc/18/04/03/804180403.db2.gz LPOPJBPWKAGZGC-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCC)[C@H]2C1 ZINC001219002959 804180405 /nfs/dbraw/zinc/18/04/05/804180405.db2.gz LPOPJBPWKAGZGC-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCC)[C@H]2C1 ZINC001219002959 804180406 /nfs/dbraw/zinc/18/04/06/804180406.db2.gz LPOPJBPWKAGZGC-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355649 804582658 /nfs/dbraw/zinc/58/26/58/804582658.db2.gz XUFPQDXZPZIDMB-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355649 804582664 /nfs/dbraw/zinc/58/26/64/804582664.db2.gz XUFPQDXZPZIDMB-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355649 804582670 /nfs/dbraw/zinc/58/26/70/804582670.db2.gz XUFPQDXZPZIDMB-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220379654 804588091 /nfs/dbraw/zinc/58/80/91/804588091.db2.gz CJNQYGFYGCGQOF-AGIUHOORSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220584489 804629815 /nfs/dbraw/zinc/62/98/15/804629815.db2.gz ATVBESYYECKTDK-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220688913 804650651 /nfs/dbraw/zinc/65/06/51/804650651.db2.gz VVFNFGJNIQARIR-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688913 804650654 /nfs/dbraw/zinc/65/06/54/804650654.db2.gz VVFNFGJNIQARIR-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688913 804650658 /nfs/dbraw/zinc/65/06/58/804650658.db2.gz VVFNFGJNIQARIR-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154537 804737936 /nfs/dbraw/zinc/73/79/36/804737936.db2.gz QYVBLWYLTQIUNP-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154537 804737942 /nfs/dbraw/zinc/73/79/42/804737942.db2.gz QYVBLWYLTQIUNP-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223425151 804970946 /nfs/dbraw/zinc/97/09/46/804970946.db2.gz NOQDZHRPQYVCQB-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246022935 807122367 /nfs/dbraw/zinc/12/23/67/807122367.db2.gz RACFIZQQWLRHNI-OLZOCXBDSA-N 2 1 260.353 0.703 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246023857 807122641 /nfs/dbraw/zinc/12/26/41/807122641.db2.gz SKGAVPYRCOBZSN-KBPBESRZSA-N 2 1 254.374 0.448 20 30 CCEDMP C=C[C@H](O)C[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246047838 807133660 /nfs/dbraw/zinc/13/36/60/807133660.db2.gz UMWXRIOAECKPGL-MBNYWOFBSA-N 2 1 268.357 0.008 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCN(CC)C1 ZINC001246302124 807214505 /nfs/dbraw/zinc/21/45/05/807214505.db2.gz ALBVGEZHVVFFEG-KGLIPLIRSA-N 2 1 283.416 0.897 20 30 CCEDMP C#CCCN1CCC[C@@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C1=O ZINC001246344378 807227969 /nfs/dbraw/zinc/22/79/69/807227969.db2.gz JJRDOYNTZYPBJM-HZSPNIEDSA-N 2 1 263.385 0.731 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001278689657 807995058 /nfs/dbraw/zinc/99/50/58/807995058.db2.gz GBZZZSXPSMUPRG-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+]CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC001263108165 809449012 /nfs/dbraw/zinc/44/90/12/809449012.db2.gz PRLWJLMMYMGAQC-UHFFFAOYSA-N 2 1 261.300 0.633 20 30 CCEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001263817277 809576430 /nfs/dbraw/zinc/57/64/30/809576430.db2.gz RPFFZSNFDZPGDS-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001263817277 809576434 /nfs/dbraw/zinc/57/64/34/809576434.db2.gz RPFFZSNFDZPGDS-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001263817277 809576437 /nfs/dbraw/zinc/57/64/37/809576437.db2.gz RPFFZSNFDZPGDS-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001263817277 809576439 /nfs/dbraw/zinc/57/64/39/809576439.db2.gz RPFFZSNFDZPGDS-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076462054 815300888 /nfs/dbraw/zinc/30/08/88/815300888.db2.gz GIQBUKFYKMJYMJ-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076462054 815300896 /nfs/dbraw/zinc/30/08/96/815300896.db2.gz GIQBUKFYKMJYMJ-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264416961 809654577 /nfs/dbraw/zinc/65/45/77/809654577.db2.gz KAGSBXQITNIYCE-MGPQQGTHSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001265295010 809749036 /nfs/dbraw/zinc/74/90/36/809749036.db2.gz NVLCNLJUPAHMPB-AWEZNQCLSA-N 2 1 292.383 0.585 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001265295010 809749043 /nfs/dbraw/zinc/74/90/43/809749043.db2.gz NVLCNLJUPAHMPB-AWEZNQCLSA-N 2 1 292.383 0.585 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265624694 809815854 /nfs/dbraw/zinc/81/58/54/809815854.db2.gz XOEUCRKMJGPFON-CABCVRRESA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001266070855 809929675 /nfs/dbraw/zinc/92/96/75/809929675.db2.gz XQSLPYRDBWSPPW-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266070855 809929679 /nfs/dbraw/zinc/92/96/79/809929679.db2.gz XQSLPYRDBWSPPW-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001266070855 809929682 /nfs/dbraw/zinc/92/96/82/809929682.db2.gz XQSLPYRDBWSPPW-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001267281980 811090768 /nfs/dbraw/zinc/09/07/68/811090768.db2.gz NNVGZMGATZLDLW-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[N@@H+](CCC)CCNC(=O)C[NH+]1CCCC1 ZINC001267320605 811147676 /nfs/dbraw/zinc/14/76/76/811147676.db2.gz PPRJKDUJEAAQJJ-UHFFFAOYSA-N 2 1 265.401 0.934 20 30 CCEDMP C#CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076987324 815428543 /nfs/dbraw/zinc/42/85/43/815428543.db2.gz LOJULEKAVUPZQN-RBSFLKMASA-N 2 1 293.411 0.044 20 30 CCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001076987324 815428545 /nfs/dbraw/zinc/42/85/45/815428545.db2.gz LOJULEKAVUPZQN-RBSFLKMASA-N 2 1 293.411 0.044 20 30 CCEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076987324 815428548 /nfs/dbraw/zinc/42/85/48/815428548.db2.gz LOJULEKAVUPZQN-RBSFLKMASA-N 2 1 293.411 0.044 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001076987324 815428551 /nfs/dbraw/zinc/42/85/51/815428551.db2.gz LOJULEKAVUPZQN-RBSFLKMASA-N 2 1 293.411 0.044 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267613572 811565499 /nfs/dbraw/zinc/56/54/99/811565499.db2.gz NATLMANIJUSFFV-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267613572 811565503 /nfs/dbraw/zinc/56/55/03/811565503.db2.gz NATLMANIJUSFFV-KGLIPLIRSA-N 2 1 283.391 0.880 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000709482051 811908269 /nfs/dbraw/zinc/90/82/69/811908269.db2.gz LIXYGVOPRSXGTR-XQQFMLRXSA-N 2 1 264.373 0.751 20 30 CCEDMP CC#CC[NH+](C)CCN(C)C(=O)CC[N@H+](C)CC ZINC001268253543 812418349 /nfs/dbraw/zinc/41/83/49/812418349.db2.gz ALMAJPJCHIMZNI-UHFFFAOYSA-N 2 1 253.390 0.742 20 30 CCEDMP CC#CC[N@@H+](C)CCN(C)C(=O)CC[NH+](C)CC ZINC001268253543 812418355 /nfs/dbraw/zinc/41/83/55/812418355.db2.gz ALMAJPJCHIMZNI-UHFFFAOYSA-N 2 1 253.390 0.742 20 30 CCEDMP CC#CC[N@H+](C)CCN(C)C(=O)CC[NH+](C)CC ZINC001268253543 812418359 /nfs/dbraw/zinc/41/83/59/812418359.db2.gz ALMAJPJCHIMZNI-UHFFFAOYSA-N 2 1 253.390 0.742 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268303649 812466531 /nfs/dbraw/zinc/46/65/31/812466531.db2.gz BQXGBTFIKHYRDE-QWHCGFSZSA-N 2 1 269.389 0.112 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028312039 812611450 /nfs/dbraw/zinc/61/14/50/812611450.db2.gz AQLLWOYAZGZAHP-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028312039 812611454 /nfs/dbraw/zinc/61/14/54/812611454.db2.gz AQLLWOYAZGZAHP-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028312039 812611459 /nfs/dbraw/zinc/61/14/59/812611459.db2.gz AQLLWOYAZGZAHP-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001028333098 812623110 /nfs/dbraw/zinc/62/31/10/812623110.db2.gz DHFAIEDATCFJSS-MRXNPFEDSA-N 2 1 287.407 0.545 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028462115 812730124 /nfs/dbraw/zinc/73/01/24/812730124.db2.gz YFYYXZVHGLTIBH-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028462115 812730129 /nfs/dbraw/zinc/73/01/29/812730129.db2.gz YFYYXZVHGLTIBH-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028462115 812730134 /nfs/dbraw/zinc/73/01/34/812730134.db2.gz YFYYXZVHGLTIBH-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028462115 812730140 /nfs/dbraw/zinc/73/01/40/812730140.db2.gz YFYYXZVHGLTIBH-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083373139 812917282 /nfs/dbraw/zinc/91/72/82/812917282.db2.gz SYDCHIAAOVCPDO-RDBSUJKOSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083373139 812917284 /nfs/dbraw/zinc/91/72/84/812917284.db2.gz SYDCHIAAOVCPDO-RDBSUJKOSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373139 812917287 /nfs/dbraw/zinc/91/72/87/812917287.db2.gz SYDCHIAAOVCPDO-RDBSUJKOSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373139 812917291 /nfs/dbraw/zinc/91/72/91/812917291.db2.gz SYDCHIAAOVCPDO-RDBSUJKOSA-N 2 1 281.400 0.208 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268711187 813026359 /nfs/dbraw/zinc/02/63/59/813026359.db2.gz CJPSKXGSNSMZEL-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP C#CCC[NH2+]CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001268797628 813090446 /nfs/dbraw/zinc/09/04/46/813090446.db2.gz VBEJCQPNUAXXGR-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001269332035 813329416 /nfs/dbraw/zinc/32/94/16/813329416.db2.gz MVHDRGTXXXEFGD-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001269332035 813329421 /nfs/dbraw/zinc/32/94/21/813329421.db2.gz MVHDRGTXXXEFGD-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001270101803 813635050 /nfs/dbraw/zinc/63/50/50/813635050.db2.gz AYQYJWVIWIDVMN-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001270101803 813635053 /nfs/dbraw/zinc/63/50/53/813635053.db2.gz AYQYJWVIWIDVMN-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028983569 813723800 /nfs/dbraw/zinc/72/38/00/813723800.db2.gz CZAYKQYBRJCWST-UONOGXRCSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028983569 813723807 /nfs/dbraw/zinc/72/38/07/813723807.db2.gz CZAYKQYBRJCWST-UONOGXRCSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028983569 813723809 /nfs/dbraw/zinc/72/38/09/813723809.db2.gz CZAYKQYBRJCWST-UONOGXRCSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1CC ZINC001087659419 814182849 /nfs/dbraw/zinc/18/28/49/814182849.db2.gz GEFLTCZAKXMOHQ-UONOGXRCSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1CC ZINC001087659419 814182855 /nfs/dbraw/zinc/18/28/55/814182855.db2.gz GEFLTCZAKXMOHQ-UONOGXRCSA-N 2 1 274.368 0.794 20 30 CCEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001271978016 814660857 /nfs/dbraw/zinc/66/08/57/814660857.db2.gz XMXPPMWBONLBSS-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001271978016 814660861 /nfs/dbraw/zinc/66/08/61/814660861.db2.gz XMXPPMWBONLBSS-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001271978016 814660864 /nfs/dbraw/zinc/66/08/64/814660864.db2.gz XMXPPMWBONLBSS-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974063 816030748 /nfs/dbraw/zinc/03/07/48/816030748.db2.gz MJRIJYCQALKKFV-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974063 816030756 /nfs/dbraw/zinc/03/07/56/816030756.db2.gz MJRIJYCQALKKFV-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980905 816202138 /nfs/dbraw/zinc/20/21/38/816202138.db2.gz WCFAUQLJIGOMLW-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001088980905 816202142 /nfs/dbraw/zinc/20/21/42/816202142.db2.gz WCFAUQLJIGOMLW-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001088980905 816202147 /nfs/dbraw/zinc/20/21/47/816202147.db2.gz WCFAUQLJIGOMLW-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046855541 816938503 /nfs/dbraw/zinc/93/85/03/816938503.db2.gz UHRKAOCYSAEDIQ-UKRRQHHQSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046855541 816938511 /nfs/dbraw/zinc/93/85/11/816938511.db2.gz UHRKAOCYSAEDIQ-UKRRQHHQSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046855541 816938518 /nfs/dbraw/zinc/93/85/18/816938518.db2.gz UHRKAOCYSAEDIQ-UKRRQHHQSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046855541 816938525 /nfs/dbraw/zinc/93/85/25/816938525.db2.gz UHRKAOCYSAEDIQ-UKRRQHHQSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675968 817237239 /nfs/dbraw/zinc/23/72/39/817237239.db2.gz XXPVJANXAQMTKR-AWEZNQCLSA-N 2 1 261.369 0.009 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](C)OC)C1 ZINC001031740681 817304727 /nfs/dbraw/zinc/30/47/27/817304727.db2.gz IMCGLFYERKLIHO-HIFRSBDPSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](C)OC)C1 ZINC001031740681 817304738 /nfs/dbraw/zinc/30/47/38/817304738.db2.gz IMCGLFYERKLIHO-HIFRSBDPSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031767130 817351134 /nfs/dbraw/zinc/35/11/34/817351134.db2.gz RWSJXLSFKNSADG-CABCVRRESA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031767130 817351142 /nfs/dbraw/zinc/35/11/42/817351142.db2.gz RWSJXLSFKNSADG-CABCVRRESA-N 2 1 275.396 0.685 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948462 817484278 /nfs/dbraw/zinc/48/42/78/817484278.db2.gz BPUBMKDRGIKQAR-UHFFFAOYSA-N 2 1 263.385 0.400 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077679122 817983785 /nfs/dbraw/zinc/98/37/85/817983785.db2.gz HWIULBYEJYYAFG-MGPQQGTHSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212462794 818137666 /nfs/dbraw/zinc/13/76/66/818137666.db2.gz KFERXEDVVBRBMT-MGPQQGTHSA-N 2 1 283.416 0.718 20 30 CCEDMP C#CC[NH2+]CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001273017941 818429955 /nfs/dbraw/zinc/42/99/55/818429955.db2.gz FGRNXPZAHASHFW-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033095504 818512347 /nfs/dbraw/zinc/51/23/47/818512347.db2.gz YSFYUWXLYWJTPU-HZSPNIEDSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095504 818512349 /nfs/dbraw/zinc/51/23/49/818512349.db2.gz YSFYUWXLYWJTPU-HZSPNIEDSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095504 818512356 /nfs/dbraw/zinc/51/23/56/818512356.db2.gz YSFYUWXLYWJTPU-HZSPNIEDSA-N 2 1 263.385 0.493 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033185751 818634504 /nfs/dbraw/zinc/63/45/04/818634504.db2.gz PSLDEWNVFPWBRK-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033185751 818634509 /nfs/dbraw/zinc/63/45/09/818634509.db2.gz PSLDEWNVFPWBRK-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033185751 818634513 /nfs/dbraw/zinc/63/45/13/818634513.db2.gz PSLDEWNVFPWBRK-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033185751 818634518 /nfs/dbraw/zinc/63/45/18/818634518.db2.gz PSLDEWNVFPWBRK-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128783080 819009033 /nfs/dbraw/zinc/00/90/33/819009033.db2.gz FDGJREYSTSHOKE-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034535815 819234819 /nfs/dbraw/zinc/23/48/19/819234819.db2.gz VYCAHZCTQAHYTK-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535815 819234826 /nfs/dbraw/zinc/23/48/26/819234826.db2.gz VYCAHZCTQAHYTK-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535815 819234831 /nfs/dbraw/zinc/23/48/31/819234831.db2.gz VYCAHZCTQAHYTK-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535815 819234837 /nfs/dbraw/zinc/23/48/37/819234837.db2.gz VYCAHZCTQAHYTK-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034647342 819270156 /nfs/dbraw/zinc/27/01/56/819270156.db2.gz FTMJGWOZYXSQMU-KBUPBQIOSA-N 2 1 277.412 0.977 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694552 820825530 /nfs/dbraw/zinc/82/55/30/820825530.db2.gz ITYYZUBDKNBRGD-KBUPBQIOSA-N 2 1 293.411 0.165 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694552 820825541 /nfs/dbraw/zinc/82/55/41/820825541.db2.gz ITYYZUBDKNBRGD-KBUPBQIOSA-N 2 1 293.411 0.165 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694552 820825552 /nfs/dbraw/zinc/82/55/52/820825552.db2.gz ITYYZUBDKNBRGD-KBUPBQIOSA-N 2 1 293.411 0.165 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694552 820825562 /nfs/dbraw/zinc/82/55/62/820825562.db2.gz ITYYZUBDKNBRGD-KBUPBQIOSA-N 2 1 293.411 0.165 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082096075 820893995 /nfs/dbraw/zinc/89/39/95/820893995.db2.gz XMMGISHRQPHZIP-HUUCEWRRSA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082096075 820894002 /nfs/dbraw/zinc/89/40/02/820894002.db2.gz XMMGISHRQPHZIP-HUUCEWRRSA-N 2 1 293.411 0.167 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166694889 821283999 /nfs/dbraw/zinc/28/39/99/821283999.db2.gz YIVUWVOZKLJQCB-UONOGXRCSA-N 2 1 283.416 0.483 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085032347 821467823 /nfs/dbraw/zinc/46/78/23/821467823.db2.gz CGCKUGGHRSZFKT-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085032347 821467824 /nfs/dbraw/zinc/46/78/24/821467824.db2.gz CGCKUGGHRSZFKT-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085032347 821467826 /nfs/dbraw/zinc/46/78/26/821467826.db2.gz CGCKUGGHRSZFKT-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085972644 822047670 /nfs/dbraw/zinc/04/76/70/822047670.db2.gz FIIBEEPHHWQWMK-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085972644 822047678 /nfs/dbraw/zinc/04/76/78/822047678.db2.gz FIIBEEPHHWQWMK-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085972644 822047688 /nfs/dbraw/zinc/04/76/88/822047688.db2.gz FIIBEEPHHWQWMK-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085972644 822047697 /nfs/dbraw/zinc/04/76/97/822047697.db2.gz FIIBEEPHHWQWMK-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085972644 822047707 /nfs/dbraw/zinc/04/77/07/822047707.db2.gz FIIBEEPHHWQWMK-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001114093872 837435241 /nfs/dbraw/zinc/43/52/41/837435241.db2.gz WOJMMBXPUXIEAD-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001114093872 837435244 /nfs/dbraw/zinc/43/52/44/837435244.db2.gz WOJMMBXPUXIEAD-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001114093872 837435249 /nfs/dbraw/zinc/43/52/49/837435249.db2.gz WOJMMBXPUXIEAD-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114093872 837435251 /nfs/dbraw/zinc/43/52/51/837435251.db2.gz WOJMMBXPUXIEAD-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114093872 837435255 /nfs/dbraw/zinc/43/52/55/837435255.db2.gz WOJMMBXPUXIEAD-BARDWOONSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363473 836525396 /nfs/dbraw/zinc/52/53/96/836525396.db2.gz GRGWTDBYPBIWJS-AWEZNQCLSA-N 2 1 281.400 0.522 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090436384 836781690 /nfs/dbraw/zinc/78/16/90/836781690.db2.gz QDDDSIPDDJZVEI-LSDHHAIUSA-N 2 1 298.346 0.133 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131387430 838081555 /nfs/dbraw/zinc/08/15/55/838081555.db2.gz PBZSHFFFSVMPSS-UHFFFAOYSA-N 2 1 250.346 0.864 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132409743 838388391 /nfs/dbraw/zinc/38/83/91/838388391.db2.gz DNZREUDXLDAAFA-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409743 838388399 /nfs/dbraw/zinc/38/83/99/838388399.db2.gz DNZREUDXLDAAFA-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409743 838388401 /nfs/dbraw/zinc/38/84/01/838388401.db2.gz DNZREUDXLDAAFA-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133869963 838762342 /nfs/dbraw/zinc/76/23/42/838762342.db2.gz OSYIDYMOYKZDQD-LBPRGKRZSA-N 2 1 262.357 0.646 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135905565 839462445 /nfs/dbraw/zinc/46/24/45/839462445.db2.gz AQJFGHSGHPWBHG-UHFFFAOYSA-N 2 1 283.335 0.610 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246019923 839582401 /nfs/dbraw/zinc/58/24/01/839582401.db2.gz JBNPXOTZVRZKMF-HZSPNIEDSA-N 2 1 254.374 0.304 20 30 CCEDMP C=CCOC1CCC([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246304935 839779484 /nfs/dbraw/zinc/77/94/84/839779484.db2.gz IWJZNBMFHRYRIK-BLYZHGLHSA-N 2 1 254.374 0.670 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCNC(=O)C1 ZINC001246307316 839780584 /nfs/dbraw/zinc/78/05/84/839780584.db2.gz MKCGUNVGMMUAIO-NEPJUHHUSA-N 2 1 283.372 0.081 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001091360462 840190053 /nfs/dbraw/zinc/19/00/53/840190053.db2.gz CKCDPCNVUHUILR-CPCZMJQVSA-N 2 1 251.374 0.609 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146594780 840332370 /nfs/dbraw/zinc/33/23/70/840332370.db2.gz UTCVHGXPRKQCBJ-OLZOCXBDSA-N 2 1 253.390 0.833 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001148651387 840865330 /nfs/dbraw/zinc/86/53/30/840865330.db2.gz DWUNMNXKFIPCHN-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148651387 840865341 /nfs/dbraw/zinc/86/53/41/840865341.db2.gz DWUNMNXKFIPCHN-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148651387 840865351 /nfs/dbraw/zinc/86/53/51/840865351.db2.gz DWUNMNXKFIPCHN-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001086863365 840932257 /nfs/dbraw/zinc/93/22/57/840932257.db2.gz ULTUFGWIJNSXEC-UXLLHSPISA-N 2 1 289.423 0.980 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)CC[C@@H]21 ZINC001036855284 841382308 /nfs/dbraw/zinc/38/23/08/841382308.db2.gz YOTFWNDGRILAFZ-KGLIPLIRSA-N 2 1 286.379 0.898 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036869939 841431353 /nfs/dbraw/zinc/43/13/53/841431353.db2.gz MQULHGCGZZUKCW-CABCVRRESA-N 2 1 287.407 0.638 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180138544 843105786 /nfs/dbraw/zinc/10/57/86/843105786.db2.gz ICCDAIBRLDSUAS-IHRRRGAJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001273467527 843303139 /nfs/dbraw/zinc/30/31/39/843303139.db2.gz UKURJUITXWOUGE-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181821991 843621189 /nfs/dbraw/zinc/62/11/89/843621189.db2.gz LWRMKHWNSZGMBD-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181821991 843621193 /nfs/dbraw/zinc/62/11/93/843621193.db2.gz LWRMKHWNSZGMBD-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115081306 843634038 /nfs/dbraw/zinc/63/40/38/843634038.db2.gz PAKGDSBQCFWCBZ-FOLVSLTJSA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115081306 843634041 /nfs/dbraw/zinc/63/40/41/843634041.db2.gz PAKGDSBQCFWCBZ-FOLVSLTJSA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115081306 843634048 /nfs/dbraw/zinc/63/40/48/843634048.db2.gz PAKGDSBQCFWCBZ-FOLVSLTJSA-N 2 1 295.427 0.577 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)NC1C[NH+](C(C)C)C1 ZINC001183080245 843960610 /nfs/dbraw/zinc/96/06/10/843960610.db2.gz OGXRMSHINSBNBH-UHFFFAOYSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516783 845154811 /nfs/dbraw/zinc/15/48/11/845154811.db2.gz LQRSHPPYWGGFAC-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516783 845154814 /nfs/dbraw/zinc/15/48/14/845154814.db2.gz LQRSHPPYWGGFAC-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189516783 845154820 /nfs/dbraw/zinc/15/48/20/845154820.db2.gz LQRSHPPYWGGFAC-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189516783 845154826 /nfs/dbraw/zinc/15/48/26/845154826.db2.gz LQRSHPPYWGGFAC-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221873 845357159 /nfs/dbraw/zinc/35/71/59/845357159.db2.gz RIWRNHCXXJEPBI-CVEARBPZSA-N 2 1 289.423 0.884 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039354 845779158 /nfs/dbraw/zinc/77/91/58/845779158.db2.gz XZDDTKHEXQFTTI-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001193289891 846045264 /nfs/dbraw/zinc/04/52/64/846045264.db2.gz BEKYIYKBBNOGGZ-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC#CCOC)C1 ZINC001193289891 846045267 /nfs/dbraw/zinc/04/52/67/846045267.db2.gz BEKYIYKBBNOGGZ-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC#CCOC)C1 ZINC001193289891 846045275 /nfs/dbraw/zinc/04/52/75/846045275.db2.gz BEKYIYKBBNOGGZ-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193893066 846176940 /nfs/dbraw/zinc/17/69/40/846176940.db2.gz YJXGLCPEFFLNLU-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193893066 846176943 /nfs/dbraw/zinc/17/69/43/846176943.db2.gz YJXGLCPEFFLNLU-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193893066 846176948 /nfs/dbraw/zinc/17/69/48/846176948.db2.gz YJXGLCPEFFLNLU-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002289 846202404 /nfs/dbraw/zinc/20/24/04/846202404.db2.gz QSXPFAIFBRUMCC-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002289 846202414 /nfs/dbraw/zinc/20/24/14/846202414.db2.gz QSXPFAIFBRUMCC-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002289 846202424 /nfs/dbraw/zinc/20/24/24/846202424.db2.gz QSXPFAIFBRUMCC-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194154692 846223570 /nfs/dbraw/zinc/22/35/70/846223570.db2.gz MRLPKLLLUNPGCN-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001194154692 846223584 /nfs/dbraw/zinc/22/35/84/846223584.db2.gz MRLPKLLLUNPGCN-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001194154692 846223597 /nfs/dbraw/zinc/22/35/97/846223597.db2.gz MRLPKLLLUNPGCN-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194154692 846223605 /nfs/dbraw/zinc/22/36/05/846223605.db2.gz MRLPKLLLUNPGCN-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194154692 846223616 /nfs/dbraw/zinc/22/36/16/846223616.db2.gz MRLPKLLLUNPGCN-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194155806 846224534 /nfs/dbraw/zinc/22/45/34/846224534.db2.gz VXMRUSFKOJSBOK-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001194155806 846224553 /nfs/dbraw/zinc/22/45/53/846224553.db2.gz VXMRUSFKOJSBOK-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194155806 846224565 /nfs/dbraw/zinc/22/45/65/846224565.db2.gz VXMRUSFKOJSBOK-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194155806 846224571 /nfs/dbraw/zinc/22/45/71/846224571.db2.gz VXMRUSFKOJSBOK-HUUCEWRRSA-N 2 1 293.411 0.263 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195829678 846635454 /nfs/dbraw/zinc/63/54/54/846635454.db2.gz UPYAMTMTGKSRBI-HUUCEWRRSA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196268631 846716254 /nfs/dbraw/zinc/71/62/54/846716254.db2.gz XTOOCIVSHOCNIB-FRRDWIJNSA-N 2 1 269.389 0.064 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196268631 846716258 /nfs/dbraw/zinc/71/62/58/846716258.db2.gz XTOOCIVSHOCNIB-FRRDWIJNSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097805 847043051 /nfs/dbraw/zinc/04/30/51/847043051.db2.gz IAKZBSDFHWLMGV-OAHLLOKOSA-N 2 1 295.427 0.675 20 30 CCEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097805 847043057 /nfs/dbraw/zinc/04/30/57/847043057.db2.gz IAKZBSDFHWLMGV-OAHLLOKOSA-N 2 1 295.427 0.675 20 30 CCEDMP COCC#CC[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203925916 847229947 /nfs/dbraw/zinc/22/99/47/847229947.db2.gz ZNTFOFYIWIRUES-UHFFFAOYSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111809 847234228 /nfs/dbraw/zinc/23/42/28/847234228.db2.gz NAJTZVADJWFSBY-RRFJBIMHSA-N 2 1 297.443 0.843 20 30 CCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111809 847234232 /nfs/dbraw/zinc/23/42/32/847234232.db2.gz NAJTZVADJWFSBY-RRFJBIMHSA-N 2 1 297.443 0.843 20 30 CCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111809 847234241 /nfs/dbraw/zinc/23/42/41/847234241.db2.gz NAJTZVADJWFSBY-RRFJBIMHSA-N 2 1 297.443 0.843 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200696139 847680568 /nfs/dbraw/zinc/68/05/68/847680568.db2.gz HYKJNVMPNJAVKX-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059475 847851121 /nfs/dbraw/zinc/85/11/21/847851121.db2.gz PWTVOPBPSNZABY-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202165624 847861270 /nfs/dbraw/zinc/86/12/70/847861270.db2.gz SBXSATCJGIRSJV-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001274732191 848553966 /nfs/dbraw/zinc/55/39/66/848553966.db2.gz XDDWMOWUAZDCCN-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CC[NH+]1CCC(CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001274936152 848596763 /nfs/dbraw/zinc/59/67/63/848596763.db2.gz CVIRAYCYRMOUQG-AWEZNQCLSA-N 2 1 295.427 0.457 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114626384 849334458 /nfs/dbraw/zinc/33/44/58/849334458.db2.gz DXZOIVYLWSQLTB-FOLVSLTJSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114741634 849383762 /nfs/dbraw/zinc/38/37/62/849383762.db2.gz STBJLPGEABQEIA-WDNDVIMCSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041828866 850505966 /nfs/dbraw/zinc/50/59/66/850505966.db2.gz JKSKANJXVVXEDH-HOCLYGCPSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041828866 850505972 /nfs/dbraw/zinc/50/59/72/850505972.db2.gz JKSKANJXVVXEDH-HOCLYGCPSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041828866 850505985 /nfs/dbraw/zinc/50/59/85/850505985.db2.gz JKSKANJXVVXEDH-HOCLYGCPSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041832424 850509665 /nfs/dbraw/zinc/50/96/65/850509665.db2.gz YHEFALGQGPCYSD-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041832424 850509668 /nfs/dbraw/zinc/50/96/68/850509668.db2.gz YHEFALGQGPCYSD-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041832424 850509671 /nfs/dbraw/zinc/50/96/71/850509671.db2.gz YHEFALGQGPCYSD-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001044778913 851156499 /nfs/dbraw/zinc/15/64/99/851156499.db2.gz BTZHVCPIILSCKW-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048719617 852031026 /nfs/dbraw/zinc/03/10/26/852031026.db2.gz BGTBHYROUWIHBI-MJBXVCDLSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048719617 852031029 /nfs/dbraw/zinc/03/10/29/852031029.db2.gz BGTBHYROUWIHBI-MJBXVCDLSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048719617 852031033 /nfs/dbraw/zinc/03/10/33/852031033.db2.gz BGTBHYROUWIHBI-MJBXVCDLSA-N 2 1 263.385 0.657 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001048890425 852099381 /nfs/dbraw/zinc/09/93/81/852099381.db2.gz HKNSEXZCPAFOKA-HZSPNIEDSA-N 2 1 263.385 0.350 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049008980 852138940 /nfs/dbraw/zinc/13/89/40/852138940.db2.gz YGEYHAVFMSRYRN-YHUYYLMFSA-N 2 1 289.423 0.740 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049008980 852138944 /nfs/dbraw/zinc/13/89/44/852138944.db2.gz YGEYHAVFMSRYRN-YHUYYLMFSA-N 2 1 289.423 0.740 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049008980 852138950 /nfs/dbraw/zinc/13/89/50/852138950.db2.gz YGEYHAVFMSRYRN-YHUYYLMFSA-N 2 1 289.423 0.740 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058486 852149912 /nfs/dbraw/zinc/14/99/12/852149912.db2.gz DXDXWXBZEIUROU-KFWWJZLASA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058486 852149917 /nfs/dbraw/zinc/14/99/17/852149917.db2.gz DXDXWXBZEIUROU-KFWWJZLASA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058486 852149925 /nfs/dbraw/zinc/14/99/25/852149925.db2.gz DXDXWXBZEIUROU-KFWWJZLASA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC001049174046 852185176 /nfs/dbraw/zinc/18/51/76/852185176.db2.gz LSGDNYWVRREALQ-OKILXGFUSA-N 2 1 298.390 0.785 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC001049174046 852185179 /nfs/dbraw/zinc/18/51/79/852185179.db2.gz LSGDNYWVRREALQ-OKILXGFUSA-N 2 1 298.390 0.785 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096543584 852303897 /nfs/dbraw/zinc/30/38/97/852303897.db2.gz YAYQKZXGIJAJRI-MQYQWHSLSA-N 2 1 261.369 0.293 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001096543584 852303903 /nfs/dbraw/zinc/30/39/03/852303903.db2.gz YAYQKZXGIJAJRI-MQYQWHSLSA-N 2 1 261.369 0.293 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001096543584 852303914 /nfs/dbraw/zinc/30/39/14/852303914.db2.gz YAYQKZXGIJAJRI-MQYQWHSLSA-N 2 1 261.369 0.293 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001096543584 852303924 /nfs/dbraw/zinc/30/39/24/852303924.db2.gz YAYQKZXGIJAJRI-MQYQWHSLSA-N 2 1 261.369 0.293 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001054748510 853008343 /nfs/dbraw/zinc/00/83/43/853008343.db2.gz NOJCRYQLFBKDRX-JSGCOSHPSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001050592837 853401690 /nfs/dbraw/zinc/40/16/90/853401690.db2.gz YMWQWEHAXGYNOL-UHFFFAOYSA-N 2 1 286.379 0.749 20 30 CCEDMP CCNC(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)=[NH+]CC ZINC000395587550 854334470 /nfs/dbraw/zinc/33/44/70/854334470.db2.gz ZADAKFAXKYGDLL-NWDGAFQWSA-N 2 1 254.378 0.425 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001072983095 854508137 /nfs/dbraw/zinc/50/81/37/854508137.db2.gz LAIWOFLGBLSVFI-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001072983095 854508140 /nfs/dbraw/zinc/50/81/40/854508140.db2.gz LAIWOFLGBLSVFI-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001072983095 854508144 /nfs/dbraw/zinc/50/81/44/854508144.db2.gz LAIWOFLGBLSVFI-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001073128030 854534787 /nfs/dbraw/zinc/53/47/87/854534787.db2.gz OPJYYLBWSVHOQZ-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073128030 854534794 /nfs/dbraw/zinc/53/47/94/854534794.db2.gz OPJYYLBWSVHOQZ-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073128030 854534804 /nfs/dbraw/zinc/53/48/04/854534804.db2.gz OPJYYLBWSVHOQZ-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001098946140 854899567 /nfs/dbraw/zinc/89/95/67/854899567.db2.gz DPVSNGASTKMWOT-HOCLYGCPSA-N 2 1 286.379 0.795 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001098946140 854899569 /nfs/dbraw/zinc/89/95/69/854899569.db2.gz DPVSNGASTKMWOT-HOCLYGCPSA-N 2 1 286.379 0.795 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099899698 855024566 /nfs/dbraw/zinc/02/45/66/855024566.db2.gz XBSGJYPCMNNMDZ-KGLIPLIRSA-N 2 1 295.427 0.291 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899698 855024575 /nfs/dbraw/zinc/02/45/75/855024575.db2.gz XBSGJYPCMNNMDZ-KGLIPLIRSA-N 2 1 295.427 0.291 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899698 855024586 /nfs/dbraw/zinc/02/45/86/855024586.db2.gz XBSGJYPCMNNMDZ-KGLIPLIRSA-N 2 1 295.427 0.291 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971567 855055549 /nfs/dbraw/zinc/05/55/49/855055549.db2.gz JWQONOCUDBQXBD-KBPBESRZSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124738 855102034 /nfs/dbraw/zinc/10/20/34/855102034.db2.gz MOKJGYSKBWNZAQ-HUUCEWRRSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100126054 855104770 /nfs/dbraw/zinc/10/47/70/855104770.db2.gz ARGRKMUPUGSFNC-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100126054 855104772 /nfs/dbraw/zinc/10/47/72/855104772.db2.gz ARGRKMUPUGSFNC-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001112285095 855623979 /nfs/dbraw/zinc/62/39/79/855623979.db2.gz LMTNOBYGTAZDDR-ZOBUZTSGSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125753 855643754 /nfs/dbraw/zinc/64/37/54/855643754.db2.gz BPPBPCDQIJQAPB-FOLVSLTJSA-N 2 1 295.427 0.577 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001323339190 912279869 /nfs/dbraw/zinc/27/98/69/912279869.db2.gz FGJVRUGYSSMUDC-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001323339190 912279885 /nfs/dbraw/zinc/27/98/85/912279885.db2.gz FGJVRUGYSSMUDC-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001323339190 912279903 /nfs/dbraw/zinc/27/99/03/912279903.db2.gz FGJVRUGYSSMUDC-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001323339190 912279917 /nfs/dbraw/zinc/27/99/17/912279917.db2.gz FGJVRUGYSSMUDC-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001323337520 912284240 /nfs/dbraw/zinc/28/42/40/912284240.db2.gz WZRUZBBTPBETFV-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001323337520 912284245 /nfs/dbraw/zinc/28/42/45/912284245.db2.gz WZRUZBBTPBETFV-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001323337520 912284263 /nfs/dbraw/zinc/28/42/63/912284263.db2.gz WZRUZBBTPBETFV-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001323337520 912284286 /nfs/dbraw/zinc/28/42/86/912284286.db2.gz WZRUZBBTPBETFV-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CC#C)CC1 ZINC001324441205 912846310 /nfs/dbraw/zinc/84/63/10/912846310.db2.gz LUHQELWSYHXLSV-UHFFFAOYSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001325110577 913217524 /nfs/dbraw/zinc/21/75/24/913217524.db2.gz NHMUZUZPLBNIGQ-HNNXBMFYSA-N 2 1 292.383 0.321 20 30 CCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001325110577 913217542 /nfs/dbraw/zinc/21/75/42/913217542.db2.gz NHMUZUZPLBNIGQ-HNNXBMFYSA-N 2 1 292.383 0.321 20 30 CCEDMP C=C(C)C[N@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001480925424 891837354 /nfs/dbraw/zinc/83/73/54/891837354.db2.gz FZSJEOANLLJIGJ-UHFFFAOYSA-N 2 1 269.389 0.333 20 30 CCEDMP C=C(C)C[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001480925424 891837373 /nfs/dbraw/zinc/83/73/73/891837373.db2.gz FZSJEOANLLJIGJ-UHFFFAOYSA-N 2 1 269.389 0.333 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001481054699 892117045 /nfs/dbraw/zinc/11/70/45/892117045.db2.gz QPQDUBOCPZCPJG-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001481070096 892128560 /nfs/dbraw/zinc/12/85/60/892128560.db2.gz MKTVTWYPAQNXAE-CYBMUJFWSA-N 2 1 251.374 0.849 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001481708422 893059862 /nfs/dbraw/zinc/05/98/62/893059862.db2.gz NPPGDGXMFRVLFC-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001481708422 893059880 /nfs/dbraw/zinc/05/98/80/893059880.db2.gz NPPGDGXMFRVLFC-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001481708422 893059901 /nfs/dbraw/zinc/05/99/01/893059901.db2.gz NPPGDGXMFRVLFC-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001481738675 893105229 /nfs/dbraw/zinc/10/52/29/893105229.db2.gz NVLATPWCENVPAA-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001482171316 893455502 /nfs/dbraw/zinc/45/55/02/893455502.db2.gz DUIYUJVRIPXETM-UONOGXRCSA-N 2 1 283.416 0.625 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001482171316 893455503 /nfs/dbraw/zinc/45/55/03/893455503.db2.gz DUIYUJVRIPXETM-UONOGXRCSA-N 2 1 283.416 0.625 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001482238476 893632835 /nfs/dbraw/zinc/63/28/35/893632835.db2.gz RNRRSYSZCOWMCE-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001482238476 893632841 /nfs/dbraw/zinc/63/28/41/893632841.db2.gz RNRRSYSZCOWMCE-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001482744697 894562602 /nfs/dbraw/zinc/56/26/02/894562602.db2.gz AKFTXFUADPRSFS-ZIAGYGMSSA-N 2 1 283.416 0.360 20 30 CCEDMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001484081819 896184723 /nfs/dbraw/zinc/18/47/23/896184723.db2.gz BNHMRYJROGPLDL-GDBMZVCRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484126109 896202855 /nfs/dbraw/zinc/20/28/55/896202855.db2.gz TUSQKPKPBKHHPZ-ZFWWWQNUSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484126104 896203360 /nfs/dbraw/zinc/20/33/60/896203360.db2.gz TUSQKPKPBKHHPZ-HIFRSBDPSA-N 2 1 263.385 0.400 20 30 CCEDMP C=CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484450612 896409822 /nfs/dbraw/zinc/40/98/22/896409822.db2.gz UBQIPIIVQCOTKR-ZFWWWQNUSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484450612 896409828 /nfs/dbraw/zinc/40/98/28/896409828.db2.gz UBQIPIIVQCOTKR-ZFWWWQNUSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484450612 896409831 /nfs/dbraw/zinc/40/98/31/896409831.db2.gz UBQIPIIVQCOTKR-ZFWWWQNUSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001484446685 896415531 /nfs/dbraw/zinc/41/55/31/896415531.db2.gz TVUGBQMSWXZRQV-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001484446685 896415536 /nfs/dbraw/zinc/41/55/36/896415536.db2.gz TVUGBQMSWXZRQV-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001484446685 896415541 /nfs/dbraw/zinc/41/55/41/896415541.db2.gz TVUGBQMSWXZRQV-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C#CC[NH+](C)CCCN(C)C(=O)C[N@H+](C)CCC ZINC001484763700 896582387 /nfs/dbraw/zinc/58/23/87/896582387.db2.gz BWHLJCYCNKNXDR-UHFFFAOYSA-N 2 1 253.390 0.742 20 30 CCEDMP C#CC[N@@H+](C)CCCN(C)C(=O)C[NH+](C)CCC ZINC001484763700 896582402 /nfs/dbraw/zinc/58/24/02/896582402.db2.gz BWHLJCYCNKNXDR-UHFFFAOYSA-N 2 1 253.390 0.742 20 30 CCEDMP C#CC[N@H+](C)CCCN(C)C(=O)C[NH+](C)CCC ZINC001484763700 896582417 /nfs/dbraw/zinc/58/24/17/896582417.db2.gz BWHLJCYCNKNXDR-UHFFFAOYSA-N 2 1 253.390 0.742 20 30 CCEDMP CC#CC[NH2+]CC1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001485110307 896788843 /nfs/dbraw/zinc/78/88/43/896788843.db2.gz DMUVTPABPCWYDN-UHFFFAOYSA-N 2 1 265.401 0.834 20 30 CCEDMP C=CCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001492857991 914119419 /nfs/dbraw/zinc/11/94/19/914119419.db2.gz UDRZPFYYQCTPBK-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001492857991 914119434 /nfs/dbraw/zinc/11/94/34/914119434.db2.gz UDRZPFYYQCTPBK-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001492857991 914119442 /nfs/dbraw/zinc/11/94/42/914119442.db2.gz UDRZPFYYQCTPBK-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001485505902 897094681 /nfs/dbraw/zinc/09/46/81/897094681.db2.gz IYGAEOJNDMMTNF-TZMCWYRMSA-N 2 1 283.391 0.736 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001486304147 898768165 /nfs/dbraw/zinc/76/81/65/898768165.db2.gz ZJBRJBMWTUTJOX-CYBMUJFWSA-N 2 1 294.399 0.601 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCO1 ZINC001280628365 899900871 /nfs/dbraw/zinc/90/08/71/899900871.db2.gz JOVKXEICSLQNIS-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCF)CC1 ZINC001492873618 914688512 /nfs/dbraw/zinc/68/85/12/914688512.db2.gz NAQKWOCRUSWBBI-UHFFFAOYSA-N 2 1 269.364 0.349 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001329550160 903807536 /nfs/dbraw/zinc/80/75/36/903807536.db2.gz PNRQKADXTZBVKT-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001329550160 903807541 /nfs/dbraw/zinc/80/75/41/903807541.db2.gz PNRQKADXTZBVKT-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001329550160 903807552 /nfs/dbraw/zinc/80/75/52/903807552.db2.gz PNRQKADXTZBVKT-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001282205307 904432086 /nfs/dbraw/zinc/43/20/86/904432086.db2.gz DZSWTWSSPAWNLM-STQMWFEESA-N 2 1 297.362 0.997 20 30 CCEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001283189963 904743064 /nfs/dbraw/zinc/74/30/64/904743064.db2.gz BTINEVNQRFWOFT-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001283632023 904938366 /nfs/dbraw/zinc/93/83/66/904938366.db2.gz NAEBIHBMKUSIRR-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001284416796 905280019 /nfs/dbraw/zinc/28/00/19/905280019.db2.gz PZPKYIXEABBLQX-ZDUSSCGKSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001491686469 907503114 /nfs/dbraw/zinc/50/31/14/907503114.db2.gz VWEDXEZEQCUYMG-NWDGAFQWSA-N 2 1 289.807 0.554 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001491686469 907503130 /nfs/dbraw/zinc/50/31/30/907503130.db2.gz VWEDXEZEQCUYMG-NWDGAFQWSA-N 2 1 289.807 0.554 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001491812113 907615724 /nfs/dbraw/zinc/61/57/24/907615724.db2.gz ISSHXXGNIJGGIS-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001317359752 908179279 /nfs/dbraw/zinc/17/92/79/908179279.db2.gz OVLFANNTJBJQRU-LSDHHAIUSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CCC[N@H+](C)CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001316863070 908510489 /nfs/dbraw/zinc/51/04/89/908510489.db2.gz OXQRKTIWTSEBSJ-ZDUSSCGKSA-N 2 1 253.390 0.788 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317145449 909012836 /nfs/dbraw/zinc/01/28/36/909012836.db2.gz AUJFQAJYWFSFSC-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317145449 909012852 /nfs/dbraw/zinc/01/28/52/909012852.db2.gz AUJFQAJYWFSFSC-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317316564 909140396 /nfs/dbraw/zinc/14/03/96/909140396.db2.gz JFZGTHCZLMIEHX-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317316564 909140404 /nfs/dbraw/zinc/14/04/04/909140404.db2.gz JFZGTHCZLMIEHX-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317414139 909185134 /nfs/dbraw/zinc/18/51/34/909185134.db2.gz MDUPSGKWEMJQCI-OLZOCXBDSA-N 2 1 251.374 0.446 20 30 CCEDMP C=CCO[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC001320038718 910426854 /nfs/dbraw/zinc/42/68/54/910426854.db2.gz UZTXJENIFOQXLR-KGLIPLIRSA-N 2 1 254.374 0.720 20 30 CCEDMP C=CCO[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC001320038718 910426865 /nfs/dbraw/zinc/42/68/65/910426865.db2.gz UZTXJENIFOQXLR-KGLIPLIRSA-N 2 1 254.374 0.720 20 30 CCEDMP COCC#CC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001320445735 910676970 /nfs/dbraw/zinc/67/69/70/910676970.db2.gz ITOSUWIOUBGWCA-CQSZACIVSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001323016635 912071567 /nfs/dbraw/zinc/07/15/67/912071567.db2.gz XUJXWBPKFGDCFT-OAHLLOKOSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001331530583 917401747 /nfs/dbraw/zinc/40/17/47/917401747.db2.gz BMVYNYVCDUPRAP-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C[N@H+]1CCCN(CCC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC001336752513 920982654 /nfs/dbraw/zinc/98/26/54/920982654.db2.gz XZHSVCFOMNSIOM-OAHLLOKOSA-N 2 1 294.443 0.658 20 30 CCEDMP C#CC[NH2+]CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC001341847042 922692205 /nfs/dbraw/zinc/69/22/05/922692205.db2.gz JIFGRWJLTBBKIH-UHFFFAOYSA-N 2 1 278.381 0.771 20 30 CCEDMP C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000037864505 348215561 /nfs/dbraw/zinc/21/55/61/348215561.db2.gz CZXJANXNQIZEMW-OAHLLOKOSA-N 2 1 289.379 0.982 20 30 CCEDMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000602877845 362858058 /nfs/dbraw/zinc/85/80/58/362858058.db2.gz SNHGIXPKFHWUON-UKRRQHHQSA-N 2 1 281.400 0.430 20 30 CCEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000602877845 362858062 /nfs/dbraw/zinc/85/80/62/362858062.db2.gz SNHGIXPKFHWUON-UKRRQHHQSA-N 2 1 281.400 0.430 20 30 CCEDMP CCNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000273028186 353109860 /nfs/dbraw/zinc/10/98/60/353109860.db2.gz XRVIYFIIKHXNOY-AWEZNQCLSA-N 2 1 276.384 0.677 20 30 CCEDMP C[N@H+](C[C@H](O)C[NH2+]C1CCN(CC#N)CC1)C1CC1 ZINC000591736938 359651454 /nfs/dbraw/zinc/65/14/54/359651454.db2.gz ZHXPFRAKBTXMAQ-CQSZACIVSA-N 2 1 266.389 0.019 20 30 CCEDMP C[N@@H+](C[C@H](O)C[NH2+]C1CCN(CC#N)CC1)C1CC1 ZINC000591736938 359651457 /nfs/dbraw/zinc/65/14/57/359651457.db2.gz ZHXPFRAKBTXMAQ-CQSZACIVSA-N 2 1 266.389 0.019 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000592135869 359762509 /nfs/dbraw/zinc/76/25/09/359762509.db2.gz JDDSARFDPOKKBJ-CHWSQXEVSA-N 2 1 264.373 0.608 20 30 CCEDMP N#Cc1cnccc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000592470928 359848502 /nfs/dbraw/zinc/84/85/02/359848502.db2.gz VPSIBBCTENHBRI-CYBMUJFWSA-N 2 1 287.367 0.240 20 30 CCEDMP N#Cc1cnccc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000592470928 359848505 /nfs/dbraw/zinc/84/85/05/359848505.db2.gz VPSIBBCTENHBRI-CYBMUJFWSA-N 2 1 287.367 0.240 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594437434 360306000 /nfs/dbraw/zinc/30/60/00/360306000.db2.gz JSXGEXWYGIZPGO-KBPBESRZSA-N 2 1 278.400 0.998 20 30 CCEDMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437918 360307258 /nfs/dbraw/zinc/30/72/58/360307258.db2.gz LMKNDXZCKXEFIK-CHWSQXEVSA-N 2 1 266.389 0.856 20 30 CCEDMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437923 360307588 /nfs/dbraw/zinc/30/75/88/360307588.db2.gz LMKNDXZCKXEFIK-STQMWFEESA-N 2 1 266.389 0.856 20 30 CCEDMP N#Cc1ccc(CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594876139 360407100 /nfs/dbraw/zinc/40/71/00/360407100.db2.gz FQRAAUZSHWFVNU-HUUCEWRRSA-N 2 1 284.363 0.345 20 30 CCEDMP N#Cc1ccc(CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594876139 360407105 /nfs/dbraw/zinc/40/71/05/360407105.db2.gz FQRAAUZSHWFVNU-HUUCEWRRSA-N 2 1 284.363 0.345 20 30 CCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c(C#N)cnn1C ZINC000596363606 360885111 /nfs/dbraw/zinc/88/51/11/360885111.db2.gz SSLSRGZCEIIATJ-LBPRGKRZSA-N 2 1 278.404 0.976 20 30 CCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C#N)[nH]1 ZINC000597943323 361286740 /nfs/dbraw/zinc/28/67/40/361286740.db2.gz YAMWUSLWPAVZBP-LBPRGKRZSA-N 2 1 291.399 0.888 20 30 CCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C#N)[nH]1 ZINC000597943323 361286742 /nfs/dbraw/zinc/28/67/42/361286742.db2.gz YAMWUSLWPAVZBP-LBPRGKRZSA-N 2 1 291.399 0.888 20 30 CCEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598628204 361467250 /nfs/dbraw/zinc/46/72/50/361467250.db2.gz LMDLRUIVBSFTFP-HUUCEWRRSA-N 2 1 295.427 0.818 20 30 CCEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598628204 361467256 /nfs/dbraw/zinc/46/72/56/361467256.db2.gz LMDLRUIVBSFTFP-HUUCEWRRSA-N 2 1 295.427 0.818 20 30 CCEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000598730486 361499014 /nfs/dbraw/zinc/49/90/14/361499014.db2.gz WQFRFVXSBUJNOB-CQSZACIVSA-N 2 1 283.416 0.724 20 30 CCEDMP C#C[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000491811390 332363785 /nfs/dbraw/zinc/36/37/85/332363785.db2.gz CRECELHLPVCKMM-LBPRGKRZSA-N 2 1 251.374 0.540 20 30 CCEDMP C#C[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000491811390 332363787 /nfs/dbraw/zinc/36/37/87/332363787.db2.gz CRECELHLPVCKMM-LBPRGKRZSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000305102766 389084651 /nfs/dbraw/zinc/08/46/51/389084651.db2.gz YLIJGGPISQSPKX-LSDHHAIUSA-N 2 1 268.401 0.968 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC000109850310 389101074 /nfs/dbraw/zinc/10/10/74/389101074.db2.gz WCOXUYGCRMUGND-ZDUSSCGKSA-N 2 1 263.385 0.400 20 30 CCEDMP C=CCC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000247962878 389243114 /nfs/dbraw/zinc/24/31/14/389243114.db2.gz GLHLOZWTQSTCLH-GJZGRUSLSA-N 2 1 295.427 0.552 20 30 CCEDMP C=CCC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000247962878 389243118 /nfs/dbraw/zinc/24/31/18/389243118.db2.gz GLHLOZWTQSTCLH-GJZGRUSLSA-N 2 1 295.427 0.552 20 30 CCEDMP CC#CCCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000156480141 389326097 /nfs/dbraw/zinc/32/60/97/389326097.db2.gz XOBPPDXXDIRWFO-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CCNC(NCC1([NH+](C)C)Cc2ccccc2C1)=[NH+]C ZINC000262355649 389285295 /nfs/dbraw/zinc/28/52/95/389285295.db2.gz FUWKWFNKTLPODN-UHFFFAOYSA-N 2 1 284.407 0.884 20 30 CCEDMP C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152436975 389290435 /nfs/dbraw/zinc/29/04/35/389290435.db2.gz REKXIXYQDWBBJF-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)NCc1ccco1 ZINC000264042123 389304050 /nfs/dbraw/zinc/30/40/50/389304050.db2.gz JCBCGCPXRNGKOV-UHFFFAOYSA-N 2 1 293.415 0.582 20 30 CCEDMP CNC(=[NH2+])NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000264080839 389305484 /nfs/dbraw/zinc/30/54/84/389305484.db2.gz IMISAHDEIRITQU-UHFFFAOYSA-N 2 1 289.383 0.108 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnn(C)c1 ZINC000264128159 389307764 /nfs/dbraw/zinc/30/77/64/389307764.db2.gz WXVAHAHDKKFRGK-LBPRGKRZSA-N 2 1 264.377 0.309 20 30 CCEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C(C)C ZINC000269732115 389426663 /nfs/dbraw/zinc/42/66/63/389426663.db2.gz SJLGZQATELXSFA-OLZOCXBDSA-N 2 1 296.415 0.004 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000491255847 390111117 /nfs/dbraw/zinc/11/11/17/390111117.db2.gz YFSIWRDTWRUUJC-OAHLLOKOSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](CC)C1 ZINC000491255847 390111118 /nfs/dbraw/zinc/11/11/18/390111118.db2.gz YFSIWRDTWRUUJC-OAHLLOKOSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](CC)C1 ZINC000491255847 390111119 /nfs/dbraw/zinc/11/11/19/390111119.db2.gz YFSIWRDTWRUUJC-OAHLLOKOSA-N 2 1 294.443 0.973 20 30 CCEDMP C=CC[C@]1(C(=O)N[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000662691700 414741708 /nfs/dbraw/zinc/74/17/08/414741708.db2.gz HYZZGZLGZAQNMW-TZMCWYRMSA-N 2 1 251.374 0.895 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000491810864 262087409 /nfs/dbraw/zinc/08/74/09/262087409.db2.gz ALXVMGJNAYIXQA-CHWSQXEVSA-N 2 1 266.389 0.320 20 30 CCEDMP CCn1cc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cn1 ZINC000285003104 263089163 /nfs/dbraw/zinc/08/91/63/263089163.db2.gz IEOSICCAGAEKIQ-ZDUSSCGKSA-N 2 1 278.404 0.792 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)CC1(O)CCC1)CC1(O)CCC1 ZINC000341912002 263365845 /nfs/dbraw/zinc/36/58/45/263365845.db2.gz PHJANPBLSOKRSA-UHFFFAOYSA-N 2 1 280.412 0.683 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385307117 545085330 /nfs/dbraw/zinc/08/53/30/545085330.db2.gz ZDUSXXOATQSACE-OBJOEFQTSA-N 2 1 251.374 0.738 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000385307117 545085331 /nfs/dbraw/zinc/08/53/31/545085331.db2.gz ZDUSXXOATQSACE-OBJOEFQTSA-N 2 1 251.374 0.738 20 30 CCEDMP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000262114635 328145169 /nfs/dbraw/zinc/14/51/69/328145169.db2.gz KXHRBAPMAGLTNV-GXTWGEPZSA-N 2 1 290.415 0.893 20 30 CCEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)NC1CC1 ZINC000262427419 330009841 /nfs/dbraw/zinc/00/98/41/330009841.db2.gz DBXMNOXFJGQCOS-GFCCVEGCSA-N 2 1 256.419 0.751 20 30 CCEDMP C[C@@H]1CN(C(=[NH2+])NCCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000262798704 330032336 /nfs/dbraw/zinc/03/23/36/330032336.db2.gz QIKQCCCZTHUGBZ-CYBMUJFWSA-N 2 1 297.447 0.048 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000490897874 332126694 /nfs/dbraw/zinc/12/66/94/332126694.db2.gz GHGQNBRKSVXRPP-ZIAGYGMSSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000491069169 332145243 /nfs/dbraw/zinc/14/52/43/332145243.db2.gz UCKBZVZPQXBVAZ-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000491203857 332165565 /nfs/dbraw/zinc/16/55/65/332165565.db2.gz ZZTKSHDPNOWBNL-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000491203847 332165770 /nfs/dbraw/zinc/16/57/70/332165770.db2.gz ZVINUPWNEYEIRQ-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000491203847 332165771 /nfs/dbraw/zinc/16/57/71/332165771.db2.gz ZVINUPWNEYEIRQ-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000491203847 332165773 /nfs/dbraw/zinc/16/57/73/332165773.db2.gz ZVINUPWNEYEIRQ-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000491631328 332254038 /nfs/dbraw/zinc/25/40/38/332254038.db2.gz NYOGILAVBAUSMX-UKRRQHHQSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000491631328 332254040 /nfs/dbraw/zinc/25/40/40/332254040.db2.gz NYOGILAVBAUSMX-UKRRQHHQSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000491631328 332254041 /nfs/dbraw/zinc/25/40/41/332254041.db2.gz NYOGILAVBAUSMX-UKRRQHHQSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000491644789 332262974 /nfs/dbraw/zinc/26/29/74/332262974.db2.gz LPUPBROGKNIFAU-ZDUSSCGKSA-N 2 1 283.441 0.495 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000491644789 332262976 /nfs/dbraw/zinc/26/29/76/332262976.db2.gz LPUPBROGKNIFAU-ZDUSSCGKSA-N 2 1 283.441 0.495 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000491729145 332311660 /nfs/dbraw/zinc/31/16/60/332311660.db2.gz NHJFZAZBESZRFT-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H]1CC ZINC000491729145 332311662 /nfs/dbraw/zinc/31/16/62/332311662.db2.gz NHJFZAZBESZRFT-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H]1CC ZINC000491729145 332311663 /nfs/dbraw/zinc/31/16/63/332311663.db2.gz NHJFZAZBESZRFT-AWEZNQCLSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000491758885 332330713 /nfs/dbraw/zinc/33/07/13/332330713.db2.gz KIUUAQSUOHBURG-UHFFFAOYSA-N 2 1 292.383 0.052 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000491758885 332330714 /nfs/dbraw/zinc/33/07/14/332330714.db2.gz KIUUAQSUOHBURG-UHFFFAOYSA-N 2 1 292.383 0.052 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC(C)(C)C[NH+](C)C ZINC000491773006 332338993 /nfs/dbraw/zinc/33/89/93/332338993.db2.gz AUYUCXNDLLBRJZ-UHFFFAOYSA-N 2 1 268.405 0.581 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC[NH+](C)C ZINC000491812035 332364280 /nfs/dbraw/zinc/36/42/80/332364280.db2.gz GEOUGLDKHMCVRH-UHFFFAOYSA-N 2 1 254.378 0.145 20 30 CCEDMP C#CCCC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000766895179 581585322 /nfs/dbraw/zinc/58/53/22/581585322.db2.gz JPRHGAMHCVIRMD-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000730105464 581646174 /nfs/dbraw/zinc/64/61/74/581646174.db2.gz JGWGGJZUGGYTFK-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000730105464 581646180 /nfs/dbraw/zinc/64/61/80/581646180.db2.gz JGWGGJZUGGYTFK-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C=CCCC[N@@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000736590324 581800757 /nfs/dbraw/zinc/80/07/57/581800757.db2.gz SXZKMPAQVJCQIV-UHFFFAOYSA-N 2 1 294.399 0.858 20 30 CCEDMP C=CCCC[N@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000736590324 581800758 /nfs/dbraw/zinc/80/07/58/581800758.db2.gz SXZKMPAQVJCQIV-UHFFFAOYSA-N 2 1 294.399 0.858 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000747404120 581938916 /nfs/dbraw/zinc/93/89/16/581938916.db2.gz GKSWBNYSDWMGLU-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000820073606 613047402 /nfs/dbraw/zinc/04/74/02/613047402.db2.gz BQGQUCBJXJQWOQ-ZDUSSCGKSA-N 2 1 268.405 0.581 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000922630277 613076982 /nfs/dbraw/zinc/07/69/82/613076982.db2.gz OYRLISPIBVMYSA-OLZOCXBDSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000922630277 613076983 /nfs/dbraw/zinc/07/69/83/613076983.db2.gz OYRLISPIBVMYSA-OLZOCXBDSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000922630277 613076985 /nfs/dbraw/zinc/07/69/85/613076985.db2.gz OYRLISPIBVMYSA-OLZOCXBDSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000850470993 613079385 /nfs/dbraw/zinc/07/93/85/613079385.db2.gz LBIOLXZQNCONCW-JHJVBQTASA-N 2 1 252.358 0.729 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000876727694 613390230 /nfs/dbraw/zinc/39/02/30/613390230.db2.gz QXXYNRRKANWOEY-QWRGUYRKSA-N 2 1 259.781 0.914 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000965063114 612954577 /nfs/dbraw/zinc/95/45/77/612954577.db2.gz JWIBISPVNDNDND-BSTUBKLYSA-N 2 1 289.423 0.834 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000969950757 612960765 /nfs/dbraw/zinc/96/07/65/612960765.db2.gz JMEBYIMNRSSZRA-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000982150355 613000023 /nfs/dbraw/zinc/00/00/23/613000023.db2.gz CHNFVDNMCKQJJX-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982150355 613000024 /nfs/dbraw/zinc/00/00/24/613000024.db2.gz CHNFVDNMCKQJJX-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982150355 613000025 /nfs/dbraw/zinc/00/00/25/613000025.db2.gz CHNFVDNMCKQJJX-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000981957900 613002717 /nfs/dbraw/zinc/00/27/17/613002717.db2.gz ZLFMNMJYUITLLN-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000981957900 613002719 /nfs/dbraw/zinc/00/27/19/613002719.db2.gz ZLFMNMJYUITLLN-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000981957900 613002721 /nfs/dbraw/zinc/00/27/21/613002721.db2.gz ZLFMNMJYUITLLN-HNNXBMFYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000949862546 613010417 /nfs/dbraw/zinc/01/04/17/613010417.db2.gz HCMXDZDNEMXSBV-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000949862546 613010418 /nfs/dbraw/zinc/01/04/18/613010418.db2.gz HCMXDZDNEMXSBV-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549812 613015040 /nfs/dbraw/zinc/01/50/40/613015040.db2.gz YKQKVOCUAKPWCG-HUUCEWRRSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000958415377 613043550 /nfs/dbraw/zinc/04/35/50/613043550.db2.gz UJVVXCJGLUTLRM-RFQIPJPRSA-N 2 1 261.369 0.150 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958415377 613043552 /nfs/dbraw/zinc/04/35/52/613043552.db2.gz UJVVXCJGLUTLRM-RFQIPJPRSA-N 2 1 261.369 0.150 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958415377 613043553 /nfs/dbraw/zinc/04/35/53/613043553.db2.gz UJVVXCJGLUTLRM-RFQIPJPRSA-N 2 1 261.369 0.150 20 30 CCEDMP C#CCCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000820073606 613047401 /nfs/dbraw/zinc/04/74/01/613047401.db2.gz BQGQUCBJXJQWOQ-ZDUSSCGKSA-N 2 1 268.405 0.581 20 30 CCEDMP C#CCN(C(=O)NC[C@H]1CC[N@@H+]1CC)C1CC[NH+](C)CC1 ZINC000924023426 613067338 /nfs/dbraw/zinc/06/73/38/613067338.db2.gz XOVMXWUZDGOBKP-OAHLLOKOSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000841910477 613073701 /nfs/dbraw/zinc/07/37/01/613073701.db2.gz RIDIJJQZRLQKRP-UHFFFAOYSA-N 2 1 292.427 0.727 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCC[C@@H]1C ZINC000895056120 613075224 /nfs/dbraw/zinc/07/52/24/613075224.db2.gz CJHKNFDNVYOFEP-AWEZNQCLSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000850470993 613079383 /nfs/dbraw/zinc/07/93/83/613079383.db2.gz LBIOLXZQNCONCW-JHJVBQTASA-N 2 1 252.358 0.729 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000971736451 613092587 /nfs/dbraw/zinc/09/25/87/613092587.db2.gz QAABKRWEEXLXAU-KBPBESRZSA-N 2 1 265.401 0.739 20 30 CCEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000969144368 613145983 /nfs/dbraw/zinc/14/59/83/613145983.db2.gz KMVXCOIAJLTIQW-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144368 613145984 /nfs/dbraw/zinc/14/59/84/613145984.db2.gz KMVXCOIAJLTIQW-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144368 613145985 /nfs/dbraw/zinc/14/59/85/613145985.db2.gz KMVXCOIAJLTIQW-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000884283169 613168306 /nfs/dbraw/zinc/16/83/06/613168306.db2.gz AKTXMYYMEOWRNL-CQSZACIVSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000884283169 613168307 /nfs/dbraw/zinc/16/83/07/613168307.db2.gz AKTXMYYMEOWRNL-CQSZACIVSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884202512 613171225 /nfs/dbraw/zinc/17/12/25/613171225.db2.gz AAWJZLQWJLHEGE-KGLIPLIRSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884202512 613171227 /nfs/dbraw/zinc/17/12/27/613171227.db2.gz AAWJZLQWJLHEGE-KGLIPLIRSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000884202512 613171229 /nfs/dbraw/zinc/17/12/29/613171229.db2.gz AAWJZLQWJLHEGE-KGLIPLIRSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000884202512 613171230 /nfs/dbraw/zinc/17/12/30/613171230.db2.gz AAWJZLQWJLHEGE-KGLIPLIRSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC000923554847 613181636 /nfs/dbraw/zinc/18/16/36/613181636.db2.gz LTPMGQTVLWCXQW-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC000923554847 613181638 /nfs/dbraw/zinc/18/16/38/613181638.db2.gz LTPMGQTVLWCXQW-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC000923554847 613181640 /nfs/dbraw/zinc/18/16/40/613181640.db2.gz LTPMGQTVLWCXQW-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC000923554847 613181643 /nfs/dbraw/zinc/18/16/43/613181643.db2.gz LTPMGQTVLWCXQW-ZDUSSCGKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000884206297 613187003 /nfs/dbraw/zinc/18/70/03/613187003.db2.gz REILTLFUMHOIDC-KFWWJZLASA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000884206297 613187005 /nfs/dbraw/zinc/18/70/05/613187005.db2.gz REILTLFUMHOIDC-KFWWJZLASA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000884206297 613187006 /nfs/dbraw/zinc/18/70/06/613187006.db2.gz REILTLFUMHOIDC-KFWWJZLASA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000884206297 613187008 /nfs/dbraw/zinc/18/70/08/613187008.db2.gz REILTLFUMHOIDC-KFWWJZLASA-N 2 1 292.427 0.866 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000818621435 613197405 /nfs/dbraw/zinc/19/74/05/613197405.db2.gz VAXDXPLHWYLERG-MJBXVCDLSA-N 2 1 263.385 0.635 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000818621435 613197407 /nfs/dbraw/zinc/19/74/07/613197407.db2.gz VAXDXPLHWYLERG-MJBXVCDLSA-N 2 1 263.385 0.635 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905098376 613304658 /nfs/dbraw/zinc/30/46/58/613304658.db2.gz RZNGUILRAUERHQ-OAHLLOKOSA-N 2 1 298.427 0.519 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978434306 613308034 /nfs/dbraw/zinc/30/80/34/613308034.db2.gz YAUOCIICRMRLDM-QKDCVEJESA-N 2 1 287.407 0.542 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000961561884 613316889 /nfs/dbraw/zinc/31/68/89/613316889.db2.gz XQNPVTJOENBWMQ-CAOSSQGBSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000961561884 613316891 /nfs/dbraw/zinc/31/68/91/613316891.db2.gz XQNPVTJOENBWMQ-CAOSSQGBSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000961561884 613316893 /nfs/dbraw/zinc/31/68/93/613316893.db2.gz XQNPVTJOENBWMQ-CAOSSQGBSA-N 2 1 289.423 0.788 20 30 CCEDMP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000957650491 613318097 /nfs/dbraw/zinc/31/80/97/613318097.db2.gz ZWRSZXXGSDSYMF-CYBMUJFWSA-N 2 1 251.374 0.658 20 30 CCEDMP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000957650491 613318099 /nfs/dbraw/zinc/31/80/99/613318099.db2.gz ZWRSZXXGSDSYMF-CYBMUJFWSA-N 2 1 251.374 0.658 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977950531 613343801 /nfs/dbraw/zinc/34/38/01/613343801.db2.gz FHDMERMPFUPEQL-APIJFGDWSA-N 2 1 293.411 0.187 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977950531 613343802 /nfs/dbraw/zinc/34/38/02/613343802.db2.gz FHDMERMPFUPEQL-APIJFGDWSA-N 2 1 293.411 0.187 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977950531 613343803 /nfs/dbraw/zinc/34/38/03/613343803.db2.gz FHDMERMPFUPEQL-APIJFGDWSA-N 2 1 293.411 0.187 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977950531 613343804 /nfs/dbraw/zinc/34/38/04/613343804.db2.gz FHDMERMPFUPEQL-APIJFGDWSA-N 2 1 293.411 0.187 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962580169 613344781 /nfs/dbraw/zinc/34/47/81/613344781.db2.gz SOWUTSAGTCUXAL-NHAGDIPZSA-N 2 1 274.368 0.814 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962580169 613344782 /nfs/dbraw/zinc/34/47/82/613344782.db2.gz SOWUTSAGTCUXAL-NHAGDIPZSA-N 2 1 274.368 0.814 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000900629852 613364861 /nfs/dbraw/zinc/36/48/61/613364861.db2.gz CITZHJRYNWFFSA-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000901141430 613365602 /nfs/dbraw/zinc/36/56/02/613365602.db2.gz RHPAXGSWDKZLGB-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000901141430 613365603 /nfs/dbraw/zinc/36/56/03/613365603.db2.gz RHPAXGSWDKZLGB-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CCCF)CC1 ZINC000862113448 613366002 /nfs/dbraw/zinc/36/60/02/613366002.db2.gz NXKBPLXEGGSNTQ-UHFFFAOYSA-N 2 1 257.353 0.608 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000854641855 613366049 /nfs/dbraw/zinc/36/60/49/613366049.db2.gz GBTLXCMFPZSRMW-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCC[N@H+](C)CCCOC ZINC000764578681 613366410 /nfs/dbraw/zinc/36/64/10/613366410.db2.gz WYRBWDXNWQGKLX-UHFFFAOYSA-N 2 1 257.378 0.189 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978982306 613628311 /nfs/dbraw/zinc/62/83/11/613628311.db2.gz HEFZFOMMEPCUSV-QKDCVEJESA-N 2 1 287.407 0.400 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521386 613647201 /nfs/dbraw/zinc/64/72/01/613647201.db2.gz PSPWQXRYGAFKGK-UONOGXRCSA-N 2 1 263.385 0.728 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521386 613647204 /nfs/dbraw/zinc/64/72/04/613647204.db2.gz PSPWQXRYGAFKGK-UONOGXRCSA-N 2 1 263.385 0.728 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958215894 613824310 /nfs/dbraw/zinc/82/43/10/613824310.db2.gz YIGNOUXVPAPSGZ-KBPBESRZSA-N 2 1 293.411 0.210 20 30 CCEDMP C=CCNC(=O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925978095 613846894 /nfs/dbraw/zinc/84/68/94/613846894.db2.gz AEVVZMGTAHUANE-AGUYFDCRSA-N 2 1 281.400 0.520 20 30 CCEDMP C=CCNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925978095 613846895 /nfs/dbraw/zinc/84/68/95/613846895.db2.gz AEVVZMGTAHUANE-AGUYFDCRSA-N 2 1 281.400 0.520 20 30 CCEDMP C=CCNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925978095 613846896 /nfs/dbraw/zinc/84/68/96/613846896.db2.gz AEVVZMGTAHUANE-AGUYFDCRSA-N 2 1 281.400 0.520 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496715 613851108 /nfs/dbraw/zinc/85/11/08/613851108.db2.gz ZSMWAPODNLPZKL-IJLUTSLNSA-N 2 1 282.388 0.303 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969099039 613864671 /nfs/dbraw/zinc/86/46/71/613864671.db2.gz KIMXLVPXZNJAHB-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC000939316291 613868566 /nfs/dbraw/zinc/86/85/66/613868566.db2.gz QWGWRIDEWHCLES-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000827972091 614342013 /nfs/dbraw/zinc/34/20/13/614342013.db2.gz QUGNHWDCOIXPIM-CYBMUJFWSA-N 2 1 251.374 0.540 20 30 CCEDMP CC[N@@H+](CCNC(=O)C#CC1CC[NH2+]CC1)C1CC1 ZINC000852864836 615047770 /nfs/dbraw/zinc/04/77/70/615047770.db2.gz JIZKKQWHDDYSDP-UHFFFAOYSA-N 2 1 263.385 0.590 20 30 CCEDMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834504435 616181062 /nfs/dbraw/zinc/18/10/62/616181062.db2.gz BBHQWGNCGHWGCK-JHJVBQTASA-N 2 1 264.373 0.479 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026139699 625341253 /nfs/dbraw/zinc/34/12/53/625341253.db2.gz LBBQZUOJOVUTGP-RFBLXINOSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001023272804 622973110 /nfs/dbraw/zinc/97/31/10/622973110.db2.gz DUGNVTUCIBCVRE-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001023272804 622973113 /nfs/dbraw/zinc/97/31/13/622973113.db2.gz DUGNVTUCIBCVRE-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001023272804 622973120 /nfs/dbraw/zinc/97/31/20/622973120.db2.gz DUGNVTUCIBCVRE-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023451012 623033901 /nfs/dbraw/zinc/03/39/01/623033901.db2.gz LSXPSJGQEYZPAX-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023451012 623033908 /nfs/dbraw/zinc/03/39/08/623033908.db2.gz LSXPSJGQEYZPAX-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451012 623033912 /nfs/dbraw/zinc/03/39/12/623033912.db2.gz LSXPSJGQEYZPAX-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451012 623033920 /nfs/dbraw/zinc/03/39/20/623033920.db2.gz LSXPSJGQEYZPAX-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023744879 623125899 /nfs/dbraw/zinc/12/58/99/623125899.db2.gz WICKPWHFMHJIQI-ZIAGYGMSSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023744879 623125918 /nfs/dbraw/zinc/12/59/18/623125918.db2.gz WICKPWHFMHJIQI-ZIAGYGMSSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023744879 623125924 /nfs/dbraw/zinc/12/59/24/623125924.db2.gz WICKPWHFMHJIQI-ZIAGYGMSSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C(C)C)C1 ZINC001026893621 625653505 /nfs/dbraw/zinc/65/35/05/625653505.db2.gz LXTQTBDRWBIQFQ-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C(C)C)C1 ZINC001026893621 625653509 /nfs/dbraw/zinc/65/35/09/625653509.db2.gz LXTQTBDRWBIQFQ-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC)C1 ZINC001026894265 625654429 /nfs/dbraw/zinc/65/44/29/625654429.db2.gz YYFILDMYAWYEAU-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC)C1 ZINC001026894265 625654432 /nfs/dbraw/zinc/65/44/32/625654432.db2.gz YYFILDMYAWYEAU-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001006920357 623493516 /nfs/dbraw/zinc/49/35/16/623493516.db2.gz YCLYJOLLZGHXIY-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006920357 623493521 /nfs/dbraw/zinc/49/35/21/623493521.db2.gz YCLYJOLLZGHXIY-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006920357 623493523 /nfs/dbraw/zinc/49/35/23/623493523.db2.gz YCLYJOLLZGHXIY-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001021094093 624657928 /nfs/dbraw/zinc/65/79/28/624657928.db2.gz LFICWKXVMRFFEH-IHRRRGAJSA-N 2 1 263.385 0.731 20 30 CCEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001027805711 630935138 /nfs/dbraw/zinc/93/51/38/630935138.db2.gz AVZYPRGAALNTBJ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027805711 630935142 /nfs/dbraw/zinc/93/51/42/630935142.db2.gz AVZYPRGAALNTBJ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027805711 630935145 /nfs/dbraw/zinc/93/51/45/630935145.db2.gz AVZYPRGAALNTBJ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027805711 630935147 /nfs/dbraw/zinc/93/51/47/630935147.db2.gz AVZYPRGAALNTBJ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027805711 630935150 /nfs/dbraw/zinc/93/51/50/630935150.db2.gz AVZYPRGAALNTBJ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C[NH+]=C(NCc1noc(C)n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261976671 631740581 /nfs/dbraw/zinc/74/05/81/631740581.db2.gz NVNRPOJNKYTSKK-BXKDBHETSA-N 2 1 292.387 0.526 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989557047 633327693 /nfs/dbraw/zinc/32/76/93/633327693.db2.gz DXOWTJKBVMVEHY-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC000989803510 633355385 /nfs/dbraw/zinc/35/53/85/633355385.db2.gz UKGSALNMBFAIPV-WCQYABFASA-N 2 1 262.357 0.957 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993759468 637842694 /nfs/dbraw/zinc/84/26/94/637842694.db2.gz LDIVKNWHMJCRSL-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014416316 650450154 /nfs/dbraw/zinc/45/01/54/650450154.db2.gz ZVHXQXNYDWVEML-UONOGXRCSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014416316 650450156 /nfs/dbraw/zinc/45/01/56/650450156.db2.gz ZVHXQXNYDWVEML-UONOGXRCSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014416316 650450157 /nfs/dbraw/zinc/45/01/57/650450157.db2.gz ZVHXQXNYDWVEML-UONOGXRCSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014416316 650450158 /nfs/dbraw/zinc/45/01/58/650450158.db2.gz ZVHXQXNYDWVEML-UONOGXRCSA-N 2 1 263.385 0.683 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616478 638824419 /nfs/dbraw/zinc/82/44/19/638824419.db2.gz SGVDCRZCJASGRC-STQMWFEESA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC000996653042 638825966 /nfs/dbraw/zinc/82/59/66/638825966.db2.gz XSQSCSLCZBPERO-UHFFFAOYSA-N 2 1 260.341 0.556 20 30 CCEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997337440 638863053 /nfs/dbraw/zinc/86/30/53/638863053.db2.gz TXDSQHKCROHXNE-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997337440 638863055 /nfs/dbraw/zinc/86/30/55/638863055.db2.gz TXDSQHKCROHXNE-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998557158 638927410 /nfs/dbraw/zinc/92/74/10/638927410.db2.gz QLJKXDWDONIIFS-WXRRBKDZSA-N 2 1 251.374 0.846 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000999207181 638967680 /nfs/dbraw/zinc/96/76/80/638967680.db2.gz KCSHYYIHAIHZAP-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001001537679 639314500 /nfs/dbraw/zinc/31/45/00/639314500.db2.gz AQQXDFGTXZVCCD-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015091757 650527407 /nfs/dbraw/zinc/52/74/07/650527407.db2.gz YGFVDBBWOXIGKD-CQSZACIVSA-N 2 1 275.396 0.829 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001015610976 650591404 /nfs/dbraw/zinc/59/14/04/650591404.db2.gz CBEIXSWMFMKJRY-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015610976 650591405 /nfs/dbraw/zinc/59/14/05/650591405.db2.gz CBEIXSWMFMKJRY-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015610976 650591407 /nfs/dbraw/zinc/59/14/07/650591407.db2.gz CBEIXSWMFMKJRY-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C[C@@H](C#N)OCCN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852707792 643989399 /nfs/dbraw/zinc/98/93/99/643989399.db2.gz KXZQRTJXBBQUSA-JSGCOSHPSA-N 2 1 267.373 0.446 20 30 CCEDMP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000852864705 644030675 /nfs/dbraw/zinc/03/06/75/644030675.db2.gz FJLFGRHWCGIPLF-GFCCVEGCSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001020301141 651057623 /nfs/dbraw/zinc/05/76/23/651057623.db2.gz QDAPKHDJSLBZSG-AVGNSLFASA-N 2 1 251.374 0.894 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001020340325 651060369 /nfs/dbraw/zinc/06/03/69/651060369.db2.gz NTHDQBDTUCKSGI-KKUMJFAQSA-N 2 1 277.412 0.977 20 30 CCEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@@H]1C(F)F)C2 ZINC000884290147 647697881 /nfs/dbraw/zinc/69/78/81/647697881.db2.gz SWJGIXMMJWLHFS-DUEVMTECSA-N 2 1 298.337 0.191 20 30 CCEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006402460 647925780 /nfs/dbraw/zinc/92/57/80/647925780.db2.gz XFFBFRHSGNUABV-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N1CCSCC1 ZINC000104152647 648202704 /nfs/dbraw/zinc/20/27/04/648202704.db2.gz FMHKQMNGQBCMAC-UHFFFAOYSA-N 2 1 272.418 0.072 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000104172552 648204350 /nfs/dbraw/zinc/20/43/50/648204350.db2.gz CQEMSSBZEZGGJA-MNOVXSKESA-N 2 1 254.378 0.410 20 30 CCEDMP C=CCNC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303376403 649817421 /nfs/dbraw/zinc/81/74/21/649817421.db2.gz OHIDXVHEPDGWTP-UHFFFAOYSA-N 2 1 253.394 0.104 20 30 CCEDMP C=CCNC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000303376403 649817423 /nfs/dbraw/zinc/81/74/23/649817423.db2.gz OHIDXVHEPDGWTP-UHFFFAOYSA-N 2 1 253.394 0.104 20 30 CCEDMP C=CCNC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000303376403 649817426 /nfs/dbraw/zinc/81/74/26/649817426.db2.gz OHIDXVHEPDGWTP-UHFFFAOYSA-N 2 1 253.394 0.104 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303722461 649824521 /nfs/dbraw/zinc/82/45/21/649824521.db2.gz YFGRALZJRVJNPZ-LBPRGKRZSA-N 2 1 256.394 0.802 20 30 CCEDMP CCN(CC)C(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303896437 649826643 /nfs/dbraw/zinc/82/66/43/649826643.db2.gz ULTNKXCAYMLHLE-CYBMUJFWSA-N 2 1 269.437 0.526 20 30 CCEDMP C=CC[NH+]1CCN(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC001165033251 721864965 /nfs/dbraw/zinc/86/49/65/721864965.db2.gz IEXLECIAOAICEI-UHFFFAOYSA-N 2 1 259.357 0.430 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001266248088 790325923 /nfs/dbraw/zinc/32/59/23/790325923.db2.gz DKZXDSNZPVBTIN-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266248088 790325935 /nfs/dbraw/zinc/32/59/35/790325935.db2.gz DKZXDSNZPVBTIN-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266248088 790325951 /nfs/dbraw/zinc/32/59/51/790325951.db2.gz DKZXDSNZPVBTIN-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001266411974 790656240 /nfs/dbraw/zinc/65/62/40/790656240.db2.gz JHTGWTDRNRZEGW-KGLIPLIRSA-N 2 1 281.375 0.538 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001266411974 790656249 /nfs/dbraw/zinc/65/62/49/790656249.db2.gz JHTGWTDRNRZEGW-KGLIPLIRSA-N 2 1 281.375 0.538 20 30 CCEDMP C=CC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001098540555 790919183 /nfs/dbraw/zinc/91/91/83/790919183.db2.gz SPOOLLMPXMRZFY-UHFFFAOYSA-N 2 1 297.443 0.800 20 30 CCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001098540555 790919190 /nfs/dbraw/zinc/91/91/90/790919190.db2.gz SPOOLLMPXMRZFY-UHFFFAOYSA-N 2 1 297.443 0.800 20 30 CCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001098540555 790919199 /nfs/dbraw/zinc/91/91/99/790919199.db2.gz SPOOLLMPXMRZFY-UHFFFAOYSA-N 2 1 297.443 0.800 20 30 CCEDMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001266659250 791091941 /nfs/dbraw/zinc/09/19/41/791091941.db2.gz BQWNIIDTEJPUBA-NSHDSACASA-N 2 1 259.781 0.881 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231367741 805785676 /nfs/dbraw/zinc/78/56/76/805785676.db2.gz DMFXUJAITWUFLN-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231367741 805785682 /nfs/dbraw/zinc/78/56/82/805785682.db2.gz DMFXUJAITWUFLN-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001231367741 805785687 /nfs/dbraw/zinc/78/56/87/805785687.db2.gz DMFXUJAITWUFLN-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001231367741 805785693 /nfs/dbraw/zinc/78/56/93/805785693.db2.gz DMFXUJAITWUFLN-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOC[C@@H](O)CNC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245985115 807106679 /nfs/dbraw/zinc/10/66/79/807106679.db2.gz KWIHUIGRUJXIOL-KGLIPLIRSA-N 2 1 283.416 0.014 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104421514 791599610 /nfs/dbraw/zinc/59/96/10/791599610.db2.gz YCFJCJCSRLDKDD-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP CC[NH+](CC#CCOC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267256161 793254942 /nfs/dbraw/zinc/25/49/42/793254942.db2.gz LLOFYNWUPHKHBJ-CQSZACIVSA-N 2 1 281.400 0.026 20 30 CCEDMP CC[NH+](CC#CCOC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267256161 793254950 /nfs/dbraw/zinc/25/49/50/793254950.db2.gz LLOFYNWUPHKHBJ-CQSZACIVSA-N 2 1 281.400 0.026 20 30 CCEDMP C#Cc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1 ZINC001234990947 806338997 /nfs/dbraw/zinc/33/89/97/806338997.db2.gz VFFLPIFAGMXLCK-INIZCTEOSA-N 2 1 255.365 0.805 20 30 CCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001278078568 806653925 /nfs/dbraw/zinc/65/39/25/806653925.db2.gz XLKRTILQRXZYOA-KGLIPLIRSA-N 2 1 283.416 0.502 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)CC1 ZINC001121293301 799027799 /nfs/dbraw/zinc/02/77/99/799027799.db2.gz ZFNTXTSOKZEKJW-OWCLPIDISA-N 2 1 289.423 0.788 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001121952576 799106491 /nfs/dbraw/zinc/10/64/91/799106491.db2.gz JYKPCZKPCNCMNP-HNNXBMFYSA-N 2 1 296.459 0.766 20 30 CCEDMP C=CCN1CCCO[C@H](CNC(=O)CCc2ncc[nH]2)C1 ZINC001149652377 800288786 /nfs/dbraw/zinc/28/87/86/800288786.db2.gz AHESTMVWLUQNDT-CYBMUJFWSA-N 2 1 292.383 0.735 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149847689 800303135 /nfs/dbraw/zinc/30/31/35/800303135.db2.gz HMHKFPGAAQXANP-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149847689 800303137 /nfs/dbraw/zinc/30/31/37/800303137.db2.gz HMHKFPGAAQXANP-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150547455 800346151 /nfs/dbraw/zinc/34/61/51/800346151.db2.gz SWSXPWSIWJJKLU-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150547455 800346152 /nfs/dbraw/zinc/34/61/52/800346152.db2.gz SWSXPWSIWJJKLU-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150547455 800346154 /nfs/dbraw/zinc/34/61/54/800346154.db2.gz SWSXPWSIWJJKLU-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150716230 800363267 /nfs/dbraw/zinc/36/32/67/800363267.db2.gz PKSNWQVDVISCKW-OAHLLOKOSA-N 2 1 293.411 0.313 20 30 CCEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccccc2C#N)C1 ZINC001151049578 800389845 /nfs/dbraw/zinc/38/98/45/800389845.db2.gz SLCGCYJPGSBOPW-OAHLLOKOSA-N 2 1 286.379 0.716 20 30 CCEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001151044329 800389939 /nfs/dbraw/zinc/38/99/39/800389939.db2.gz QMMRMTITNUUVGO-OAHLLOKOSA-N 2 1 286.379 0.716 20 30 CCEDMP C=C[C@@H](CO)Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001158814592 801709601 /nfs/dbraw/zinc/70/96/01/801709601.db2.gz KSYQUPWKJHNIRG-NSHDSACASA-N 2 1 263.345 0.363 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160851244 802032221 /nfs/dbraw/zinc/03/22/21/802032221.db2.gz UALJEYWUHYRJCP-ZIAGYGMSSA-N 2 1 299.415 0.004 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160851244 802032228 /nfs/dbraw/zinc/03/22/28/802032228.db2.gz UALJEYWUHYRJCP-ZIAGYGMSSA-N 2 1 299.415 0.004 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857715 802033040 /nfs/dbraw/zinc/03/30/40/802033040.db2.gz MYMJLUFHKHXPSV-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857715 802033049 /nfs/dbraw/zinc/03/30/49/802033049.db2.gz MYMJLUFHKHXPSV-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001280485929 810025440 /nfs/dbraw/zinc/02/54/40/810025440.db2.gz YLLHURYAHLLYIT-UHFFFAOYSA-N 2 1 263.385 0.732 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164536304 802758201 /nfs/dbraw/zinc/75/82/01/802758201.db2.gz PWZODHMLWALHRQ-AWEZNQCLSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001206927686 803311373 /nfs/dbraw/zinc/31/13/73/803311373.db2.gz KTMDOWDBHURVSS-AWEZNQCLSA-N 2 1 263.385 0.400 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207683773 803437471 /nfs/dbraw/zinc/43/74/71/803437471.db2.gz HMVNIZFYCYMJDZ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001209640876 803619407 /nfs/dbraw/zinc/61/94/07/803619407.db2.gz DTPKZCGFZRFMCC-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210145154 803639660 /nfs/dbraw/zinc/63/96/60/803639660.db2.gz FTUWEDYLQOFDDS-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP N#Cc1cncc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)n1 ZINC001210262493 803644193 /nfs/dbraw/zinc/64/41/93/803644193.db2.gz HZVCWXBHAXLGOS-UHFFFAOYSA-N 2 1 281.323 0.896 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001276717734 803774877 /nfs/dbraw/zinc/77/48/77/803774877.db2.gz RCTXAESVDFDSHO-FQUUOJAGSA-N 2 1 265.401 0.807 20 30 CCEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220688918 804650057 /nfs/dbraw/zinc/65/00/57/804650057.db2.gz WACVVEVJGBMHPJ-KFWWJZLASA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688918 804650062 /nfs/dbraw/zinc/65/00/62/804650062.db2.gz WACVVEVJGBMHPJ-KFWWJZLASA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688918 804650068 /nfs/dbraw/zinc/65/00/68/804650068.db2.gz WACVVEVJGBMHPJ-KFWWJZLASA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806391 804670870 /nfs/dbraw/zinc/67/08/70/804670870.db2.gz ASAVLCHJPIKIOQ-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP N#Cc1ccnc(CN2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222099791 804867520 /nfs/dbraw/zinc/86/75/20/804867520.db2.gz KWJONSHVOYAQIQ-UHFFFAOYSA-N 2 1 271.368 0.481 20 30 CCEDMP C=CCn1cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cn1 ZINC001222502191 804908177 /nfs/dbraw/zinc/90/81/77/804908177.db2.gz FZTVZIFHGDWMJD-GJZGRUSLSA-N 2 1 275.400 0.595 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223379142 804968379 /nfs/dbraw/zinc/96/83/79/804968379.db2.gz RELGNGPFKXBQIR-CABCVRRESA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001276908223 804983227 /nfs/dbraw/zinc/98/32/27/804983227.db2.gz DSRBWOIMSIMGQH-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001226554359 805246330 /nfs/dbraw/zinc/24/63/30/805246330.db2.gz KRQSJVYVIAOKJC-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001229633318 805545649 /nfs/dbraw/zinc/54/56/49/805545649.db2.gz BSNHKXXQKUUMPX-UHFFFAOYSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCC[C@@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246026322 807123893 /nfs/dbraw/zinc/12/38/93/807123893.db2.gz FBUHNSXQCJXMKD-CYBMUJFWSA-N 2 1 253.390 0.341 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052853 807134422 /nfs/dbraw/zinc/13/44/22/807134422.db2.gz PGBSXRNTHOJLGH-HZSPNIEDSA-N 2 1 254.374 0.481 20 30 CCEDMP C[C@@H](CCCC#N)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246818666 807393939 /nfs/dbraw/zinc/39/39/39/807393939.db2.gz DAAMFZQQOMMIOE-AWEZNQCLSA-N 2 1 267.421 0.153 20 30 CCEDMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NCC#CC[NH+](C)C ZINC001251708618 807696916 /nfs/dbraw/zinc/69/69/16/807696916.db2.gz URZNOFYRYXRGHI-OAHLLOKOSA-N 2 1 294.443 0.923 20 30 CCEDMP C=C[C@](C)(O)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001252549622 807906347 /nfs/dbraw/zinc/90/63/47/807906347.db2.gz GLACVFCGIXWMSY-MJBXVCDLSA-N 2 1 254.374 0.576 20 30 CCEDMP C=C[C@](C)(O)C[N@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001252549622 807906334 /nfs/dbraw/zinc/90/63/34/807906334.db2.gz GLACVFCGIXWMSY-MJBXVCDLSA-N 2 1 254.374 0.576 20 30 CCEDMP C=C[C@](C)(O)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001252549622 807906350 /nfs/dbraw/zinc/90/63/50/807906350.db2.gz GLACVFCGIXWMSY-MJBXVCDLSA-N 2 1 254.374 0.576 20 30 CCEDMP C=C[C@](C)(O)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252549622 807906355 /nfs/dbraw/zinc/90/63/55/807906355.db2.gz GLACVFCGIXWMSY-MJBXVCDLSA-N 2 1 254.374 0.576 20 30 CCEDMP C=C[C@](C)(O)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252549622 807906358 /nfs/dbraw/zinc/90/63/58/807906358.db2.gz GLACVFCGIXWMSY-MJBXVCDLSA-N 2 1 254.374 0.576 20 30 CCEDMP C=C[C@@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001253577846 808086810 /nfs/dbraw/zinc/08/68/10/808086810.db2.gz QFEIDGKLFBOMGY-CYBMUJFWSA-N 2 1 292.383 0.058 20 30 CCEDMP C=C[C@@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001253577846 808086814 /nfs/dbraw/zinc/08/68/14/808086814.db2.gz QFEIDGKLFBOMGY-CYBMUJFWSA-N 2 1 292.383 0.058 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@@H](O)C1 ZINC001083506045 815177832 /nfs/dbraw/zinc/17/78/32/815177832.db2.gz NRVSDOIEUVWSME-ILXRZTDVSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@@H](O)C1 ZINC001083506045 815177836 /nfs/dbraw/zinc/17/78/36/815177836.db2.gz NRVSDOIEUVWSME-ILXRZTDVSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083506045 815177837 /nfs/dbraw/zinc/17/78/37/815177837.db2.gz NRVSDOIEUVWSME-ILXRZTDVSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083506045 815177841 /nfs/dbraw/zinc/17/78/41/815177841.db2.gz NRVSDOIEUVWSME-ILXRZTDVSA-N 2 1 293.411 0.045 20 30 CCEDMP CC[C@H](C)[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)C(=O)NO ZINC001254515315 808251083 /nfs/dbraw/zinc/25/10/83/808251083.db2.gz VSARBMOTYKVIME-TUAOUCFPSA-N 2 1 257.378 0.980 20 30 CCEDMP CC[C@H](C)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)C(=O)NO ZINC001254515315 808251090 /nfs/dbraw/zinc/25/10/90/808251090.db2.gz VSARBMOTYKVIME-TUAOUCFPSA-N 2 1 257.378 0.980 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)CC[NH+]1CCOCC1)C(C)(C)C ZINC001279015807 808617343 /nfs/dbraw/zinc/61/73/43/808617343.db2.gz YDIODJZPKMZGEB-AWEZNQCLSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076205211 815259224 /nfs/dbraw/zinc/25/92/24/815259224.db2.gz URLYZQQGWTWIRL-LSDHHAIUSA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001263801457 809572169 /nfs/dbraw/zinc/57/21/69/809572169.db2.gz HQFHTMWGZDWJCJ-UONOGXRCSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001263801457 809572175 /nfs/dbraw/zinc/57/21/75/809572175.db2.gz HQFHTMWGZDWJCJ-UONOGXRCSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001263847058 809586571 /nfs/dbraw/zinc/58/65/71/809586571.db2.gz PHKIPDDIEZKDHT-GASCZTMLSA-N 2 1 293.411 0.216 20 30 CCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001264441153 809658288 /nfs/dbraw/zinc/65/82/88/809658288.db2.gz ZUILCUURTJUBBF-SHTZXODSSA-N 2 1 295.427 0.461 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076569118 815312146 /nfs/dbraw/zinc/31/21/46/815312146.db2.gz KDSZDEPPNVQFTD-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076569118 815312153 /nfs/dbraw/zinc/31/21/53/815312153.db2.gz KDSZDEPPNVQFTD-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076569118 815312160 /nfs/dbraw/zinc/31/21/60/815312160.db2.gz KDSZDEPPNVQFTD-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265897618 809887764 /nfs/dbraw/zinc/88/77/64/809887764.db2.gz SIGMWSYHBJWLGW-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265897618 809887769 /nfs/dbraw/zinc/88/77/69/809887769.db2.gz SIGMWSYHBJWLGW-QWHCGFSZSA-N 2 1 267.373 0.084 20 30 CCEDMP C#CC[N@@H+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267314605 811141254 /nfs/dbraw/zinc/14/12/54/811141254.db2.gz RRTUDHMNMNDDOD-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267513935 811390650 /nfs/dbraw/zinc/39/06/50/811390650.db2.gz QOXZVCMPWUFZRG-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267513935 811390658 /nfs/dbraw/zinc/39/06/58/811390658.db2.gz QOXZVCMPWUFZRG-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001279725403 811569614 /nfs/dbraw/zinc/56/96/14/811569614.db2.gz XOXVELBEXHDPQI-OAHLLOKOSA-N 2 1 295.427 0.295 20 30 CCEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267618139 811576021 /nfs/dbraw/zinc/57/60/21/811576021.db2.gz MDNNLAQRLZOUTO-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267618139 811576026 /nfs/dbraw/zinc/57/60/26/811576026.db2.gz MDNNLAQRLZOUTO-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001267731426 811699465 /nfs/dbraw/zinc/69/94/65/811699465.db2.gz CETMWLXFAPFAGE-AWEZNQCLSA-N 2 1 281.400 0.475 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001267731426 811699470 /nfs/dbraw/zinc/69/94/70/811699470.db2.gz CETMWLXFAPFAGE-AWEZNQCLSA-N 2 1 281.400 0.475 20 30 CCEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001268026136 811998139 /nfs/dbraw/zinc/99/81/39/811998139.db2.gz HOUOJCBBWPFLMQ-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027884022 812116153 /nfs/dbraw/zinc/11/61/53/812116153.db2.gz FQRVCZCFFGTTLE-LSDHHAIUSA-N 2 1 275.396 0.542 20 30 CCEDMP C=CC[N@@H+](C)CCN(C)C(=O)CCc1cnc[nH]1 ZINC001268238769 812405122 /nfs/dbraw/zinc/40/51/22/812405122.db2.gz KXZLBZYFYCRKPT-UHFFFAOYSA-N 2 1 250.346 0.919 20 30 CCEDMP C=CC[N@H+](C)CCN(C)C(=O)CCc1cnc[nH]1 ZINC001268238769 812405126 /nfs/dbraw/zinc/40/51/26/812405126.db2.gz KXZLBZYFYCRKPT-UHFFFAOYSA-N 2 1 250.346 0.919 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268305680 812470263 /nfs/dbraw/zinc/47/02/63/812470263.db2.gz SQDWKFMAZGIPJA-LSDHHAIUSA-N 2 1 297.443 0.892 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001268334562 812495888 /nfs/dbraw/zinc/49/58/88/812495888.db2.gz FFIAWVFHTZISIL-ZDUSSCGKSA-N 2 1 280.372 0.224 20 30 CCEDMP C=CC[NH2+]CC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001268381993 812533086 /nfs/dbraw/zinc/53/30/86/812533086.db2.gz CKEXGBPHCFKIGY-LLVKDONJSA-N 2 1 250.346 0.862 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001028329474 812623577 /nfs/dbraw/zinc/62/35/77/812623577.db2.gz MCZSQEORJMAESQ-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001028329474 812623578 /nfs/dbraw/zinc/62/35/78/812623578.db2.gz MCZSQEORJMAESQ-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329474 812623581 /nfs/dbraw/zinc/62/35/81/812623581.db2.gz MCZSQEORJMAESQ-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329474 812623585 /nfs/dbraw/zinc/62/35/85/812623585.db2.gz MCZSQEORJMAESQ-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268614778 812949096 /nfs/dbraw/zinc/94/90/96/812949096.db2.gz YHVJIPNQFGRMTD-GEXIGZQTSA-N 2 1 263.385 0.614 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCF)C1 ZINC001028601042 812955510 /nfs/dbraw/zinc/95/55/10/812955510.db2.gz HRWUAQWNVWXPSJ-KGLIPLIRSA-N 2 1 281.375 0.492 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCF)C1 ZINC001028601042 812955514 /nfs/dbraw/zinc/95/55/14/812955514.db2.gz HRWUAQWNVWXPSJ-KGLIPLIRSA-N 2 1 281.375 0.492 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCF)C1 ZINC001028601042 812955519 /nfs/dbraw/zinc/95/55/19/812955519.db2.gz HRWUAQWNVWXPSJ-KGLIPLIRSA-N 2 1 281.375 0.492 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCF)C1 ZINC001028601042 812955522 /nfs/dbraw/zinc/95/55/22/812955522.db2.gz HRWUAQWNVWXPSJ-KGLIPLIRSA-N 2 1 281.375 0.492 20 30 CCEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001268742902 813056426 /nfs/dbraw/zinc/05/64/26/813056426.db2.gz MKHXPSJHBWZDFN-ZDUSSCGKSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268755992 813067370 /nfs/dbraw/zinc/06/73/70/813067370.db2.gz GQLJNFIQFNMDMY-KBPBESRZSA-N 2 1 283.416 0.577 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001028638267 813087613 /nfs/dbraw/zinc/08/76/13/813087613.db2.gz FEZINKALTUJWJM-ZIAGYGMSSA-N 2 1 286.379 0.517 20 30 CCEDMP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001269619061 813449256 /nfs/dbraw/zinc/44/92/56/813449256.db2.gz JKYVVELIBXXLPW-XNRPHZJLSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001270624791 813849868 /nfs/dbraw/zinc/84/98/68/813849868.db2.gz SYCBIPSVFFZRIL-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001088013986 814311697 /nfs/dbraw/zinc/31/16/97/814311697.db2.gz CBBOQEWNWHAZQY-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088013986 814311704 /nfs/dbraw/zinc/31/17/04/814311704.db2.gz CBBOQEWNWHAZQY-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088013986 814311711 /nfs/dbraw/zinc/31/17/11/814311711.db2.gz CBBOQEWNWHAZQY-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170351 814437396 /nfs/dbraw/zinc/43/73/96/814437396.db2.gz OJKHAEAQPAEJML-XHSDSOJGSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170351 814437400 /nfs/dbraw/zinc/43/74/00/814437400.db2.gz OJKHAEAQPAEJML-XHSDSOJGSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170351 814437403 /nfs/dbraw/zinc/43/74/03/814437403.db2.gz OJKHAEAQPAEJML-XHSDSOJGSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001271538598 814472627 /nfs/dbraw/zinc/47/26/27/814472627.db2.gz ACXZKUSTMDORIK-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001088286966 814574844 /nfs/dbraw/zinc/57/48/44/814574844.db2.gz MNWNPNCLEUVDCQ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001088286966 814574848 /nfs/dbraw/zinc/57/48/48/814574848.db2.gz MNWNPNCLEUVDCQ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC2(C1)CC[N@H+](C)C2 ZINC001271953748 814648398 /nfs/dbraw/zinc/64/83/98/814648398.db2.gz LEISAWCCLVQFEB-UHFFFAOYSA-N 2 1 263.385 0.803 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001088424873 814681977 /nfs/dbraw/zinc/68/19/77/814681977.db2.gz HVGLUNHTYNIHRI-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CCN1CC[C@@](C)(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001046414191 816570796 /nfs/dbraw/zinc/57/07/96/816570796.db2.gz GPVXZQFQNRDVPH-IIAWOOMASA-N 2 1 293.411 0.309 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031689053 817245602 /nfs/dbraw/zinc/24/56/02/817245602.db2.gz QQJONMAHOOXASF-HUUCEWRRSA-N 2 1 293.411 0.474 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001077565761 817344665 /nfs/dbraw/zinc/34/46/65/817344665.db2.gz XJIJEFJOCBMILZ-IGQOVBAYSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001077565761 817344671 /nfs/dbraw/zinc/34/46/71/817344671.db2.gz XJIJEFJOCBMILZ-IGQOVBAYSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077565761 817344677 /nfs/dbraw/zinc/34/46/77/817344677.db2.gz XJIJEFJOCBMILZ-IGQOVBAYSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077565761 817344684 /nfs/dbraw/zinc/34/46/84/817344684.db2.gz XJIJEFJOCBMILZ-IGQOVBAYSA-N 2 1 281.400 0.064 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127701281 817469011 /nfs/dbraw/zinc/46/90/11/817469011.db2.gz MRJKTTODHUZNHE-QWHCGFSZSA-N 2 1 251.374 0.446 20 30 CCEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001124872909 817607846 /nfs/dbraw/zinc/60/78/46/817607846.db2.gz ORDKKNJADYEPNI-HNNXBMFYSA-N 2 1 286.379 0.858 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001032114380 817642650 /nfs/dbraw/zinc/64/26/50/817642650.db2.gz DYEZFNACQGDYEB-UHFFFAOYSA-N 2 1 289.423 0.790 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127786367 817869770 /nfs/dbraw/zinc/86/97/70/817869770.db2.gz YXCSXGMJKRWSOQ-UONOGXRCSA-N 2 1 281.400 0.522 20 30 CCEDMP C=CCN1CCO[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108074780 818548118 /nfs/dbraw/zinc/54/81/18/818548118.db2.gz PANOJFIUWAJRCS-OAHLLOKOSA-N 2 1 292.383 0.585 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391297 818758264 /nfs/dbraw/zinc/75/82/64/818758264.db2.gz QZFOIWSNHJNLGJ-AWEZNQCLSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033664316 818875125 /nfs/dbraw/zinc/87/51/25/818875125.db2.gz FWSZRDJCMABWIJ-ZDUSSCGKSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033664316 818875127 /nfs/dbraw/zinc/87/51/27/818875127.db2.gz FWSZRDJCMABWIJ-ZDUSSCGKSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034535817 819235622 /nfs/dbraw/zinc/23/56/22/819235622.db2.gz VYCAHZCTQAHYTK-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535817 819235628 /nfs/dbraw/zinc/23/56/28/819235628.db2.gz VYCAHZCTQAHYTK-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535817 819235634 /nfs/dbraw/zinc/23/56/34/819235634.db2.gz VYCAHZCTQAHYTK-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535817 819235640 /nfs/dbraw/zinc/23/56/40/819235640.db2.gz VYCAHZCTQAHYTK-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001034779393 819329052 /nfs/dbraw/zinc/32/90/52/819329052.db2.gz STXOZUCINPZXNR-RBSFLKMASA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034792997 819332008 /nfs/dbraw/zinc/33/20/08/819332008.db2.gz PYDVGMCENBZQLE-MGPQQGTHSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079709319 820455617 /nfs/dbraw/zinc/45/56/17/820455617.db2.gz YWWOODMIEVHBHH-BPLDGKMQSA-N 2 1 277.412 0.951 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079723908 820457846 /nfs/dbraw/zinc/45/78/46/820457846.db2.gz PYCYUKWFFMAXQV-KBUPBQIOSA-N 2 1 277.412 0.786 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001080979676 820663253 /nfs/dbraw/zinc/66/32/53/820663253.db2.gz XICLRIDIMWSFCX-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001080979676 820663257 /nfs/dbraw/zinc/66/32/57/820663257.db2.gz XICLRIDIMWSFCX-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001080979676 820663260 /nfs/dbraw/zinc/66/32/60/820663260.db2.gz XICLRIDIMWSFCX-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001080979676 820663262 /nfs/dbraw/zinc/66/32/62/820663262.db2.gz XICLRIDIMWSFCX-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081656797 820812647 /nfs/dbraw/zinc/81/26/47/820812647.db2.gz MCLVLDDTUAGQDA-RBSFLKMASA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081656797 820812658 /nfs/dbraw/zinc/81/26/58/820812658.db2.gz MCLVLDDTUAGQDA-RBSFLKMASA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081656797 820812666 /nfs/dbraw/zinc/81/26/66/820812666.db2.gz MCLVLDDTUAGQDA-RBSFLKMASA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081656797 820812680 /nfs/dbraw/zinc/81/26/80/820812680.db2.gz MCLVLDDTUAGQDA-RBSFLKMASA-N 2 1 295.427 0.861 20 30 CCEDMP C=C(C)CN1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082132695 820906659 /nfs/dbraw/zinc/90/66/59/820906659.db2.gz NRBCTQXSEIKUNI-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082132695 820906666 /nfs/dbraw/zinc/90/66/66/820906666.db2.gz NRBCTQXSEIKUNI-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082132695 820906672 /nfs/dbraw/zinc/90/66/72/820906672.db2.gz NRBCTQXSEIKUNI-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082132695 820906682 /nfs/dbraw/zinc/90/66/82/820906682.db2.gz NRBCTQXSEIKUNI-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001082447730 820977969 /nfs/dbraw/zinc/97/79/69/820977969.db2.gz MRUWFFWBJPRRHW-UPJWGTAASA-N 2 1 251.374 0.703 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082507085 820992368 /nfs/dbraw/zinc/99/23/68/820992368.db2.gz BEEVSUJVKBJADN-RBSFLKMASA-N 2 1 277.412 0.929 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082935189 821066570 /nfs/dbraw/zinc/06/65/70/821066570.db2.gz OKQZKYAMHYHUOR-MCIONIFRSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082935189 821066577 /nfs/dbraw/zinc/06/65/77/821066577.db2.gz OKQZKYAMHYHUOR-MCIONIFRSA-N 2 1 281.400 0.330 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355845 821277874 /nfs/dbraw/zinc/27/78/74/821277874.db2.gz LCPWHNCBZJXWFF-KBUPBQIOSA-N 2 1 275.396 0.493 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355845 821277879 /nfs/dbraw/zinc/27/78/79/821277879.db2.gz LCPWHNCBZJXWFF-KBUPBQIOSA-N 2 1 275.396 0.493 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355845 821277886 /nfs/dbraw/zinc/27/78/86/821277886.db2.gz LCPWHNCBZJXWFF-KBUPBQIOSA-N 2 1 275.396 0.493 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355845 821277889 /nfs/dbraw/zinc/27/78/89/821277889.db2.gz LCPWHNCBZJXWFF-KBUPBQIOSA-N 2 1 275.396 0.493 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001084866296 821414376 /nfs/dbraw/zinc/41/43/76/821414376.db2.gz KOOYPHABCDYFMX-ZIAGYGMSSA-N 2 1 272.352 0.439 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871865 821465970 /nfs/dbraw/zinc/46/59/70/821465970.db2.gz LEVSVDVMICWFKH-KGLIPLIRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001231214663 821510929 /nfs/dbraw/zinc/51/09/29/821510929.db2.gz BSRRDQKDGITQRB-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001231214663 821510932 /nfs/dbraw/zinc/51/09/32/821510932.db2.gz BSRRDQKDGITQRB-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001231214663 821510936 /nfs/dbraw/zinc/51/09/36/821510936.db2.gz BSRRDQKDGITQRB-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001231214663 821510940 /nfs/dbraw/zinc/51/09/40/821510940.db2.gz BSRRDQKDGITQRB-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC001273308164 821596542 /nfs/dbraw/zinc/59/65/42/821596542.db2.gz HKFIMLPFEYPKGZ-SOUVJXGZSA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085512725 821760641 /nfs/dbraw/zinc/76/06/41/821760641.db2.gz BJAIXQRONXZVCJ-OLZOCXBDSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085512725 821760648 /nfs/dbraw/zinc/76/06/48/821760648.db2.gz BJAIXQRONXZVCJ-OLZOCXBDSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001085512725 821760651 /nfs/dbraw/zinc/76/06/51/821760651.db2.gz BJAIXQRONXZVCJ-OLZOCXBDSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001085512725 821760658 /nfs/dbraw/zinc/76/06/58/821760658.db2.gz BJAIXQRONXZVCJ-OLZOCXBDSA-N 2 1 251.374 0.799 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085972672 822046328 /nfs/dbraw/zinc/04/63/28/822046328.db2.gz GCQTXZISQQANIB-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085972672 822046337 /nfs/dbraw/zinc/04/63/37/822046337.db2.gz GCQTXZISQQANIB-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC)C1 ZINC001086110237 822117523 /nfs/dbraw/zinc/11/75/23/822117523.db2.gz ZIFAGJJITKRHAN-MJBXVCDLSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC)C1 ZINC001086110237 822117529 /nfs/dbraw/zinc/11/75/29/822117529.db2.gz ZIFAGJJITKRHAN-MJBXVCDLSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129326748 822127261 /nfs/dbraw/zinc/12/72/61/822127261.db2.gz BXODVLRVJSMPCB-OAHLLOKOSA-N 2 1 297.443 0.873 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001086370424 822227629 /nfs/dbraw/zinc/22/76/29/822227629.db2.gz GDHYEOBRBQQHJI-ZQDZILKHSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129422594 837504192 /nfs/dbraw/zinc/50/41/92/837504192.db2.gz JZPHGCSLKRNMEZ-GFCCVEGCSA-N 2 1 260.341 0.490 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129418917 837505014 /nfs/dbraw/zinc/50/50/14/837505014.db2.gz YFGACLKZDMHFEN-CYBMUJFWSA-N 2 1 290.367 0.116 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001129771072 837558128 /nfs/dbraw/zinc/55/81/28/837558128.db2.gz QCYVPPHDKRHXSA-CABCVRRESA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001129771072 837558137 /nfs/dbraw/zinc/55/81/37/837558137.db2.gz QCYVPPHDKRHXSA-CABCVRRESA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)CC ZINC001129770381 837558431 /nfs/dbraw/zinc/55/84/31/837558431.db2.gz FHBCYRKARQUEPV-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)CC ZINC001129770381 837558439 /nfs/dbraw/zinc/55/84/39/837558439.db2.gz FHBCYRKARQUEPV-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130188326 837716224 /nfs/dbraw/zinc/71/62/24/837716224.db2.gz BUUFMCRBVFZMRB-GJZGRUSLSA-N 2 1 295.427 0.912 20 30 CCEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001183759030 844084514 /nfs/dbraw/zinc/08/45/14/844084514.db2.gz DVEMWJWWIZZDQL-CQSZACIVSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109686616 836713888 /nfs/dbraw/zinc/71/38/88/836713888.db2.gz ZUCOMXSCMIJLLR-CBBWQLFWSA-N 2 1 277.412 0.927 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109686616 836713896 /nfs/dbraw/zinc/71/38/96/836713896.db2.gz ZUCOMXSCMIJLLR-CBBWQLFWSA-N 2 1 277.412 0.927 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132264760 838348185 /nfs/dbraw/zinc/34/81/85/838348185.db2.gz BCMMLUHMFOBSFB-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273639 838351917 /nfs/dbraw/zinc/35/19/17/838351917.db2.gz IBOXDKOECGKIAE-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273639 838351920 /nfs/dbraw/zinc/35/19/20/838351920.db2.gz IBOXDKOECGKIAE-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135340824 839212244 /nfs/dbraw/zinc/21/22/44/839212244.db2.gz KBTGFYFXQMEDHD-UHFFFAOYSA-N 2 1 269.389 0.381 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675915 839352562 /nfs/dbraw/zinc/35/25/62/839352562.db2.gz NLTYUIRDLACHMN-ZIAGYGMSSA-N 2 1 281.400 0.215 20 30 CCEDMP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135692189 839364603 /nfs/dbraw/zinc/36/46/03/839364603.db2.gz GXWVBMJZHUCZGI-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246019929 839582177 /nfs/dbraw/zinc/58/21/77/839582177.db2.gz JBNPXOTZVRZKMF-MGPQQGTHSA-N 2 1 254.374 0.304 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001136499084 839636973 /nfs/dbraw/zinc/63/69/73/839636973.db2.gz KRPXFJANWAZPFN-CQSZACIVSA-N 2 1 265.401 0.742 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001091057806 840014969 /nfs/dbraw/zinc/01/49/69/840014969.db2.gz BZXUHKSABRGFCH-NRXISQOPSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879755 840324371 /nfs/dbraw/zinc/32/43/71/840324371.db2.gz OYOCCXMHKAKXAC-LSDHHAIUSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879755 840324386 /nfs/dbraw/zinc/32/43/86/840324386.db2.gz OYOCCXMHKAKXAC-LSDHHAIUSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879755 840324399 /nfs/dbraw/zinc/32/43/99/840324399.db2.gz OYOCCXMHKAKXAC-LSDHHAIUSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879754 840324838 /nfs/dbraw/zinc/32/48/38/840324838.db2.gz OYOCCXMHKAKXAC-HUUCEWRRSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879754 840324848 /nfs/dbraw/zinc/32/48/48/840324848.db2.gz OYOCCXMHKAKXAC-HUUCEWRRSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879754 840324859 /nfs/dbraw/zinc/32/48/59/840324859.db2.gz OYOCCXMHKAKXAC-HUUCEWRRSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148462491 840807110 /nfs/dbraw/zinc/80/71/10/840807110.db2.gz BOGQNRGJURJECY-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148578441 840851395 /nfs/dbraw/zinc/85/13/95/840851395.db2.gz SXKBKKUZOFUNCO-CYBMUJFWSA-N 2 1 298.431 0.115 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737098 840868304 /nfs/dbraw/zinc/86/83/04/840868304.db2.gz BTBYBFXBXHWRHB-INMHGKMJSA-N 2 1 289.423 0.740 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093132944 841152719 /nfs/dbraw/zinc/15/27/19/841152719.db2.gz HSUMMHNKXFDHCE-ZIAGYGMSSA-N 2 1 275.396 0.400 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093211261 841177585 /nfs/dbraw/zinc/17/75/85/841177585.db2.gz BSYUKDKZTWYBMR-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093211261 841177591 /nfs/dbraw/zinc/17/75/91/841177591.db2.gz BSYUKDKZTWYBMR-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093211261 841177595 /nfs/dbraw/zinc/17/75/95/841177595.db2.gz BSYUKDKZTWYBMR-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093211261 841177599 /nfs/dbraw/zinc/17/75/99/841177599.db2.gz BSYUKDKZTWYBMR-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036869942 841431131 /nfs/dbraw/zinc/43/11/31/841431131.db2.gz MQULHGCGZZUKCW-LSDHHAIUSA-N 2 1 287.407 0.638 20 30 CCEDMP CC[N@@H+]1CC[C@@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C1 ZINC001173360638 842057555 /nfs/dbraw/zinc/05/75/55/842057555.db2.gz QOZQYDUWXFWGPB-GFCCVEGCSA-N 2 1 260.341 0.585 20 30 CCEDMP CC[N@H+]1CC[C@@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C1 ZINC001173360638 842057567 /nfs/dbraw/zinc/05/75/67/842057567.db2.gz QOZQYDUWXFWGPB-GFCCVEGCSA-N 2 1 260.341 0.585 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001150334643 842171257 /nfs/dbraw/zinc/17/12/57/842171257.db2.gz YWAASLMVIDVSNZ-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150334643 842171263 /nfs/dbraw/zinc/17/12/63/842171263.db2.gz YWAASLMVIDVSNZ-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150334643 842171267 /nfs/dbraw/zinc/17/12/67/842171267.db2.gz YWAASLMVIDVSNZ-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178361425 842831009 /nfs/dbraw/zinc/83/10/09/842831009.db2.gz YWXNELXWNGSXIP-MELADBBJSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982226 842939765 /nfs/dbraw/zinc/93/97/65/842939765.db2.gz KPJSNOUZALIBKE-CBBWQLFWSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982226 842939770 /nfs/dbraw/zinc/93/97/70/842939770.db2.gz KPJSNOUZALIBKE-CBBWQLFWSA-N 2 1 293.411 0.308 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181822169 843621059 /nfs/dbraw/zinc/62/10/59/843621059.db2.gz PFRFDARXCSLMIR-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181822169 843621065 /nfs/dbraw/zinc/62/10/65/843621065.db2.gz PFRFDARXCSLMIR-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001183254801 843994672 /nfs/dbraw/zinc/99/46/72/843994672.db2.gz GJICQKFXAZNJPB-ZIAGYGMSSA-N 2 1 286.379 0.974 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193292709 846046028 /nfs/dbraw/zinc/04/60/28/846046028.db2.gz SGKFKKQJYZWUJA-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193292709 846046033 /nfs/dbraw/zinc/04/60/33/846046033.db2.gz SGKFKKQJYZWUJA-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193292709 846046039 /nfs/dbraw/zinc/04/60/39/846046039.db2.gz SGKFKKQJYZWUJA-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193643331 846135023 /nfs/dbraw/zinc/13/50/23/846135023.db2.gz SNQQDLNZYGOUTJ-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193643331 846135028 /nfs/dbraw/zinc/13/50/28/846135028.db2.gz SNQQDLNZYGOUTJ-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193643331 846135029 /nfs/dbraw/zinc/13/50/29/846135029.db2.gz SNQQDLNZYGOUTJ-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859564 846633770 /nfs/dbraw/zinc/63/37/70/846633770.db2.gz LCEGSAVDUXSYQE-BFHYXJOUSA-N 2 1 283.416 0.454 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197706511 846950100 /nfs/dbraw/zinc/95/01/00/846950100.db2.gz JNNJDZAKQGRHBL-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197706511 846950107 /nfs/dbraw/zinc/95/01/07/846950107.db2.gz JNNJDZAKQGRHBL-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197706511 846950109 /nfs/dbraw/zinc/95/01/09/846950109.db2.gz JNNJDZAKQGRHBL-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197706511 846950095 /nfs/dbraw/zinc/95/00/95/846950095.db2.gz JNNJDZAKQGRHBL-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198663180 847151574 /nfs/dbraw/zinc/15/15/74/847151574.db2.gz ZGVVSYQLJRFDKT-BFHYXJOUSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198663180 847151580 /nfs/dbraw/zinc/15/15/80/847151580.db2.gz ZGVVSYQLJRFDKT-BFHYXJOUSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198663180 847151584 /nfs/dbraw/zinc/15/15/84/847151584.db2.gz ZGVVSYQLJRFDKT-BFHYXJOUSA-N 2 1 281.400 0.066 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001202503004 848001985 /nfs/dbraw/zinc/00/19/85/848001985.db2.gz IAZPGMSJMUITGN-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114412310 848051831 /nfs/dbraw/zinc/05/18/31/848051831.db2.gz VCTCUAPUDDDART-NHAGDIPZSA-N 2 1 261.369 0.150 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114412310 848051839 /nfs/dbraw/zinc/05/18/39/848051839.db2.gz VCTCUAPUDDDART-NHAGDIPZSA-N 2 1 261.369 0.150 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114412310 848051847 /nfs/dbraw/zinc/05/18/47/848051847.db2.gz VCTCUAPUDDDART-NHAGDIPZSA-N 2 1 261.369 0.150 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001275099229 848637906 /nfs/dbraw/zinc/63/79/06/848637906.db2.gz SJOFECCKBNXOBF-QWRGUYRKSA-N 2 1 259.781 0.927 20 30 CCEDMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001275720705 848800110 /nfs/dbraw/zinc/80/01/10/848800110.db2.gz LORIILDPRYJQRI-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001275720705 848800114 /nfs/dbraw/zinc/80/01/14/848800114.db2.gz LORIILDPRYJQRI-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001275720705 848800117 /nfs/dbraw/zinc/80/01/17/848800117.db2.gz LORIILDPRYJQRI-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC ZINC001275849461 848845729 /nfs/dbraw/zinc/84/57/29/848845729.db2.gz FALACWVCPUVWJE-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC ZINC001275849461 848845731 /nfs/dbraw/zinc/84/57/31/848845731.db2.gz FALACWVCPUVWJE-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC ZINC001275849461 848845738 /nfs/dbraw/zinc/84/57/38/848845738.db2.gz FALACWVCPUVWJE-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC ZINC001275849461 848845739 /nfs/dbraw/zinc/84/57/39/848845739.db2.gz FALACWVCPUVWJE-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038538226 849936205 /nfs/dbraw/zinc/93/62/05/849936205.db2.gz VFALHYHMGOHSBP-MYMJJRTCSA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038538226 849936209 /nfs/dbraw/zinc/93/62/09/849936209.db2.gz VFALHYHMGOHSBP-MYMJJRTCSA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038538226 849936216 /nfs/dbraw/zinc/93/62/16/849936216.db2.gz VFALHYHMGOHSBP-MYMJJRTCSA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038538226 849936224 /nfs/dbraw/zinc/93/62/24/849936224.db2.gz VFALHYHMGOHSBP-MYMJJRTCSA-N 2 1 291.395 0.226 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039041709 850134304 /nfs/dbraw/zinc/13/43/04/850134304.db2.gz AINISOXDFJTDHL-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039041709 850134306 /nfs/dbraw/zinc/13/43/06/850134306.db2.gz AINISOXDFJTDHL-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039041709 850134308 /nfs/dbraw/zinc/13/43/08/850134308.db2.gz AINISOXDFJTDHL-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039041709 850134310 /nfs/dbraw/zinc/13/43/10/850134310.db2.gz AINISOXDFJTDHL-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCCF)CC1 ZINC001039041446 850137553 /nfs/dbraw/zinc/13/75/53/850137553.db2.gz CTHFNEBNJRWOKJ-HNNXBMFYSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041141571 850383666 /nfs/dbraw/zinc/38/36/66/850383666.db2.gz OOLRCUSCEYIHBI-GDBMZVCRSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001041141571 850383674 /nfs/dbraw/zinc/38/36/74/850383674.db2.gz OOLRCUSCEYIHBI-GDBMZVCRSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001041141571 850383687 /nfs/dbraw/zinc/38/36/87/850383687.db2.gz OOLRCUSCEYIHBI-GDBMZVCRSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001043884000 850956835 /nfs/dbraw/zinc/95/68/35/850956835.db2.gz ZJEJVAZPVWSOJE-GXTWGEPZSA-N 2 1 263.385 0.350 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043884000 850956837 /nfs/dbraw/zinc/95/68/37/850956837.db2.gz ZJEJVAZPVWSOJE-GXTWGEPZSA-N 2 1 263.385 0.350 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](C(C)C)C2)CC1 ZINC001044333425 851079961 /nfs/dbraw/zinc/07/99/61/851079961.db2.gz QHYSZDPFBWJILL-UHFFFAOYSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001045644153 851293209 /nfs/dbraw/zinc/29/32/09/851293209.db2.gz GHBTUIZRSYXXBY-CQSZACIVSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001045644153 851293212 /nfs/dbraw/zinc/29/32/12/851293212.db2.gz GHBTUIZRSYXXBY-CQSZACIVSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046196157 851418719 /nfs/dbraw/zinc/41/87/19/851418719.db2.gz ACTDWHUJFATUJU-ZFWWWQNUSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046196157 851418728 /nfs/dbraw/zinc/41/87/28/851418728.db2.gz ACTDWHUJFATUJU-ZFWWWQNUSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046196157 851418731 /nfs/dbraw/zinc/41/87/31/851418731.db2.gz ACTDWHUJFATUJU-ZFWWWQNUSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046196157 851418739 /nfs/dbraw/zinc/41/87/39/851418739.db2.gz ACTDWHUJFATUJU-ZFWWWQNUSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046596523 851559381 /nfs/dbraw/zinc/55/93/81/851559381.db2.gz ZAOKXHKLQXSJCK-INIZCTEOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046599444 851562127 /nfs/dbraw/zinc/56/21/27/851562127.db2.gz XGLHZRVTPMUUHE-OAHLLOKOSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624974 851837072 /nfs/dbraw/zinc/83/70/72/851837072.db2.gz VHYHPONALYOBFH-KBPBESRZSA-N 2 1 292.383 0.271 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624974 851837076 /nfs/dbraw/zinc/83/70/76/851837076.db2.gz VHYHPONALYOBFH-KBPBESRZSA-N 2 1 292.383 0.271 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001047638528 851845588 /nfs/dbraw/zinc/84/55/88/851845588.db2.gz XBZNQJUCKJCGEQ-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001047638528 851845571 /nfs/dbraw/zinc/84/55/71/851845571.db2.gz XBZNQJUCKJCGEQ-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001047638528 851845592 /nfs/dbraw/zinc/84/55/92/851845592.db2.gz XBZNQJUCKJCGEQ-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001047638528 851845598 /nfs/dbraw/zinc/84/55/98/851845598.db2.gz XBZNQJUCKJCGEQ-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723339 852032223 /nfs/dbraw/zinc/03/22/23/852032223.db2.gz CBJMWDITTJJNSZ-ZNMIVQPWSA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048723339 852032227 /nfs/dbraw/zinc/03/22/27/852032227.db2.gz CBJMWDITTJJNSZ-ZNMIVQPWSA-N 2 1 275.396 0.494 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048723339 852032239 /nfs/dbraw/zinc/03/22/39/852032239.db2.gz CBJMWDITTJJNSZ-ZNMIVQPWSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824115 852076286 /nfs/dbraw/zinc/07/62/86/852076286.db2.gz UHOZEAUHZHUBNC-XHSDSOJGSA-N 2 1 287.407 0.352 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001048849167 852082169 /nfs/dbraw/zinc/08/21/69/852082169.db2.gz DLSLDCMUAMOBCK-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849167 852082173 /nfs/dbraw/zinc/08/21/73/852082173.db2.gz DLSLDCMUAMOBCK-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849167 852082178 /nfs/dbraw/zinc/08/21/78/852082178.db2.gz DLSLDCMUAMOBCK-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001048864138 852086786 /nfs/dbraw/zinc/08/67/86/852086786.db2.gz FFDAEWVOLQNSPO-GASCZTMLSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001048864138 852086793 /nfs/dbraw/zinc/08/67/93/852086793.db2.gz FFDAEWVOLQNSPO-GASCZTMLSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001048864138 852086803 /nfs/dbraw/zinc/08/68/03/852086803.db2.gz FFDAEWVOLQNSPO-GASCZTMLSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001048890388 852100239 /nfs/dbraw/zinc/10/02/39/852100239.db2.gz GIKMQMRUMQIKOP-QLFBSQMISA-N 2 1 277.412 0.740 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001049038375 852145521 /nfs/dbraw/zinc/14/55/21/852145521.db2.gz GJYWSZUFGKAGMU-OWCLPIDISA-N 2 1 291.439 0.986 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001049889606 852391782 /nfs/dbraw/zinc/39/17/82/852391782.db2.gz HHSJAKZGHURKRD-QLFBSQMISA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001049889606 852391791 /nfs/dbraw/zinc/39/17/91/852391791.db2.gz HHSJAKZGHURKRD-QLFBSQMISA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001049889606 852391800 /nfs/dbraw/zinc/39/18/00/852391800.db2.gz HHSJAKZGHURKRD-QLFBSQMISA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072981226 854508324 /nfs/dbraw/zinc/50/83/24/854508324.db2.gz AYJYLYBCLPIIIM-LSDHHAIUSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001072981226 854508329 /nfs/dbraw/zinc/50/83/29/854508329.db2.gz AYJYLYBCLPIIIM-LSDHHAIUSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001072981226 854508332 /nfs/dbraw/zinc/50/83/32/854508332.db2.gz AYJYLYBCLPIIIM-LSDHHAIUSA-N 2 1 289.423 0.742 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074710880 854768826 /nfs/dbraw/zinc/76/88/26/854768826.db2.gz JHUNIPSUCNURNX-CBBWQLFWSA-N 2 1 295.427 0.861 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074710880 854768830 /nfs/dbraw/zinc/76/88/30/854768830.db2.gz JHUNIPSUCNURNX-CBBWQLFWSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001075111806 854813521 /nfs/dbraw/zinc/81/35/21/854813521.db2.gz WRWZFKCKFLQCQX-KKUMJFAQSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099878919 855015929 /nfs/dbraw/zinc/01/59/29/855015929.db2.gz BGRBTJOMOJXXPF-LSDHHAIUSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099878919 855015936 /nfs/dbraw/zinc/01/59/36/855015936.db2.gz BGRBTJOMOJXXPF-LSDHHAIUSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099878919 855015939 /nfs/dbraw/zinc/01/59/39/855015939.db2.gz BGRBTJOMOJXXPF-LSDHHAIUSA-N 2 1 295.427 0.598 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100009285 855070371 /nfs/dbraw/zinc/07/03/71/855070371.db2.gz VVFPFTPQAISZNN-KBPBESRZSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100009285 855070378 /nfs/dbraw/zinc/07/03/78/855070378.db2.gz VVFPFTPQAISZNN-KBPBESRZSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100009285 855070385 /nfs/dbraw/zinc/07/03/85/855070385.db2.gz VVFPFTPQAISZNN-KBPBESRZSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100009285 855070390 /nfs/dbraw/zinc/07/03/90/855070390.db2.gz VVFPFTPQAISZNN-KBPBESRZSA-N 2 1 295.427 0.149 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100047835 855084798 /nfs/dbraw/zinc/08/47/98/855084798.db2.gz BMXJCWMLCKQHDU-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100085798 855098345 /nfs/dbraw/zinc/09/83/45/855098345.db2.gz QYDSNULDNVORBJ-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100085798 855098354 /nfs/dbraw/zinc/09/83/54/855098354.db2.gz QYDSNULDNVORBJ-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100085798 855098363 /nfs/dbraw/zinc/09/83/63/855098363.db2.gz QYDSNULDNVORBJ-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110684 855100621 /nfs/dbraw/zinc/10/06/21/855100621.db2.gz ZORIITGPWZIELW-GJZGRUSLSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100211895 855120901 /nfs/dbraw/zinc/12/09/01/855120901.db2.gz FZNRNCGYGNPNCP-NRXISQOPSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100211895 855120904 /nfs/dbraw/zinc/12/09/04/855120904.db2.gz FZNRNCGYGNPNCP-NRXISQOPSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCOC)C1 ZINC001100415176 855163682 /nfs/dbraw/zinc/16/36/82/855163682.db2.gz BUYJVNXEIATWFY-NRXISQOPSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCOC)C1 ZINC001100415176 855163684 /nfs/dbraw/zinc/16/36/84/855163684.db2.gz BUYJVNXEIATWFY-NRXISQOPSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642095 855525386 /nfs/dbraw/zinc/52/53/86/855525386.db2.gz QPDDSHPPMCJPFD-HUUCEWRRSA-N 2 1 295.427 0.272 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103997949 855560125 /nfs/dbraw/zinc/56/01/25/855560125.db2.gz DKHRYZNWWRFXIX-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCC ZINC001115161611 855647765 /nfs/dbraw/zinc/64/77/65/855647765.db2.gz IRIDKZGZRIWIBE-FOLVSLTJSA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115161611 855647771 /nfs/dbraw/zinc/64/77/71/855647771.db2.gz IRIDKZGZRIWIBE-FOLVSLTJSA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115161611 855647774 /nfs/dbraw/zinc/64/77/74/855647774.db2.gz IRIDKZGZRIWIBE-FOLVSLTJSA-N 2 1 295.427 0.577 20 30 CCEDMP C#CCC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001323493616 912370971 /nfs/dbraw/zinc/37/09/71/912370971.db2.gz NBLDYKALXOGXKU-UHFFFAOYSA-N 2 1 260.341 0.453 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001325003348 913145367 /nfs/dbraw/zinc/14/53/67/913145367.db2.gz UDUKDWMCALZVQO-ZIAGYGMSSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001325271950 913312721 /nfs/dbraw/zinc/31/27/21/913312721.db2.gz BMRVNYDLXWTAQL-CQSZACIVSA-N 2 1 297.443 0.702 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211072978 891580457 /nfs/dbraw/zinc/58/04/57/891580457.db2.gz XWJSVQBZLDUZAV-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001480975764 892002947 /nfs/dbraw/zinc/00/29/47/892002947.db2.gz GWAXJCDHPYBYJU-UHFFFAOYSA-N 2 1 291.399 0.130 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001481066980 892130521 /nfs/dbraw/zinc/13/05/21/892130521.db2.gz YNWQFTAWKUKCAK-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481066980 892130528 /nfs/dbraw/zinc/13/05/28/892130528.db2.gz YNWQFTAWKUKCAK-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001481066980 892130536 /nfs/dbraw/zinc/13/05/36/892130536.db2.gz YNWQFTAWKUKCAK-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2ccnc2C)C1 ZINC001481506717 892754493 /nfs/dbraw/zinc/75/44/93/892754493.db2.gz JUDHTQLDMLHVAL-OAHLLOKOSA-N 2 1 288.395 0.995 20 30 CCEDMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001481506717 892754500 /nfs/dbraw/zinc/75/45/00/892754500.db2.gz JUDHTQLDMLHVAL-OAHLLOKOSA-N 2 1 288.395 0.995 20 30 CCEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001481506717 892754506 /nfs/dbraw/zinc/75/45/06/892754506.db2.gz JUDHTQLDMLHVAL-OAHLLOKOSA-N 2 1 288.395 0.995 20 30 CCEDMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001481816074 893182774 /nfs/dbraw/zinc/18/27/74/893182774.db2.gz JELWVEYGECRPEU-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482168431 893453735 /nfs/dbraw/zinc/45/37/35/893453735.db2.gz NIBGYFHWQMNNMX-STQMWFEESA-N 2 1 253.390 0.856 20 30 CCEDMP C#CC[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482617666 894414665 /nfs/dbraw/zinc/41/46/65/894414665.db2.gz NWRXBYBMKLXKHO-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482617666 894414675 /nfs/dbraw/zinc/41/46/75/894414675.db2.gz NWRXBYBMKLXKHO-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001482901340 894672261 /nfs/dbraw/zinc/67/22/61/894672261.db2.gz PSOLTKPSSSMGQV-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001482901340 894672266 /nfs/dbraw/zinc/67/22/66/894672266.db2.gz PSOLTKPSSSMGQV-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C=C(C)C[NH2+]CCN(CC)C(=O)CC[NH+]1CCOCC1 ZINC001482956024 894722269 /nfs/dbraw/zinc/72/22/69/894722269.db2.gz BEEZFMDNMOMKTK-UHFFFAOYSA-N 2 1 283.416 0.723 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001507090911 895381078 /nfs/dbraw/zinc/38/10/78/895381078.db2.gz GTIIISHDJHRMSH-LBPRGKRZSA-N 2 1 292.383 0.810 20 30 CCEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001483373815 895507747 /nfs/dbraw/zinc/50/77/47/895507747.db2.gz DLCHAYFXQXGYST-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483373815 895507761 /nfs/dbraw/zinc/50/77/61/895507761.db2.gz DLCHAYFXQXGYST-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483373815 895507770 /nfs/dbraw/zinc/50/77/70/895507770.db2.gz DLCHAYFXQXGYST-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001484843120 896630740 /nfs/dbraw/zinc/63/07/40/896630740.db2.gz FWINLRODSJMLFZ-OAHLLOKOSA-N 2 1 292.383 0.321 20 30 CCEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001484856319 896637733 /nfs/dbraw/zinc/63/77/33/896637733.db2.gz OWQJTYBGJWNEQO-INIZCTEOSA-N 2 1 297.443 0.846 20 30 CCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001485340641 896963758 /nfs/dbraw/zinc/96/37/58/896963758.db2.gz XIQBWSUZQFXYBM-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032731821 898024901 /nfs/dbraw/zinc/02/49/01/898024901.db2.gz QUYNPIXYGQHBDV-ILXRZTDVSA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032731821 898024917 /nfs/dbraw/zinc/02/49/17/898024917.db2.gz QUYNPIXYGQHBDV-ILXRZTDVSA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001032731821 898024929 /nfs/dbraw/zinc/02/49/29/898024929.db2.gz QUYNPIXYGQHBDV-ILXRZTDVSA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032731821 898024938 /nfs/dbraw/zinc/02/49/38/898024938.db2.gz QUYNPIXYGQHBDV-ILXRZTDVSA-N 2 1 275.396 0.637 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486347883 898827316 /nfs/dbraw/zinc/82/73/16/898827316.db2.gz UHOYULMZOOFJHU-CQSZACIVSA-N 2 1 283.416 0.265 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001327050050 914338257 /nfs/dbraw/zinc/33/82/57/914338257.db2.gz VHYBIVZZFFDWDM-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176565674 899976741 /nfs/dbraw/zinc/97/67/41/899976741.db2.gz WWWJDKAQSOADSW-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001490741600 900713062 /nfs/dbraw/zinc/71/30/62/900713062.db2.gz WKNASSZYNHWKJW-ZIAGYGMSSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001490778930 900722844 /nfs/dbraw/zinc/72/28/44/900722844.db2.gz YHSSYXVRSGIIDY-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001491080215 903337963 /nfs/dbraw/zinc/33/79/63/903337963.db2.gz GMMKVFLNDZOHLF-ZNMIVQPWSA-N 2 1 295.427 0.910 20 30 CCEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001491080215 903337977 /nfs/dbraw/zinc/33/79/77/903337977.db2.gz GMMKVFLNDZOHLF-ZNMIVQPWSA-N 2 1 295.427 0.910 20 30 CCEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001491230421 903457959 /nfs/dbraw/zinc/45/79/59/903457959.db2.gz NKSDDXVXWPUWMB-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001491230421 903457966 /nfs/dbraw/zinc/45/79/66/903457966.db2.gz NKSDDXVXWPUWMB-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001491230421 903457977 /nfs/dbraw/zinc/45/79/77/903457977.db2.gz NKSDDXVXWPUWMB-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001281147736 904232155 /nfs/dbraw/zinc/23/21/55/904232155.db2.gz TUKGBWLAEQJGPA-GDBMZVCRSA-N 2 1 293.411 0.047 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001283102394 904694921 /nfs/dbraw/zinc/69/49/21/904694921.db2.gz NNTURNURRUDDEO-MGPQQGTHSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001283187842 904737845 /nfs/dbraw/zinc/73/78/45/904737845.db2.gz AMCKUAYNMYURGO-CABCVRRESA-N 2 1 275.396 0.592 20 30 CCEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001283187842 904737857 /nfs/dbraw/zinc/73/78/57/904737857.db2.gz AMCKUAYNMYURGO-CABCVRRESA-N 2 1 275.396 0.592 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC001296699594 906949748 /nfs/dbraw/zinc/94/97/48/906949748.db2.gz YYSXJOMEZUGVNH-AWEZNQCLSA-N 2 1 282.432 0.246 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001492073206 907693378 /nfs/dbraw/zinc/69/33/78/907693378.db2.gz NARVECYIPJRLKA-IHRRRGAJSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CCC[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001492110550 907704975 /nfs/dbraw/zinc/70/49/75/907704975.db2.gz JVFHHXPNLMMBKI-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001341569362 908616443 /nfs/dbraw/zinc/61/64/43/908616443.db2.gz MRTUPPASGSVYIW-MELADBBJSA-N 2 1 265.401 0.692 20 30 CCEDMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001317033518 908931825 /nfs/dbraw/zinc/93/18/25/908931825.db2.gz HWJXTBWLVLYYSE-UONOGXRCSA-N 2 1 263.385 0.446 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317126220 908997389 /nfs/dbraw/zinc/99/73/89/908997389.db2.gz MSADTJPHISRHQS-RWMBFGLXSA-N 2 1 251.374 0.751 20 30 CCEDMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001317167782 909022421 /nfs/dbraw/zinc/02/24/21/909022421.db2.gz RQVRLTJNDQJJCJ-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001317167782 909022441 /nfs/dbraw/zinc/02/24/41/909022441.db2.gz RQVRLTJNDQJJCJ-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001317532155 909297657 /nfs/dbraw/zinc/29/76/57/909297657.db2.gz GWFGYEIEZPSJKY-OAHLLOKOSA-N 2 1 295.427 0.723 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001317532155 909297676 /nfs/dbraw/zinc/29/76/76/909297676.db2.gz GWFGYEIEZPSJKY-OAHLLOKOSA-N 2 1 295.427 0.723 20 30 CCEDMP C=CC[NH+]1CCN(CCN(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001317824034 909516983 /nfs/dbraw/zinc/51/69/83/909516983.db2.gz JCAGLPVAWGUKHR-UHFFFAOYSA-N 2 1 296.459 0.590 20 30 CCEDMP CC#CC[NH2+][C@H](CC)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001318570755 909820083 /nfs/dbraw/zinc/82/00/83/909820083.db2.gz QMQWKRHZCOTHQC-ZIAGYGMSSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001319286695 910071436 /nfs/dbraw/zinc/07/14/36/910071436.db2.gz XZIPNUDGEOKMQI-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001327978232 914904541 /nfs/dbraw/zinc/90/45/41/914904541.db2.gz MEIPLXQQPZKCJQ-OLZOCXBDSA-N 2 1 251.374 0.588 20 30 CCEDMP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001329408758 915888052 /nfs/dbraw/zinc/88/80/52/915888052.db2.gz JPZZIHGDRNELON-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001329408758 915888066 /nfs/dbraw/zinc/88/80/66/915888066.db2.gz JPZZIHGDRNELON-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001329408758 915888087 /nfs/dbraw/zinc/88/80/87/915888087.db2.gz JPZZIHGDRNELON-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001329408758 915888101 /nfs/dbraw/zinc/88/81/01/915888101.db2.gz JPZZIHGDRNELON-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401575823 916341036 /nfs/dbraw/zinc/34/10/36/916341036.db2.gz GJHGMBAHBNFEKB-NWDGAFQWSA-N 2 1 289.807 0.147 20 30 CCEDMP N#CCCCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001330751342 916835981 /nfs/dbraw/zinc/83/59/81/916835981.db2.gz GKMJJLABSHWBRC-UHFFFAOYSA-N 2 1 262.361 0.547 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001331599456 917441641 /nfs/dbraw/zinc/44/16/41/917441641.db2.gz XJMRHZJYFVNZCV-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001406291543 919155404 /nfs/dbraw/zinc/15/54/04/919155404.db2.gz AJIGTIPWHDJTOB-LLVKDONJSA-N 2 1 277.796 0.146 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC001335350723 920138935 /nfs/dbraw/zinc/13/89/35/920138935.db2.gz IPMRFNVKBIAUON-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC001335395654 920167891 /nfs/dbraw/zinc/16/78/91/920167891.db2.gz XHQBPPHQWNRHPS-UONOGXRCSA-N 2 1 268.405 0.124 20 30 CCEDMP C=CC[C@]1(C(=O)Nc2cc3n(n2)CC[NH2+]C3)CCC[NH2+]1 ZINC001345444139 923889255 /nfs/dbraw/zinc/88/92/55/923889255.db2.gz NUFUVPGVPKMLFM-CQSZACIVSA-N 2 1 275.356 0.623 20 30 CCEDMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1(C)C ZINC000600736153 362050253 /nfs/dbraw/zinc/05/02/53/362050253.db2.gz QQQXWVZXSDZYEX-AWEZNQCLSA-N 2 1 294.443 0.657 20 30 CCEDMP C=CC[N@@H+](CCOC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000362045441 357052514 /nfs/dbraw/zinc/05/25/14/357052514.db2.gz CREUOXONMRCZHV-UHFFFAOYSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@H+](CCOC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000362045441 357052515 /nfs/dbraw/zinc/05/25/15/357052515.db2.gz CREUOXONMRCZHV-UHFFFAOYSA-N 2 1 283.416 0.721 20 30 CCEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000402131752 357808170 /nfs/dbraw/zinc/80/81/70/357808170.db2.gz FDAPPRFTXJBWQU-QLFBSQMISA-N 2 1 287.363 0.449 20 30 CCEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000402131752 357808173 /nfs/dbraw/zinc/80/81/73/357808173.db2.gz FDAPPRFTXJBWQU-QLFBSQMISA-N 2 1 287.363 0.449 20 30 CCEDMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441805 360310129 /nfs/dbraw/zinc/31/01/29/360310129.db2.gz XABHJZCQBLQGKI-RYUDHWBXSA-N 2 1 252.362 0.608 20 30 CCEDMP C#CC[N@H+](C)CCCNc1nc2c(cnn2C)c(N)n1 ZINC000292742250 388954439 /nfs/dbraw/zinc/95/44/39/388954439.db2.gz IZBICISSMXHFNO-UHFFFAOYSA-N 2 1 273.344 0.313 20 30 CCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCCN2CC[NH+](C)CC2)C1=O ZINC000337189760 389051864 /nfs/dbraw/zinc/05/18/64/389051864.db2.gz RXWGMECTSRFMNW-OAHLLOKOSA-N 2 1 294.443 0.343 20 30 CCEDMP C[C@@H]1C[N@@H+](CCOCCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000339059100 389123169 /nfs/dbraw/zinc/12/31/69/389123169.db2.gz FRCAXUUIXOPQTJ-HZPDHXFCSA-N 2 1 294.443 0.874 20 30 CCEDMP C[NH+]=C(NCc1ccco1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000264068507 389304912 /nfs/dbraw/zinc/30/49/12/389304912.db2.gz RIHDTSWMQODPMB-NSHDSACASA-N 2 1 250.346 0.896 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccsc1 ZINC000264086172 389305695 /nfs/dbraw/zinc/30/56/95/389305695.db2.gz JHIUXKLWAIQGEV-UHFFFAOYSA-N 2 1 282.413 0.875 20 30 CCEDMP CNC(NCc1ccc(-n2cc[nH+]c2C)nc1)=[NH+]C ZINC000264123834 389307735 /nfs/dbraw/zinc/30/77/35/389307735.db2.gz VTPHMQVZVPAZHL-UHFFFAOYSA-N 2 1 258.329 0.871 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000163262840 389427603 /nfs/dbraw/zinc/42/76/03/389427603.db2.gz CKQUGMMRQMKLSI-STQMWFEESA-N 2 1 251.374 0.856 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000163262840 389427606 /nfs/dbraw/zinc/42/76/06/389427606.db2.gz CKQUGMMRQMKLSI-STQMWFEESA-N 2 1 251.374 0.856 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCC[NH2+]CC2)C1=O ZINC000420312814 389982171 /nfs/dbraw/zinc/98/21/71/389982171.db2.gz OYVDRSVTZDRVEK-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCC[NH2+]CC2)C1=O ZINC000420312814 389982174 /nfs/dbraw/zinc/98/21/74/389982174.db2.gz OYVDRSVTZDRVEK-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000491340108 390112053 /nfs/dbraw/zinc/11/20/53/390112053.db2.gz VOUGOOVWAQEBSZ-CYBMUJFWSA-N 2 1 266.389 0.240 20 30 CCEDMP C=CC[NH+]1CCC(NC[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000567680326 390710325 /nfs/dbraw/zinc/71/03/25/390710325.db2.gz WDYHSMHWWSQQNN-HNNXBMFYSA-N 2 1 267.417 0.682 20 30 CCEDMP C[NH+]1CCC(N2CC[C@H](Nc3cnc(C#N)cn3)C2)CC1 ZINC000372177933 144356464 /nfs/dbraw/zinc/35/64/64/144356464.db2.gz FYMKXIUZIICXBM-LBPRGKRZSA-N 2 1 286.383 0.929 20 30 CCEDMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000550853418 286113410 /nfs/dbraw/zinc/11/34/10/286113410.db2.gz SQIDLSOJPNCBIP-UHFFFAOYSA-N 2 1 281.323 0.896 20 30 CCEDMP C=CC[C@@]1(C(=O)NCCC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662659677 414738082 /nfs/dbraw/zinc/73/80/82/414738082.db2.gz OETZQEHBDGMOGN-HNNXBMFYSA-N 2 1 281.400 0.523 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+](CCC)C1CC[NH2+]CC1 ZINC000037539129 260114254 /nfs/dbraw/zinc/11/42/54/260114254.db2.gz SGRGIPYMPFXQEZ-UHFFFAOYSA-N 2 1 282.388 0.462 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC000037539129 260114256 /nfs/dbraw/zinc/11/42/56/260114256.db2.gz SGRGIPYMPFXQEZ-UHFFFAOYSA-N 2 1 282.388 0.462 20 30 CCEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000249862038 261259084 /nfs/dbraw/zinc/25/90/84/261259084.db2.gz GGZOBFBTXOVYOX-QWHCGFSZSA-N 2 1 268.405 0.802 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000491784136 262046192 /nfs/dbraw/zinc/04/61/92/262046192.db2.gz QHAXSLTVNFKKNA-CHWSQXEVSA-N 2 1 266.389 0.320 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000072861007 264272272 /nfs/dbraw/zinc/27/22/72/264272272.db2.gz SKZPHMFIGZSLDH-STQMWFEESA-N 2 1 296.415 0.660 20 30 CCEDMP Cc1cccnc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267396560 328177908 /nfs/dbraw/zinc/17/79/08/328177908.db2.gz FCYJIEOJCQSEJR-UHFFFAOYSA-N 2 1 291.399 0.517 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N(C)C ZINC000262167252 330001306 /nfs/dbraw/zinc/00/13/06/330001306.db2.gz BWDJTDPRPUJXMY-CYBMUJFWSA-N 2 1 270.421 0.870 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnc2n1CCC2 ZINC000262241465 330002517 /nfs/dbraw/zinc/00/25/17/330002517.db2.gz HUJIKARYZLPMRG-NSHDSACASA-N 2 1 291.403 0.113 20 30 CCEDMP [NH2+]=C(NC[C@H]1CCCO1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262420155 330009308 /nfs/dbraw/zinc/00/93/08/330009308.db2.gz FGBGPNSYLJJYPK-GHMZBOCLSA-N 2 1 263.345 0.281 20 30 CCEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N1CCC1 ZINC000263099959 330043561 /nfs/dbraw/zinc/04/35/61/330043561.db2.gz JVKRGDRBFFDUND-OAHLLOKOSA-N 2 1 288.395 0.774 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@H](C)O1 ZINC000263151145 330046127 /nfs/dbraw/zinc/04/61/27/330046127.db2.gz PLYSKHVZDGHSTH-YNEHKIRRSA-N 2 1 268.405 0.943 20 30 CCEDMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C[N@H+]1C1CC1 ZINC000424137643 330275099 /nfs/dbraw/zinc/27/50/99/330275099.db2.gz BCJJHBOCRFKSBA-WZRBSPASSA-N 2 1 264.373 0.749 20 30 CCEDMP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424149269 330295729 /nfs/dbraw/zinc/29/57/29/330295729.db2.gz WELBWURYNYCMLH-AWEZNQCLSA-N 2 1 296.415 0.577 20 30 CCEDMP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1C[C@@H](C)O ZINC000424149226 330295776 /nfs/dbraw/zinc/29/57/76/330295776.db2.gz VYJRFEBHPIIWSV-MCIONIFRSA-N 2 1 296.415 0.311 20 30 CCEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000451605172 331036292 /nfs/dbraw/zinc/03/62/92/331036292.db2.gz CJUUMPUFLWADOU-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C#CC(C)(C)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000491210257 332166751 /nfs/dbraw/zinc/16/67/51/332166751.db2.gz RRXLLICNRGOUNR-UHFFFAOYSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC(C)(C)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000491210257 332166752 /nfs/dbraw/zinc/16/67/52/332166752.db2.gz RRXLLICNRGOUNR-UHFFFAOYSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000491464794 332216873 /nfs/dbraw/zinc/21/68/73/332216873.db2.gz TXEYBEQZAIEAJY-ZIAGYGMSSA-N 2 1 280.416 0.758 20 30 CCEDMP C#C[C@H](CC)NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000491734138 332315092 /nfs/dbraw/zinc/31/50/92/332315092.db2.gz RRJLLNYALSJIFO-GFCCVEGCSA-N 2 1 252.362 0.234 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)C[C@@H](O)C1CC1)C[C@@H](O)C1CC1 ZINC000671241806 545244814 /nfs/dbraw/zinc/24/48/14/545244814.db2.gz DVEMZEZWVATHHZ-HZPDHXFCSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@H]1C[N@@H+](Cc2ccccn2)CCC1N=NC(N)=[NH2+] ZINC000734363343 581557752 /nfs/dbraw/zinc/55/77/52/581557752.db2.gz ZAVLIIPHMUHPFB-JTQLQIEISA-N 2 1 260.345 0.762 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000754227407 581581440 /nfs/dbraw/zinc/58/14/40/581581440.db2.gz WZLSNFQFNVSJFF-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000742235094 581775048 /nfs/dbraw/zinc/77/50/48/581775048.db2.gz MVVHAZIHLOXXQT-CYBMUJFWSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000742235094 581775050 /nfs/dbraw/zinc/77/50/50/581775050.db2.gz MVVHAZIHLOXXQT-CYBMUJFWSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000732058266 581800235 /nfs/dbraw/zinc/80/02/35/581800235.db2.gz QVQUBFZWECIGMH-KFWWJZLASA-N 2 1 275.396 0.827 20 30 CCEDMP C=CCNC(=S)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732721831 581844628 /nfs/dbraw/zinc/84/46/28/581844628.db2.gz VYAYNVYZPNGBBT-LBPRGKRZSA-N 2 1 282.457 0.805 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](COC)[C@H]1CCCOC1 ZINC000883223956 613078981 /nfs/dbraw/zinc/07/89/81/613078981.db2.gz BBIZJISRCWIADN-GJZGRUSLSA-N 2 1 268.401 0.973 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](COC)[C@H]1CCCOC1 ZINC000883223956 613078983 /nfs/dbraw/zinc/07/89/83/613078983.db2.gz BBIZJISRCWIADN-GJZGRUSLSA-N 2 1 268.401 0.973 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000850470994 613079410 /nfs/dbraw/zinc/07/94/10/613079410.db2.gz LBIOLXZQNCONCW-UPJWGTAASA-N 2 1 252.358 0.729 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000850470994 613079412 /nfs/dbraw/zinc/07/94/12/613079412.db2.gz LBIOLXZQNCONCW-UPJWGTAASA-N 2 1 252.358 0.729 20 30 CCEDMP C#CCC1(O)CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000880482924 612973395 /nfs/dbraw/zinc/97/33/95/612973395.db2.gz VSARBEDNFOIVMQ-UHFFFAOYSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CCOCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000851843867 612983868 /nfs/dbraw/zinc/98/38/68/612983868.db2.gz NMTYSZRPZUXILO-HNNXBMFYSA-N 2 1 265.401 0.348 20 30 CCEDMP C#CCOCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000851843867 612983869 /nfs/dbraw/zinc/98/38/69/612983869.db2.gz NMTYSZRPZUXILO-HNNXBMFYSA-N 2 1 265.401 0.348 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000981438396 613003442 /nfs/dbraw/zinc/00/34/42/613003442.db2.gz RVEWLMQENMXCOR-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900473673 613008965 /nfs/dbraw/zinc/00/89/65/613008965.db2.gz HWCJXWSVYMNSCJ-UHFFFAOYSA-N 2 1 261.369 0.250 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000977924073 613041739 /nfs/dbraw/zinc/04/17/39/613041739.db2.gz VMKKQFUMWMSADD-APIJFGDWSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977924073 613041740 /nfs/dbraw/zinc/04/17/40/613041740.db2.gz VMKKQFUMWMSADD-APIJFGDWSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977924073 613041742 /nfs/dbraw/zinc/04/17/42/613041742.db2.gz VMKKQFUMWMSADD-APIJFGDWSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000843270773 613072806 /nfs/dbraw/zinc/07/28/06/613072806.db2.gz ZKTJPJJRMRXURV-UONOGXRCSA-N 2 1 291.395 0.411 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000851662037 613075219 /nfs/dbraw/zinc/07/52/19/613075219.db2.gz SCRKWDRDHCHLSW-CYBMUJFWSA-N 2 1 268.405 0.614 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000854094320 613075243 /nfs/dbraw/zinc/07/52/43/613075243.db2.gz MDWOBDXRUNJBDA-CYBMUJFWSA-N 2 1 268.405 0.581 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000897518462 613133937 /nfs/dbraw/zinc/13/39/37/613133937.db2.gz HMQWQNLBGHWTNU-AWEZNQCLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](CC)C[C@H]2C)CC1 ZINC000921406332 613134867 /nfs/dbraw/zinc/13/48/67/613134867.db2.gz HDGYSSOMXYZQGT-UKRRQHHQSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981959319 613154224 /nfs/dbraw/zinc/15/42/24/613154224.db2.gz LOOKHVVHEZIEPM-ZIAGYGMSSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000981959319 613154225 /nfs/dbraw/zinc/15/42/25/613154225.db2.gz LOOKHVVHEZIEPM-ZIAGYGMSSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981959319 613154227 /nfs/dbraw/zinc/15/42/27/613154227.db2.gz LOOKHVVHEZIEPM-ZIAGYGMSSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981959319 613154229 /nfs/dbraw/zinc/15/42/29/613154229.db2.gz LOOKHVVHEZIEPM-ZIAGYGMSSA-N 2 1 263.385 0.352 20 30 CCEDMP C#C[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000847017974 613158655 /nfs/dbraw/zinc/15/86/55/613158655.db2.gz GMHRBLWZWMHFIX-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000847017974 613158656 /nfs/dbraw/zinc/15/86/56/613158656.db2.gz GMHRBLWZWMHFIX-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000923578365 613165666 /nfs/dbraw/zinc/16/56/66/613165666.db2.gz YTPIRLYLVFRUMR-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000923578365 613165668 /nfs/dbraw/zinc/16/56/68/613165668.db2.gz YTPIRLYLVFRUMR-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000923561067 613173071 /nfs/dbraw/zinc/17/30/71/613173071.db2.gz QOMARXXXZWZGLX-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000923561067 613173072 /nfs/dbraw/zinc/17/30/72/613173072.db2.gz QOMARXXXZWZGLX-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000923561067 613173073 /nfs/dbraw/zinc/17/30/73/613173073.db2.gz QOMARXXXZWZGLX-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000923561067 613173074 /nfs/dbraw/zinc/17/30/74/613173074.db2.gz QOMARXXXZWZGLX-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000829582763 613181689 /nfs/dbraw/zinc/18/16/89/613181689.db2.gz QBHJCNVECPIZFR-ZDUSSCGKSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000829582763 613181692 /nfs/dbraw/zinc/18/16/92/613181692.db2.gz QBHJCNVECPIZFR-ZDUSSCGKSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000884283168 613184838 /nfs/dbraw/zinc/18/48/38/613184838.db2.gz AKTXMYYMEOWRNL-AWEZNQCLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000884283168 613184839 /nfs/dbraw/zinc/18/48/39/613184839.db2.gz AKTXMYYMEOWRNL-AWEZNQCLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CC)C1 ZINC000884041059 613186600 /nfs/dbraw/zinc/18/66/00/613186600.db2.gz LBZPHCDLMMRPOS-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CC)C1 ZINC000884041059 613186602 /nfs/dbraw/zinc/18/66/02/613186602.db2.gz LBZPHCDLMMRPOS-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+]2CC)C1 ZINC000884041059 613186603 /nfs/dbraw/zinc/18/66/03/613186603.db2.gz LBZPHCDLMMRPOS-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+]2CC)C1 ZINC000884041059 613186606 /nfs/dbraw/zinc/18/66/06/613186606.db2.gz LBZPHCDLMMRPOS-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000923553506 613190074 /nfs/dbraw/zinc/19/00/74/613190074.db2.gz JYETZTWUIGHBBH-SOUVJXGZSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000923553506 613190075 /nfs/dbraw/zinc/19/00/75/613190075.db2.gz JYETZTWUIGHBBH-SOUVJXGZSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000923553506 613190076 /nfs/dbraw/zinc/19/00/76/613190076.db2.gz JYETZTWUIGHBBH-SOUVJXGZSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000923553506 613190078 /nfs/dbraw/zinc/19/00/78/613190078.db2.gz JYETZTWUIGHBBH-SOUVJXGZSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000834526445 613195207 /nfs/dbraw/zinc/19/52/07/613195207.db2.gz PMHCMUVFVMEFFH-ZDUSSCGKSA-N 2 1 261.369 0.248 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000834526445 613195208 /nfs/dbraw/zinc/19/52/08/613195208.db2.gz PMHCMUVFVMEFFH-ZDUSSCGKSA-N 2 1 261.369 0.248 20 30 CCEDMP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@H+]1CCCO ZINC000849034587 613220324 /nfs/dbraw/zinc/22/03/24/613220324.db2.gz ZJTMKEUJUJFHPS-CYBMUJFWSA-N 2 1 294.399 0.791 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048326 613297265 /nfs/dbraw/zinc/29/72/65/613297265.db2.gz HDAMOHUVWAVKAV-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048326 613297267 /nfs/dbraw/zinc/29/72/67/613297267.db2.gz HDAMOHUVWAVKAV-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048326 613297269 /nfs/dbraw/zinc/29/72/69/613297269.db2.gz HDAMOHUVWAVKAV-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048326 613297270 /nfs/dbraw/zinc/29/72/70/613297270.db2.gz HDAMOHUVWAVKAV-KGLIPLIRSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969943262 613302174 /nfs/dbraw/zinc/30/21/74/613302174.db2.gz CYLGISOAEOTUDC-VNHYZAJKSA-N 2 1 295.427 0.718 20 30 CCEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969943262 613302176 /nfs/dbraw/zinc/30/21/76/613302176.db2.gz CYLGISOAEOTUDC-VNHYZAJKSA-N 2 1 295.427 0.718 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000899970166 613364069 /nfs/dbraw/zinc/36/40/69/613364069.db2.gz RNAPAIRAMRXPMF-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000908199587 613364218 /nfs/dbraw/zinc/36/42/18/613364218.db2.gz GPGOQGAMPAXOIH-UONOGXRCSA-N 2 1 281.400 0.162 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000847947170 613366068 /nfs/dbraw/zinc/36/60/68/613366068.db2.gz PYWIBRMBFGOXRT-UHFFFAOYSA-N 2 1 263.345 0.176 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874830360 613366258 /nfs/dbraw/zinc/36/62/58/613366258.db2.gz QWIIYTOJYUSQJQ-QWHCGFSZSA-N 2 1 251.374 0.799 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000841457095 613366350 /nfs/dbraw/zinc/36/63/50/613366350.db2.gz NSAKFFFUKNLSKC-QWHCGFSZSA-N 2 1 269.389 0.018 20 30 CCEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980894677 613494425 /nfs/dbraw/zinc/49/44/25/613494425.db2.gz YCBMJMLWVALVLH-AWEZNQCLSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980894677 613494428 /nfs/dbraw/zinc/49/44/28/613494428.db2.gz YCBMJMLWVALVLH-AWEZNQCLSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980894677 613494431 /nfs/dbraw/zinc/49/44/31/613494431.db2.gz YCBMJMLWVALVLH-AWEZNQCLSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980894677 613494435 /nfs/dbraw/zinc/49/44/35/613494435.db2.gz YCBMJMLWVALVLH-AWEZNQCLSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710628 613518615 /nfs/dbraw/zinc/51/86/15/613518615.db2.gz QYIDJMPBQYECNU-UTUOFQBUSA-N 2 1 251.330 0.429 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000977901927 613560831 /nfs/dbraw/zinc/56/08/31/613560831.db2.gz AGKJRTSTGOCJFJ-APIJFGDWSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977901927 613560834 /nfs/dbraw/zinc/56/08/34/613560834.db2.gz AGKJRTSTGOCJFJ-APIJFGDWSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977901927 613560835 /nfs/dbraw/zinc/56/08/35/613560835.db2.gz AGKJRTSTGOCJFJ-APIJFGDWSA-N 2 1 277.412 0.951 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962302071 613562110 /nfs/dbraw/zinc/56/21/10/613562110.db2.gz YWSGMMVTWCTGFD-WDNDVIMCSA-N 2 1 275.396 0.705 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905095677 613675814 /nfs/dbraw/zinc/67/58/14/613675814.db2.gz JYHHRJSFXWOYGC-LSDHHAIUSA-N 2 1 284.400 0.129 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000981960050 613694111 /nfs/dbraw/zinc/69/41/11/613694111.db2.gz RKTOPNBNHIINET-KGLIPLIRSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981960050 613694113 /nfs/dbraw/zinc/69/41/13/613694113.db2.gz RKTOPNBNHIINET-KGLIPLIRSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981960050 613694116 /nfs/dbraw/zinc/69/41/16/613694116.db2.gz RKTOPNBNHIINET-KGLIPLIRSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977588346 613827798 /nfs/dbraw/zinc/82/77/98/613827798.db2.gz NMMKBXJPHSTEAW-STQMWFEESA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977588346 613827800 /nfs/dbraw/zinc/82/78/00/613827800.db2.gz NMMKBXJPHSTEAW-STQMWFEESA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977588346 613827801 /nfs/dbraw/zinc/82/78/01/613827801.db2.gz NMMKBXJPHSTEAW-STQMWFEESA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430705 613853487 /nfs/dbraw/zinc/85/34/87/613853487.db2.gz FGFDLTJTTLPYTG-FRRDWIJNSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931430705 613853489 /nfs/dbraw/zinc/85/34/89/613853489.db2.gz FGFDLTJTTLPYTG-FRRDWIJNSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430705 613853491 /nfs/dbraw/zinc/85/34/91/613853491.db2.gz FGFDLTJTTLPYTG-FRRDWIJNSA-N 2 1 251.374 0.561 20 30 CCEDMP CCNC(NC[C@@]1([NH+](C)C)CCSC1)=[NH+]CC ZINC000849004116 614420998 /nfs/dbraw/zinc/42/09/98/614420998.db2.gz YXPAHHGZRZUERP-LBPRGKRZSA-N 2 1 258.435 0.999 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)OC(C)C ZINC000104158304 615131040 /nfs/dbraw/zinc/13/10/40/615131040.db2.gz IFHHKNORECXBNG-GFCCVEGCSA-N 2 1 284.404 0.717 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(NC[C@@H](O)C(F)(F)F)=[NH+]C ZINC000864236774 615131380 /nfs/dbraw/zinc/13/13/80/615131380.db2.gz VXRIZRKVQOMNKQ-NXEZZACHSA-N 2 1 296.337 0.559 20 30 CCEDMP CC[NH+]1CCN(C[C@H](C)CNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000848994364 615159833 /nfs/dbraw/zinc/15/98/33/615159833.db2.gz FHFIAXQPCDVNBC-CHWSQXEVSA-N 2 1 267.421 0.197 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000913524159 615859983 /nfs/dbraw/zinc/85/99/83/615859983.db2.gz BYLKHXNSMFCTDM-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C[N@@H+](CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)CC(C)(C)C ZINC000876801516 616048854 /nfs/dbraw/zinc/04/88/54/616048854.db2.gz DXSIKAPGSBEOOJ-GHMZBOCLSA-N 2 1 252.362 0.192 20 30 CCEDMP C[N@@H+](CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C1CC1 ZINC000876735265 616094552 /nfs/dbraw/zinc/09/45/52/616094552.db2.gz CDKSHWPJTYJOPE-MRXNPFEDSA-N 2 1 298.390 0.955 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001026046134 625325631 /nfs/dbraw/zinc/32/56/31/625325631.db2.gz VYSUIYYJMKBJNI-ZSAUSMIDSA-N 2 1 277.412 0.807 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026046134 625325632 /nfs/dbraw/zinc/32/56/32/625325632.db2.gz VYSUIYYJMKBJNI-ZSAUSMIDSA-N 2 1 277.412 0.807 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026046134 625325633 /nfs/dbraw/zinc/32/56/33/625325633.db2.gz VYSUIYYJMKBJNI-ZSAUSMIDSA-N 2 1 277.412 0.807 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]12 ZINC001026421298 625441270 /nfs/dbraw/zinc/44/12/70/625441270.db2.gz QYSYZMJHEBYGOC-RBSFLKMASA-N 2 1 286.379 0.651 20 30 CCEDMP C#CC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001026605983 625480891 /nfs/dbraw/zinc/48/08/91/625480891.db2.gz LNYJHLFDZJFEQB-UHFFFAOYSA-N 2 1 274.368 0.842 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022716817 622693951 /nfs/dbraw/zinc/69/39/51/622693951.db2.gz JCGNXJUOXORPKJ-IGQOVBAYSA-N 2 1 265.401 0.997 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023130379 622921662 /nfs/dbraw/zinc/92/16/62/622921662.db2.gz LFICWKXVMRFFEH-HZSPNIEDSA-N 2 1 263.385 0.731 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023292539 622988528 /nfs/dbraw/zinc/98/85/28/622988528.db2.gz WRLXQZYOKWHDBL-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023292539 622988539 /nfs/dbraw/zinc/98/85/39/622988539.db2.gz WRLXQZYOKWHDBL-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292539 622988541 /nfs/dbraw/zinc/98/85/41/622988541.db2.gz WRLXQZYOKWHDBL-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292539 622988545 /nfs/dbraw/zinc/98/85/45/622988545.db2.gz WRLXQZYOKWHDBL-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025797826 623884361 /nfs/dbraw/zinc/88/43/61/623884361.db2.gz WOKVKLDDAZYFJM-VQJWOFKYSA-N 2 1 291.395 0.082 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025797826 623884362 /nfs/dbraw/zinc/88/43/62/623884362.db2.gz WOKVKLDDAZYFJM-VQJWOFKYSA-N 2 1 291.395 0.082 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001019772659 623907394 /nfs/dbraw/zinc/90/73/94/623907394.db2.gz NVRSWODYUGOOPJ-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001020026613 623970332 /nfs/dbraw/zinc/97/03/32/623970332.db2.gz ZRBOJEPAWPEIBH-AVGNSLFASA-N 2 1 251.374 0.894 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304758863 624488406 /nfs/dbraw/zinc/48/84/06/624488406.db2.gz QOJFGGZLTBBBBH-LBPRGKRZSA-N 3 1 269.437 0.763 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020591150 624544654 /nfs/dbraw/zinc/54/46/54/624544654.db2.gz GAIAJCWICXAIQP-ZDEQEGDKSA-N 2 1 251.374 0.607 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001020925803 624625905 /nfs/dbraw/zinc/62/59/05/624625905.db2.gz YLPALVOVASWAST-JHJVBQTASA-N 2 1 251.374 0.751 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001022443377 624995390 /nfs/dbraw/zinc/99/53/90/624995390.db2.gz WTVNNBPIYMZQFO-BETUJISGSA-N 2 1 286.379 0.632 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001027435667 625881197 /nfs/dbraw/zinc/88/11/97/625881197.db2.gz IGOVDMDUDFNCFV-AWEZNQCLSA-N 2 1 274.368 0.898 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001027435667 625881198 /nfs/dbraw/zinc/88/11/98/625881198.db2.gz IGOVDMDUDFNCFV-AWEZNQCLSA-N 2 1 274.368 0.898 20 30 CCEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001027805710 630936009 /nfs/dbraw/zinc/93/60/09/630936009.db2.gz AVZYPRGAALNTBJ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027805710 630936014 /nfs/dbraw/zinc/93/60/14/630936014.db2.gz AVZYPRGAALNTBJ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027805710 630936021 /nfs/dbraw/zinc/93/60/21/630936021.db2.gz AVZYPRGAALNTBJ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027805710 630936025 /nfs/dbraw/zinc/93/60/25/630936025.db2.gz AVZYPRGAALNTBJ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027805710 630936029 /nfs/dbraw/zinc/93/60/29/630936029.db2.gz AVZYPRGAALNTBJ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCCNC(=[NH+]C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261759538 631574751 /nfs/dbraw/zinc/57/47/51/631574751.db2.gz ODBCOKSNSZEVHN-CQSZACIVSA-N 2 1 278.400 0.239 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000303897703 632493470 /nfs/dbraw/zinc/49/34/70/632493470.db2.gz QUTDZGFQXJWHHN-NEPJUHHUSA-N 2 1 256.394 0.658 20 30 CCEDMP CCNC(NC[C@@H](C)C[NH+]1CCOCC1)=[NH+]CC ZINC000304295424 632509546 /nfs/dbraw/zinc/50/95/46/632509546.db2.gz NGXGSNAJQRPYQX-GFCCVEGCSA-N 2 1 256.394 0.530 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC000987189540 632838075 /nfs/dbraw/zinc/83/80/75/632838075.db2.gz GEIXLDIISMDZHW-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261995588 633113010 /nfs/dbraw/zinc/11/30/10/633113010.db2.gz SHUBOGLTZUPYSY-GXTWGEPZSA-N 2 1 294.443 0.939 20 30 CCEDMP C#CCN1CCCN(C(=O)[C@H](C)CN2CCOCC2)CC1 ZINC000989673726 633343706 /nfs/dbraw/zinc/34/37/06/633343706.db2.gz UYFPWKWUDOPNRW-OAHLLOKOSA-N 2 1 293.411 0.122 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)Cc3cncn3C)CCC[C@H]12 ZINC000992415486 637397735 /nfs/dbraw/zinc/39/77/35/637397735.db2.gz ARNLHWBCFOVULM-GOEBONIOSA-N 2 1 286.379 0.709 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC000996640753 638825936 /nfs/dbraw/zinc/82/59/36/638825936.db2.gz BRODTBHTFBNJPY-UONOGXRCSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC000996640753 638825937 /nfs/dbraw/zinc/82/59/37/638825937.db2.gz BRODTBHTFBNJPY-UONOGXRCSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997421032 638867436 /nfs/dbraw/zinc/86/74/36/638867436.db2.gz MSKZHDJXCWIHBH-UKRRQHHQSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014495154 650456800 /nfs/dbraw/zinc/45/68/00/650456800.db2.gz RATHNOWFPQIQTK-JHJVBQTASA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014495154 650456801 /nfs/dbraw/zinc/45/68/01/650456801.db2.gz RATHNOWFPQIQTK-JHJVBQTASA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014495154 650456803 /nfs/dbraw/zinc/45/68/03/650456803.db2.gz RATHNOWFPQIQTK-JHJVBQTASA-N 2 1 251.374 0.703 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC000999400820 638978642 /nfs/dbraw/zinc/97/86/42/638978642.db2.gz WEKDRRGCCJURGO-CABCVRRESA-N 2 1 273.380 0.298 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC000999400820 638978643 /nfs/dbraw/zinc/97/86/43/638978643.db2.gz WEKDRRGCCJURGO-CABCVRRESA-N 2 1 273.380 0.298 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001014628988 650469416 /nfs/dbraw/zinc/46/94/16/650469416.db2.gz KGWTYLCQYMLGJT-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001014628988 650469417 /nfs/dbraw/zinc/46/94/17/650469417.db2.gz KGWTYLCQYMLGJT-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001014628988 650469419 /nfs/dbraw/zinc/46/94/19/650469419.db2.gz KGWTYLCQYMLGJT-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001014628988 650469421 /nfs/dbraw/zinc/46/94/21/650469421.db2.gz KGWTYLCQYMLGJT-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001145796 639245348 /nfs/dbraw/zinc/24/53/48/639245348.db2.gz VSFGIKXNUSGKRL-HIFRSBDPSA-N 2 1 275.396 0.566 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001145796 639245352 /nfs/dbraw/zinc/24/53/52/639245352.db2.gz VSFGIKXNUSGKRL-HIFRSBDPSA-N 2 1 275.396 0.566 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001145796 639245358 /nfs/dbraw/zinc/24/53/58/639245358.db2.gz VSFGIKXNUSGKRL-HIFRSBDPSA-N 2 1 275.396 0.566 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001014728069 650482286 /nfs/dbraw/zinc/48/22/86/650482286.db2.gz KPGFMKIJOLUIFZ-UONOGXRCSA-N 2 1 286.379 0.974 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001014728069 650482292 /nfs/dbraw/zinc/48/22/92/650482292.db2.gz KPGFMKIJOLUIFZ-UONOGXRCSA-N 2 1 286.379 0.974 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001014728067 650482431 /nfs/dbraw/zinc/48/24/31/650482431.db2.gz KPGFMKIJOLUIFZ-KBPBESRZSA-N 2 1 286.379 0.974 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001014728067 650482434 /nfs/dbraw/zinc/48/24/34/650482434.db2.gz KPGFMKIJOLUIFZ-KBPBESRZSA-N 2 1 286.379 0.974 20 30 CCEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001001278486 639274079 /nfs/dbraw/zinc/27/40/79/639274079.db2.gz LQPUYGARYWEJDW-CQSZACIVSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001001278486 639274087 /nfs/dbraw/zinc/27/40/87/639274087.db2.gz LQPUYGARYWEJDW-CQSZACIVSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001527366 639313319 /nfs/dbraw/zinc/31/33/19/639313319.db2.gz LCSOFXIGQKNJQY-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001527366 639313326 /nfs/dbraw/zinc/31/33/26/639313326.db2.gz LCSOFXIGQKNJQY-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015599685 650589013 /nfs/dbraw/zinc/58/90/13/650589013.db2.gz UHULZEBTRWUANH-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015599685 650589015 /nfs/dbraw/zinc/58/90/15/650589015.db2.gz UHULZEBTRWUANH-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015599685 650589016 /nfs/dbraw/zinc/58/90/16/650589016.db2.gz UHULZEBTRWUANH-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015599685 650589018 /nfs/dbraw/zinc/58/90/18/650589018.db2.gz UHULZEBTRWUANH-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C[C@H](C#N)OCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000801935745 640677754 /nfs/dbraw/zinc/67/77/54/640677754.db2.gz CUJJDBMHMOFZKZ-CQSZACIVSA-N 2 1 282.432 0.873 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016251535 650705825 /nfs/dbraw/zinc/70/58/25/650705825.db2.gz VPXQOMOGPZVPFY-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016251535 650705827 /nfs/dbraw/zinc/70/58/27/650705827.db2.gz VPXQOMOGPZVPFY-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016251535 650705830 /nfs/dbraw/zinc/70/58/30/650705830.db2.gz VPXQOMOGPZVPFY-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001016553848 650744179 /nfs/dbraw/zinc/74/41/79/650744179.db2.gz TYFXEAKLYSFLAP-KGLIPLIRSA-N 2 1 293.411 0.474 20 30 CCEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001016553848 650744181 /nfs/dbraw/zinc/74/41/81/650744181.db2.gz TYFXEAKLYSFLAP-KGLIPLIRSA-N 2 1 293.411 0.474 20 30 CCEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000852875338 644036158 /nfs/dbraw/zinc/03/61/58/644036158.db2.gz IKTFRJATJQSAEQ-VSYUYLJXSA-N 2 1 280.278 0.192 20 30 CCEDMP C[C@@]1(F)C[NH2+]CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852881112 644040698 /nfs/dbraw/zinc/04/06/98/644040698.db2.gz HTXREHJRIHVLLY-CQSZACIVSA-N 2 1 267.348 0.149 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC)C1 ZINC001018984741 650925505 /nfs/dbraw/zinc/92/55/05/650925505.db2.gz CQKHHCSWXDLNPD-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC)C1 ZINC001018984741 650925508 /nfs/dbraw/zinc/92/55/08/650925508.db2.gz CQKHHCSWXDLNPD-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001019285101 650956910 /nfs/dbraw/zinc/95/69/10/650956910.db2.gz AMIZTJNYKXSURU-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001019285101 650956911 /nfs/dbraw/zinc/95/69/11/650956911.db2.gz AMIZTJNYKXSURU-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001019381447 650967638 /nfs/dbraw/zinc/96/76/38/650967638.db2.gz JMEBYIMNRSSZRA-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001019383741 650967978 /nfs/dbraw/zinc/96/79/78/650967978.db2.gz LUYGJNFJXIDIAM-KGLIPLIRSA-N 2 1 286.379 0.578 20 30 CCEDMP C[C@H]1CC[N@@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884227473 647671660 /nfs/dbraw/zinc/67/16/60/647671660.db2.gz QHQXRXIJJZVXAQ-REWIBIJMSA-N 2 1 290.411 0.584 20 30 CCEDMP CC#CCN1CCC(N(C)C(=O)Cn2ccnc2)CC1 ZINC001006475226 649533549 /nfs/dbraw/zinc/53/35/49/649533549.db2.gz LBCKTBJPFTWBAJ-UHFFFAOYSA-N 2 1 274.368 0.829 20 30 CCEDMP CC[NH+](CC)CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303708087 649823990 /nfs/dbraw/zinc/82/39/90/649823990.db2.gz MSTTXLOROIXTMW-ZDUSSCGKSA-N 3 1 269.437 0.717 20 30 CCEDMP CCN(CC)CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303708087 649823991 /nfs/dbraw/zinc/82/39/91/649823991.db2.gz MSTTXLOROIXTMW-ZDUSSCGKSA-N 2 1 269.437 0.717 20 30 CCEDMP CCN(CC)CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303708087 649823992 /nfs/dbraw/zinc/82/39/92/649823992.db2.gz MSTTXLOROIXTMW-ZDUSSCGKSA-N 2 1 269.437 0.717 20 30 CCEDMP CCN(CC)C(=[NH2+])NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303781432 649825118 /nfs/dbraw/zinc/82/51/18/649825118.db2.gz MFLKAMHJGZGRSF-ZDUSSCGKSA-N 2 1 270.421 1.000 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OC)c1 ZINC000303792341 649825393 /nfs/dbraw/zinc/82/53/93/649825393.db2.gz YKBKPGXJDDWCNA-CYBMUJFWSA-N 2 1 291.399 0.979 20 30 CCEDMP CCCNC(=O)CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303865562 649825821 /nfs/dbraw/zinc/82/58/21/649825821.db2.gz BQBOGYQOWZQUFY-GFCCVEGCSA-N 2 1 283.420 0.291 20 30 CCEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])NCC2CCC2)CC1 ZINC000303877566 649826154 /nfs/dbraw/zinc/82/61/54/649826154.db2.gz IROQAHJIEWIQFM-CQSZACIVSA-N 2 1 295.475 0.964 20 30 CCEDMP CCOCCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303905315 649826911 /nfs/dbraw/zinc/82/69/11/649826911.db2.gz VKYNFCUQJFARIL-UHFFFAOYSA-N 2 1 286.420 0.430 20 30 CCEDMP CC(C)CNC(=[NH2+])NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303972480 649827581 /nfs/dbraw/zinc/82/75/81/649827581.db2.gz FUACXNUTKDAGRJ-CYBMUJFWSA-N 2 1 297.447 0.489 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)OC ZINC000304745617 649838315 /nfs/dbraw/zinc/83/83/15/649838315.db2.gz FGXYKGVTOWDHRA-LLVKDONJSA-N 2 1 256.394 0.800 20 30 CCEDMP C=CC[NH+]1CCN(c2ncc(C)c(C3C[NH2+]C3)n2)CC1 ZINC001165035970 721873955 /nfs/dbraw/zinc/87/39/55/721873955.db2.gz YSNFPOFGXYHSQO-UHFFFAOYSA-N 2 1 273.384 0.780 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC[C@H](C)F ZINC001266284355 790402846 /nfs/dbraw/zinc/40/28/46/790402846.db2.gz BTPCYUUVIXDGBG-KBPBESRZSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC[C@H](C)F ZINC001266284355 790402856 /nfs/dbraw/zinc/40/28/56/790402856.db2.gz BTPCYUUVIXDGBG-KBPBESRZSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC[C@H](C)F ZINC001266284355 790402860 /nfs/dbraw/zinc/40/28/60/790402860.db2.gz BTPCYUUVIXDGBG-KBPBESRZSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC[C@H](C)F ZINC001266284355 790402865 /nfs/dbraw/zinc/40/28/65/790402865.db2.gz BTPCYUUVIXDGBG-KBPBESRZSA-N 2 1 283.391 0.880 20 30 CCEDMP C=CCOCC[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266321923 790503036 /nfs/dbraw/zinc/50/30/36/790503036.db2.gz ZRRDRJYTRACFGR-UHFFFAOYSA-N 2 1 283.416 0.579 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266380219 790615385 /nfs/dbraw/zinc/61/53/85/790615385.db2.gz JBYIGURRHDUZIU-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001266380219 790615393 /nfs/dbraw/zinc/61/53/93/790615393.db2.gz JBYIGURRHDUZIU-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001266437805 790702471 /nfs/dbraw/zinc/70/24/71/790702471.db2.gz MPBQELZOHDEPHP-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266437805 790702477 /nfs/dbraw/zinc/70/24/77/790702477.db2.gz MPBQELZOHDEPHP-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266437805 790702484 /nfs/dbraw/zinc/70/24/84/790702484.db2.gz MPBQELZOHDEPHP-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[NH+](CC)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001266437805 790702490 /nfs/dbraw/zinc/70/24/90/790702490.db2.gz MPBQELZOHDEPHP-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001266437805 790702497 /nfs/dbraw/zinc/70/24/97/790702497.db2.gz MPBQELZOHDEPHP-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266487137 790781249 /nfs/dbraw/zinc/78/12/49/790781249.db2.gz UQBKJEVYGAUVMI-OAHLLOKOSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266487137 790781251 /nfs/dbraw/zinc/78/12/51/790781251.db2.gz UQBKJEVYGAUVMI-OAHLLOKOSA-N 2 1 293.411 0.313 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266548582 790910311 /nfs/dbraw/zinc/91/03/11/790910311.db2.gz CREWZCJCPJUAOI-CABCVRRESA-N 2 1 295.427 0.579 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266548582 790910320 /nfs/dbraw/zinc/91/03/20/790910320.db2.gz CREWZCJCPJUAOI-CABCVRRESA-N 2 1 295.427 0.579 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266548582 790910329 /nfs/dbraw/zinc/91/03/29/790910329.db2.gz CREWZCJCPJUAOI-CABCVRRESA-N 2 1 295.427 0.579 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001266995797 791428963 /nfs/dbraw/zinc/42/89/63/791428963.db2.gz YZLKUUPGVIKXBY-NSHDSACASA-N 2 1 250.346 0.862 20 30 CCEDMP N#Cc1ccc(F)cc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234992920 806339260 /nfs/dbraw/zinc/33/92/60/806339260.db2.gz UBWJPQYLDNQDIK-OAHLLOKOSA-N 2 1 274.343 0.835 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001277978954 806543984 /nfs/dbraw/zinc/54/39/84/806543984.db2.gz NGJBAYPZYRZVOQ-AWEZNQCLSA-N 2 1 283.416 0.415 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001120591016 798880208 /nfs/dbraw/zinc/88/02/08/798880208.db2.gz STBNWYVKKLPLLC-OAHLLOKOSA-N 2 1 277.412 0.838 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149850072 800302315 /nfs/dbraw/zinc/30/23/15/800302315.db2.gz YJEOWZWEVYRQIJ-LSDHHAIUSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149850072 800302318 /nfs/dbraw/zinc/30/23/18/800302318.db2.gz YJEOWZWEVYRQIJ-LSDHHAIUSA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150219231 800325185 /nfs/dbraw/zinc/32/51/85/800325185.db2.gz MMSVRZGEOARAAF-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001150319101 800330941 /nfs/dbraw/zinc/33/09/41/800330941.db2.gz XWCOZCCXKIWLQH-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001150319101 800330947 /nfs/dbraw/zinc/33/09/47/800330947.db2.gz XWCOZCCXKIWLQH-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001150319101 800330951 /nfs/dbraw/zinc/33/09/51/800330951.db2.gz XWCOZCCXKIWLQH-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001150319101 800330959 /nfs/dbraw/zinc/33/09/59/800330959.db2.gz XWCOZCCXKIWLQH-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001154838157 800855329 /nfs/dbraw/zinc/85/53/29/800855329.db2.gz QMEIQIZZKONVAW-HUUCEWRRSA-N 2 1 295.427 0.555 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001154838157 800855335 /nfs/dbraw/zinc/85/53/35/800855335.db2.gz QMEIQIZZKONVAW-HUUCEWRRSA-N 2 1 295.427 0.555 20 30 CCEDMP Cc1nc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)cnc1C#N ZINC001155376440 800961673 /nfs/dbraw/zinc/96/16/73/800961673.db2.gz NBQLUJQHGAXQLD-CYBMUJFWSA-N 2 1 286.383 0.516 20 30 CCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155789186 801050402 /nfs/dbraw/zinc/05/04/02/801050402.db2.gz AYDNKJATIFKHEH-LLVKDONJSA-N 2 1 259.781 0.929 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927322 801265473 /nfs/dbraw/zinc/26/54/73/801265473.db2.gz LRFLCWHAWDZLGJ-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157899325 801512421 /nfs/dbraw/zinc/51/24/21/801512421.db2.gz PGEGLYPZDWEBRI-CQSZACIVSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486811 801658426 /nfs/dbraw/zinc/65/84/26/801658426.db2.gz RUYATQJHXURCAF-OLZOCXBDSA-N 2 1 267.373 0.132 20 30 CCEDMP N#Cc1c[nH]c2cc[nH+]c(NCCOCCOCC[NH3+])c12 ZINC001159445112 801808357 /nfs/dbraw/zinc/80/83/57/801808357.db2.gz FVLAQNODEKHYBH-UHFFFAOYSA-N 2 1 289.339 0.838 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC=C ZINC001160209792 801920008 /nfs/dbraw/zinc/92/00/08/801920008.db2.gz WXZDGDQUGXFBGL-AWEZNQCLSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC=C ZINC001160209792 801920014 /nfs/dbraw/zinc/92/00/14/801920014.db2.gz WXZDGDQUGXFBGL-AWEZNQCLSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161551205 802178126 /nfs/dbraw/zinc/17/81/26/802178126.db2.gz BDWDEJISWXMSTR-UHFFFAOYSA-N 2 1 278.356 0.469 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161559082 802183199 /nfs/dbraw/zinc/18/31/99/802183199.db2.gz XWPREYSSDVKNOP-UHFFFAOYSA-N 2 1 264.329 0.079 20 30 CCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163939492 802637118 /nfs/dbraw/zinc/63/71/18/802637118.db2.gz BBDJGTVWQFBCMV-CQSZACIVSA-N 2 1 293.411 0.216 20 30 CCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163939492 802637120 /nfs/dbraw/zinc/63/71/20/802637120.db2.gz BBDJGTVWQFBCMV-CQSZACIVSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001264733961 809674423 /nfs/dbraw/zinc/67/44/23/809674423.db2.gz VWOOFDPMHIAHCE-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001264733961 809674426 /nfs/dbraw/zinc/67/44/26/809674426.db2.gz VWOOFDPMHIAHCE-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001264733961 809674430 /nfs/dbraw/zinc/67/44/30/809674430.db2.gz VWOOFDPMHIAHCE-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166694068 802941087 /nfs/dbraw/zinc/94/10/87/802941087.db2.gz VCXZQDODDXYWTO-QWHCGFSZSA-N 2 1 253.390 0.856 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cn1 ZINC001205229806 803127397 /nfs/dbraw/zinc/12/73/97/803127397.db2.gz PJPJCPLPALSUGA-AWEZNQCLSA-N 2 1 260.341 0.629 20 30 CCEDMP N#Cc1cncc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205228364 803128028 /nfs/dbraw/zinc/12/80/28/803128028.db2.gz DOZYYBATJJNWMI-CQSZACIVSA-N 2 1 260.341 0.629 20 30 CCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001206929226 803310167 /nfs/dbraw/zinc/31/01/67/803310167.db2.gz ZVPJUQLQJLVMOA-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070156 803485550 /nfs/dbraw/zinc/48/55/50/803485550.db2.gz FIGRFHXVEHIYOD-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001208356368 803508961 /nfs/dbraw/zinc/50/89/61/803508961.db2.gz PIQNXFIJGCJRLK-GJZGRUSLSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001208356368 803508963 /nfs/dbraw/zinc/50/89/63/803508963.db2.gz PIQNXFIJGCJRLK-GJZGRUSLSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210420657 803649859 /nfs/dbraw/zinc/64/98/59/803649859.db2.gz GNYSMYKIFCEXCF-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001210493708 803652245 /nfs/dbraw/zinc/65/22/45/803652245.db2.gz NZPSSPVTNIQJHV-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446876 803695611 /nfs/dbraw/zinc/69/56/11/803695611.db2.gz XGHVKESSKCRCOJ-ZIAGYGMSSA-N 2 1 297.443 0.966 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446876 803695614 /nfs/dbraw/zinc/69/56/14/803695614.db2.gz XGHVKESSKCRCOJ-ZIAGYGMSSA-N 2 1 297.443 0.966 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446876 803695616 /nfs/dbraw/zinc/69/56/16/803695616.db2.gz XGHVKESSKCRCOJ-ZIAGYGMSSA-N 2 1 297.443 0.966 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446876 803695619 /nfs/dbraw/zinc/69/56/19/803695619.db2.gz XGHVKESSKCRCOJ-ZIAGYGMSSA-N 2 1 297.443 0.966 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927498 803706773 /nfs/dbraw/zinc/70/67/73/803706773.db2.gz MURPGRVOUBTWAU-ZIAGYGMSSA-N 2 1 283.416 0.718 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927498 803706779 /nfs/dbraw/zinc/70/67/79/803706779.db2.gz MURPGRVOUBTWAU-ZIAGYGMSSA-N 2 1 283.416 0.718 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927498 803706780 /nfs/dbraw/zinc/70/67/80/803706780.db2.gz MURPGRVOUBTWAU-ZIAGYGMSSA-N 2 1 283.416 0.718 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927498 803706786 /nfs/dbraw/zinc/70/67/86/803706786.db2.gz MURPGRVOUBTWAU-ZIAGYGMSSA-N 2 1 283.416 0.718 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335935 803735094 /nfs/dbraw/zinc/73/50/94/803735094.db2.gz ODAWGTHFLQIQPZ-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219845550 804431278 /nfs/dbraw/zinc/43/12/78/804431278.db2.gz MOKBTOMMPLOJSL-ILXRZTDVSA-N 2 1 297.443 0.700 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221922024 804855241 /nfs/dbraw/zinc/85/52/41/804855241.db2.gz WGUVSBAUGBKURK-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221922024 804855247 /nfs/dbraw/zinc/85/52/47/804855247.db2.gz WGUVSBAUGBKURK-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221922024 804855256 /nfs/dbraw/zinc/85/52/56/804855256.db2.gz WGUVSBAUGBKURK-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222053730 804860438 /nfs/dbraw/zinc/86/04/38/804860438.db2.gz ZYUMTGRAFGJBQJ-HUUCEWRRSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222053730 804860441 /nfs/dbraw/zinc/86/04/41/804860441.db2.gz ZYUMTGRAFGJBQJ-HUUCEWRRSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222053730 804860446 /nfs/dbraw/zinc/86/04/46/804860446.db2.gz ZYUMTGRAFGJBQJ-HUUCEWRRSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246021448 807119901 /nfs/dbraw/zinc/11/99/01/807119901.db2.gz MOXLXMJVUCQPAI-KGLIPLIRSA-N 2 1 254.374 0.448 20 30 CCEDMP C[C@@H]1C[N@H+]([C@H]2CCN[C@H](C#N)C2)CCC[C@H]1C[NH3+] ZINC001246563933 807291936 /nfs/dbraw/zinc/29/19/36/807291936.db2.gz WCXVQEFNUGWSTO-RFGFWPKPSA-N 2 1 250.390 0.937 20 30 CCEDMP C=CCOC[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001252470376 807881458 /nfs/dbraw/zinc/88/14/58/807881458.db2.gz KITXKWORDZMIMB-KBPBESRZSA-N 2 1 254.374 0.578 20 30 CCEDMP C=CCOC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001252470376 807881467 /nfs/dbraw/zinc/88/14/67/807881467.db2.gz KITXKWORDZMIMB-KBPBESRZSA-N 2 1 254.374 0.578 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001252470376 807881473 /nfs/dbraw/zinc/88/14/73/807881473.db2.gz KITXKWORDZMIMB-KBPBESRZSA-N 2 1 254.374 0.578 20 30 CCEDMP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001278737970 808127363 /nfs/dbraw/zinc/12/73/63/808127363.db2.gz XJRBBMXOKKSJBW-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001278833907 808307665 /nfs/dbraw/zinc/30/76/65/808307665.db2.gz YLNZIPIXPNTXSB-UONOGXRCSA-N 2 1 283.416 0.313 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC001263101333 809444297 /nfs/dbraw/zinc/44/42/97/809444297.db2.gz PIOHRRFUKBBGOP-LSDHHAIUSA-N 2 1 295.427 0.462 20 30 CCEDMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C#CC3CC[NH2+]CC3)[C@H]2C1 ZINC001263318698 809509151 /nfs/dbraw/zinc/50/91/51/809509151.db2.gz RTKIKOVROYCUNR-SOUVJXGZSA-N 2 1 275.396 0.446 20 30 CCEDMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C#CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001263318697 809509177 /nfs/dbraw/zinc/50/91/77/809509177.db2.gz RTKIKOVROYCUNR-RRFJBIMHSA-N 2 1 275.396 0.446 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263809286 809573610 /nfs/dbraw/zinc/57/36/10/809573610.db2.gz JXUINJMJYXNBSZ-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP CC#CCN1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001076462566 815299741 /nfs/dbraw/zinc/29/97/41/815299741.db2.gz ZYWQBSTYBIWMFP-DZGCQCFKSA-N 2 1 286.379 0.519 20 30 CCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001264635817 809668565 /nfs/dbraw/zinc/66/85/65/809668565.db2.gz JBFMCHXGJUWQBO-HNNXBMFYSA-N 2 1 295.427 0.554 20 30 CCEDMP C#CC[N@@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001266101095 809936098 /nfs/dbraw/zinc/93/60/98/809936098.db2.gz SSIPYNHRYHXGDB-UHFFFAOYSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001266174587 809954164 /nfs/dbraw/zinc/95/41/64/809954164.db2.gz MYEWEHXAIMLWTR-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001266174587 809954169 /nfs/dbraw/zinc/95/41/69/809954169.db2.gz MYEWEHXAIMLWTR-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001266174587 809954175 /nfs/dbraw/zinc/95/41/75/809954175.db2.gz MYEWEHXAIMLWTR-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267303154 811122787 /nfs/dbraw/zinc/12/27/87/811122787.db2.gz KVOLDPFIWWWZEH-KBPBESRZSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267303154 811122791 /nfs/dbraw/zinc/12/27/91/811122791.db2.gz KVOLDPFIWWWZEH-KBPBESRZSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267303154 811122798 /nfs/dbraw/zinc/12/27/98/811122798.db2.gz KVOLDPFIWWWZEH-KBPBESRZSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001167737563 811769434 /nfs/dbraw/zinc/76/94/34/811769434.db2.gz VHDYAOPDZSMFHG-CQSZACIVSA-N 2 1 277.412 0.838 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001268033645 812052394 /nfs/dbraw/zinc/05/23/94/812052394.db2.gz WUVAHEJBGRJQRI-ZDUSSCGKSA-N 2 1 263.385 0.732 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268099734 812257239 /nfs/dbraw/zinc/25/72/39/812257239.db2.gz HPCSDQKTUPMAPP-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001268113883 812273650 /nfs/dbraw/zinc/27/36/50/812273650.db2.gz CMXJCGKQONQPOA-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001268113883 812273657 /nfs/dbraw/zinc/27/36/57/812273657.db2.gz CMXJCGKQONQPOA-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001268183576 812350415 /nfs/dbraw/zinc/35/04/15/812350415.db2.gz KFEDPHVPRFWZSZ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001268183576 812350422 /nfs/dbraw/zinc/35/04/22/812350422.db2.gz KFEDPHVPRFWZSZ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001268183576 812350429 /nfs/dbraw/zinc/35/04/29/812350429.db2.gz KFEDPHVPRFWZSZ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001268183576 812350437 /nfs/dbraw/zinc/35/04/37/812350437.db2.gz KFEDPHVPRFWZSZ-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP N#Cc1cnc(NC(=[NH2+])NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC001167878972 812385096 /nfs/dbraw/zinc/38/50/96/812385096.db2.gz VODQKNZCBUXVFG-UHFFFAOYSA-N 2 1 277.288 0.537 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001268227300 812385736 /nfs/dbraw/zinc/38/57/36/812385736.db2.gz SEEWPUNDZBNYAP-CYBMUJFWSA-N 2 1 262.357 0.555 20 30 CCEDMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268237377 812401984 /nfs/dbraw/zinc/40/19/84/812401984.db2.gz OBMSXLFXLGAHQE-CHWSQXEVSA-N 2 1 253.390 0.903 20 30 CCEDMP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268237377 812401989 /nfs/dbraw/zinc/40/19/89/812401989.db2.gz OBMSXLFXLGAHQE-CHWSQXEVSA-N 2 1 253.390 0.903 20 30 CCEDMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268237377 812401996 /nfs/dbraw/zinc/40/19/96/812401996.db2.gz OBMSXLFXLGAHQE-CHWSQXEVSA-N 2 1 253.390 0.903 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001268278542 812441157 /nfs/dbraw/zinc/44/11/57/812441157.db2.gz GBFFZKIOYXADAH-ZIAGYGMSSA-N 2 1 274.368 0.699 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001268324100 812487685 /nfs/dbraw/zinc/48/76/85/812487685.db2.gz LVWPATUDJLEDAP-GFCCVEGCSA-N 2 1 280.372 0.259 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447762 812710680 /nfs/dbraw/zinc/71/06/80/812710680.db2.gz TUNFRFHGSKKOLE-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447762 812710685 /nfs/dbraw/zinc/71/06/85/812710685.db2.gz TUNFRFHGSKKOLE-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@H](C)F ZINC001268689812 813011602 /nfs/dbraw/zinc/01/16/02/813011602.db2.gz CEYCCMAHRWCZMA-IHRRRGAJSA-N 2 1 283.391 0.926 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC[C@H](C)F ZINC001268689812 813011607 /nfs/dbraw/zinc/01/16/07/813011607.db2.gz CEYCCMAHRWCZMA-IHRRRGAJSA-N 2 1 283.391 0.926 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268751248 813061793 /nfs/dbraw/zinc/06/17/93/813061793.db2.gz KNBQVJONSHNUSU-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001269867186 813537343 /nfs/dbraw/zinc/53/73/43/813537343.db2.gz UFVSSXUJMSEECS-UHFFFAOYSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001269867186 813537348 /nfs/dbraw/zinc/53/73/48/813537348.db2.gz UFVSSXUJMSEECS-UHFFFAOYSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001269970461 813571800 /nfs/dbraw/zinc/57/18/00/813571800.db2.gz CVGHMFDYWUMDPL-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001269970458 813571811 /nfs/dbraw/zinc/57/18/11/813571811.db2.gz CVGHMFDYWUMDPL-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028985355 813725058 /nfs/dbraw/zinc/72/50/58/813725058.db2.gz KKQJPELMQZQSCW-ZIAGYGMSSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028985355 813725062 /nfs/dbraw/zinc/72/50/62/813725062.db2.gz KKQJPELMQZQSCW-ZIAGYGMSSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028985355 813725067 /nfs/dbraw/zinc/72/50/67/813725067.db2.gz KKQJPELMQZQSCW-ZIAGYGMSSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001087519231 814051332 /nfs/dbraw/zinc/05/13/32/814051332.db2.gz GJEVVMNZDPIEJS-MJBXVCDLSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001087519231 814051337 /nfs/dbraw/zinc/05/13/37/814051337.db2.gz GJEVVMNZDPIEJS-MJBXVCDLSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1CC ZINC001087519231 814051346 /nfs/dbraw/zinc/05/13/46/814051346.db2.gz GJEVVMNZDPIEJS-MJBXVCDLSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1CC ZINC001087519231 814051353 /nfs/dbraw/zinc/05/13/53/814051353.db2.gz GJEVVMNZDPIEJS-MJBXVCDLSA-N 2 1 263.385 0.683 20 30 CCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001271210748 814335920 /nfs/dbraw/zinc/33/59/20/814335920.db2.gz SVWGNPZEIGQPAE-HOCLYGCPSA-N 2 1 297.443 0.702 20 30 CCEDMP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001271548037 814474079 /nfs/dbraw/zinc/47/40/79/814474079.db2.gz AQNPSHFIGFMDKK-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001088286967 814574974 /nfs/dbraw/zinc/57/49/74/814574974.db2.gz MNWNPNCLEUVDCQ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001088286967 814574978 /nfs/dbraw/zinc/57/49/78/814574978.db2.gz MNWNPNCLEUVDCQ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)C[N@H+](C)CCC)C1 ZINC001100900000 814748336 /nfs/dbraw/zinc/74/83/36/814748336.db2.gz LDZUZZKXAJKRTF-UHFFFAOYSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CCN1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001088857432 816084455 /nfs/dbraw/zinc/08/44/55/816084455.db2.gz PBPZTNLUJCBKIK-MJBXVCDLSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001088857432 816084465 /nfs/dbraw/zinc/08/44/65/816084465.db2.gz PBPZTNLUJCBKIK-MJBXVCDLSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1C ZINC001088857432 816084469 /nfs/dbraw/zinc/08/44/69/816084469.db2.gz PBPZTNLUJCBKIK-MJBXVCDLSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1C ZINC001088857432 816084474 /nfs/dbraw/zinc/08/44/74/816084474.db2.gz PBPZTNLUJCBKIK-MJBXVCDLSA-N 2 1 263.385 0.683 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1C ZINC001088859603 816090371 /nfs/dbraw/zinc/09/03/71/816090371.db2.gz GWLMQKNGJPXUMU-ZNMIVQPWSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088859603 816090376 /nfs/dbraw/zinc/09/03/76/816090376.db2.gz GWLMQKNGJPXUMU-ZNMIVQPWSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088859603 816090381 /nfs/dbraw/zinc/09/03/81/816090381.db2.gz GWLMQKNGJPXUMU-ZNMIVQPWSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088984192 816203027 /nfs/dbraw/zinc/20/30/27/816203027.db2.gz MFKUCZSQCLHVNL-KGLIPLIRSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001031918351 817463704 /nfs/dbraw/zinc/46/37/04/817463704.db2.gz HHSYPWAPCCINJN-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001031918351 817463708 /nfs/dbraw/zinc/46/37/08/817463708.db2.gz HHSYPWAPCCINJN-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031925420 817469988 /nfs/dbraw/zinc/46/99/88/817469988.db2.gz IBCRIHBZHXHOQD-ZFWWWQNUSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031925420 817469996 /nfs/dbraw/zinc/46/99/96/817469996.db2.gz IBCRIHBZHXHOQD-ZFWWWQNUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001032207656 817703593 /nfs/dbraw/zinc/70/35/93/817703593.db2.gz XBCCBDHPJCXPKN-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001032207656 817703600 /nfs/dbraw/zinc/70/36/00/817703600.db2.gz XBCCBDHPJCXPKN-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785561 817868042 /nfs/dbraw/zinc/86/80/42/817868042.db2.gz NAPKZIBIXBKNDD-QWHCGFSZSA-N 2 1 267.373 0.132 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083832977 818529031 /nfs/dbraw/zinc/52/90/31/818529031.db2.gz DCGRTVHSXSKXCL-KGLIPLIRSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083832977 818529036 /nfs/dbraw/zinc/52/90/36/818529036.db2.gz DCGRTVHSXSKXCL-KGLIPLIRSA-N 2 1 281.400 0.066 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033229684 818664861 /nfs/dbraw/zinc/66/48/61/818664861.db2.gz VJWQOZBVGVEITE-AWEZNQCLSA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033229684 818664866 /nfs/dbraw/zinc/66/48/66/818664866.db2.gz VJWQOZBVGVEITE-AWEZNQCLSA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033471653 818783654 /nfs/dbraw/zinc/78/36/54/818783654.db2.gz NIQZHPHCILNUOZ-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033666826 818875377 /nfs/dbraw/zinc/87/53/77/818875377.db2.gz AQMIABDNJNBAHY-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033666826 818875384 /nfs/dbraw/zinc/87/53/84/818875384.db2.gz AQMIABDNJNBAHY-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033662223 818882710 /nfs/dbraw/zinc/88/27/10/818882710.db2.gz PAEOMQKAAQMWLW-STQMWFEESA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033662223 818882715 /nfs/dbraw/zinc/88/27/15/818882715.db2.gz PAEOMQKAAQMWLW-STQMWFEESA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033662223 818882721 /nfs/dbraw/zinc/88/27/21/818882721.db2.gz PAEOMQKAAQMWLW-STQMWFEESA-N 2 1 251.374 0.657 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034042812 819041087 /nfs/dbraw/zinc/04/10/87/819041087.db2.gz PYZXLPPLCQNPEQ-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034042812 819041092 /nfs/dbraw/zinc/04/10/92/819041092.db2.gz PYZXLPPLCQNPEQ-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034042812 819041095 /nfs/dbraw/zinc/04/10/95/819041095.db2.gz PYZXLPPLCQNPEQ-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528274 819229785 /nfs/dbraw/zinc/22/97/85/819229785.db2.gz LKHKFCKUSNJNNH-AWEZNQCLSA-N 2 1 263.385 0.686 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001035372758 819494070 /nfs/dbraw/zinc/49/40/70/819494070.db2.gz QPZNYYWGTRFQOB-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001035372758 819494075 /nfs/dbraw/zinc/49/40/75/819494075.db2.gz QPZNYYWGTRFQOB-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035372758 819494078 /nfs/dbraw/zinc/49/40/78/819494078.db2.gz QPZNYYWGTRFQOB-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035372758 819494082 /nfs/dbraw/zinc/49/40/82/819494082.db2.gz QPZNYYWGTRFQOB-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035851687 819632478 /nfs/dbraw/zinc/63/24/78/819632478.db2.gz IYOKDPMXZJSSMF-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001036292788 819719912 /nfs/dbraw/zinc/71/99/12/819719912.db2.gz FUAVKLTYZGEEFF-GXTWGEPZSA-N 2 1 274.368 0.651 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080934760 820657552 /nfs/dbraw/zinc/65/75/52/820657552.db2.gz AOGXUBDCHNFFQY-FRRDWIJNSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080934760 820657558 /nfs/dbraw/zinc/65/75/58/820657558.db2.gz AOGXUBDCHNFFQY-FRRDWIJNSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080934760 820657564 /nfs/dbraw/zinc/65/75/64/820657564.db2.gz AOGXUBDCHNFFQY-FRRDWIJNSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CCN1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082135148 820905464 /nfs/dbraw/zinc/90/54/64/820905464.db2.gz QPHQPRQCIMVIRT-BFHYXJOUSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082135148 820905469 /nfs/dbraw/zinc/90/54/69/820905469.db2.gz QPHQPRQCIMVIRT-BFHYXJOUSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082135148 820905477 /nfs/dbraw/zinc/90/54/77/820905477.db2.gz QPHQPRQCIMVIRT-BFHYXJOUSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082135148 820905489 /nfs/dbraw/zinc/90/54/89/820905489.db2.gz QPHQPRQCIMVIRT-BFHYXJOUSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082920287 821060311 /nfs/dbraw/zinc/06/03/11/821060311.db2.gz XVIVMEAUJDMXPC-JHJVBQTASA-N 2 1 251.374 0.561 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001084775918 821386531 /nfs/dbraw/zinc/38/65/31/821386531.db2.gz YZKRPWCFWUZYAP-TZMCWYRMSA-N 2 1 272.352 0.129 20 30 CCEDMP C#CCN1CC[C@@H]2CN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001084775918 821386541 /nfs/dbraw/zinc/38/65/41/821386541.db2.gz YZKRPWCFWUZYAP-TZMCWYRMSA-N 2 1 272.352 0.129 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001273365392 821978636 /nfs/dbraw/zinc/97/86/36/821978636.db2.gz GVKUMVQXAGLRDO-CQSZACIVSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108219595 821999701 /nfs/dbraw/zinc/99/97/01/821999701.db2.gz HAJJSDUWXQZIPT-HOCLYGCPSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108219595 821999707 /nfs/dbraw/zinc/99/97/07/821999707.db2.gz HAJJSDUWXQZIPT-HOCLYGCPSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100042070 822148789 /nfs/dbraw/zinc/14/87/89/822148789.db2.gz SPPNBSBIGHIOLZ-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129839436 837572534 /nfs/dbraw/zinc/57/25/34/837572534.db2.gz ACUFDRFBTQCYJS-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156373900 836432813 /nfs/dbraw/zinc/43/28/13/836432813.db2.gz DFXYSRASLIKLSW-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156373900 836432819 /nfs/dbraw/zinc/43/28/19/836432819.db2.gz DFXYSRASLIKLSW-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156373900 836432823 /nfs/dbraw/zinc/43/28/23/836432823.db2.gz DFXYSRASLIKLSW-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169983435 836627544 /nfs/dbraw/zinc/62/75/44/836627544.db2.gz UGAXAYNPHQEVEI-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169983435 836627542 /nfs/dbraw/zinc/62/75/42/836627542.db2.gz UGAXAYNPHQEVEI-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977642 836751418 /nfs/dbraw/zinc/75/14/18/836751418.db2.gz SNTQAAKQCMXVNX-RDBSUJKOSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098466706 837116131 /nfs/dbraw/zinc/11/61/31/837116131.db2.gz TVCUBSLDEQLMPR-UHFFFAOYSA-N 2 1 283.416 0.409 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130711102 837901497 /nfs/dbraw/zinc/90/14/97/837901497.db2.gz NKMWPWDWVVXUGB-OAHLLOKOSA-N 2 1 295.427 0.462 20 30 CCEDMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001131380220 838075097 /nfs/dbraw/zinc/07/50/97/838075097.db2.gz HWWZXGZAWDPXBJ-UHFFFAOYSA-N 2 1 297.362 0.969 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520513 838121336 /nfs/dbraw/zinc/12/13/36/838121336.db2.gz ZYXGBVSOXVKSQK-OWYJLGKBSA-N 2 1 279.384 0.132 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266312 838348743 /nfs/dbraw/zinc/34/87/43/838348743.db2.gz WPAYUGLTXNUTAA-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266312 838348751 /nfs/dbraw/zinc/34/87/51/838348751.db2.gz WPAYUGLTXNUTAA-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132367605 838373360 /nfs/dbraw/zinc/37/33/60/838373360.db2.gz DCORYDSJXFBMSJ-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135096022 839160706 /nfs/dbraw/zinc/16/07/06/839160706.db2.gz ZAVKAYTXHDGZLG-CABCVRRESA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001135975695 839489366 /nfs/dbraw/zinc/48/93/66/839489366.db2.gz ASYSGAFYZSALGG-OLZOCXBDSA-N 2 1 253.390 0.834 20 30 CCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001091372525 840193985 /nfs/dbraw/zinc/19/39/85/840193985.db2.gz PFCJRSSCXZNZJY-YMAMQOFZSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001091372525 840193991 /nfs/dbraw/zinc/19/39/91/840193991.db2.gz PFCJRSSCXZNZJY-YMAMQOFZSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146594779 840332402 /nfs/dbraw/zinc/33/24/02/840332402.db2.gz UTCVHGXPRKQCBJ-CHWSQXEVSA-N 2 1 253.390 0.833 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186367288 844544644 /nfs/dbraw/zinc/54/46/44/844544644.db2.gz SKGQFBMEWZCHNZ-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001147657907 840651080 /nfs/dbraw/zinc/65/10/80/840651080.db2.gz GZZWYRFQYGKVJL-CQSZACIVSA-N 2 1 295.402 0.834 20 30 CCEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086880527 840934694 /nfs/dbraw/zinc/93/46/94/840934694.db2.gz DKKGIDMSTJCTNZ-ZNMIVQPWSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086880527 840934700 /nfs/dbraw/zinc/93/47/00/840934700.db2.gz DKKGIDMSTJCTNZ-ZNMIVQPWSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093195137 841172397 /nfs/dbraw/zinc/17/23/97/841172397.db2.gz LBNVUWPLEGZWHC-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093195137 841172401 /nfs/dbraw/zinc/17/24/01/841172401.db2.gz LBNVUWPLEGZWHC-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093195137 841172403 /nfs/dbraw/zinc/17/24/03/841172403.db2.gz LBNVUWPLEGZWHC-RBSFLKMASA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036811351 841244377 /nfs/dbraw/zinc/24/43/77/841244377.db2.gz PJEPADWMDBORKW-CVEARBPZSA-N 2 1 289.423 0.884 20 30 CCEDMP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112955 841851300 /nfs/dbraw/zinc/85/13/00/841851300.db2.gz BBPCVSAZFXTIRC-WJTVCTBASA-N 2 1 267.373 0.827 20 30 CCEDMP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112955 841851308 /nfs/dbraw/zinc/85/13/08/841851308.db2.gz BBPCVSAZFXTIRC-WJTVCTBASA-N 2 1 267.373 0.827 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001176857227 842450376 /nfs/dbraw/zinc/45/03/76/842450376.db2.gz SYDXOHUEDUYZHR-OKILXGFUSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177088694 842503849 /nfs/dbraw/zinc/50/38/49/842503849.db2.gz MRBCMBGANLHHCW-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177088694 842503855 /nfs/dbraw/zinc/50/38/55/842503855.db2.gz MRBCMBGANLHHCW-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187091193 844649573 /nfs/dbraw/zinc/64/95/73/844649573.db2.gz HIXFMXHWBGCCPH-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192386066 845834326 /nfs/dbraw/zinc/83/43/26/845834326.db2.gz NBLZSTWUTLPFPU-KGLIPLIRSA-N 2 1 265.401 0.883 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193892575 846177243 /nfs/dbraw/zinc/17/72/43/846177243.db2.gz SUMHOIGHBRKCTJ-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193892575 846177251 /nfs/dbraw/zinc/17/72/51/846177251.db2.gz SUMHOIGHBRKCTJ-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193892575 846177260 /nfs/dbraw/zinc/17/72/60/846177260.db2.gz SUMHOIGHBRKCTJ-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002768 846196154 /nfs/dbraw/zinc/19/61/54/846196154.db2.gz YUELTDQJPBZHKI-HUUCEWRRSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002768 846196158 /nfs/dbraw/zinc/19/61/58/846196158.db2.gz YUELTDQJPBZHKI-HUUCEWRRSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002768 846196165 /nfs/dbraw/zinc/19/61/65/846196165.db2.gz YUELTDQJPBZHKI-HUUCEWRRSA-N 2 1 293.411 0.121 20 30 CCEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001753 846202270 /nfs/dbraw/zinc/20/22/70/846202270.db2.gz KDVPATGBVAMNQE-LSDHHAIUSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194001753 846202282 /nfs/dbraw/zinc/20/22/82/846202282.db2.gz KDVPATGBVAMNQE-LSDHHAIUSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001753 846202295 /nfs/dbraw/zinc/20/22/95/846202295.db2.gz KDVPATGBVAMNQE-LSDHHAIUSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001194126558 846217881 /nfs/dbraw/zinc/21/78/81/846217881.db2.gz DCKRAWDNGXGZJT-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001194126558 846217888 /nfs/dbraw/zinc/21/78/88/846217888.db2.gz DCKRAWDNGXGZJT-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001194126558 846217893 /nfs/dbraw/zinc/21/78/93/846217893.db2.gz DCKRAWDNGXGZJT-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001194126558 846217900 /nfs/dbraw/zinc/21/79/00/846217900.db2.gz DCKRAWDNGXGZJT-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677864 846595652 /nfs/dbraw/zinc/59/56/52/846595652.db2.gz VWFFCHYQVXNNJH-CHWSQXEVSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCC[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197833195 846970902 /nfs/dbraw/zinc/97/09/02/846970902.db2.gz UCFRVSBBXQHMQG-UHFFFAOYSA-N 2 1 283.416 0.675 20 30 CCEDMP C=C[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273881447 847726443 /nfs/dbraw/zinc/72/64/43/847726443.db2.gz NOUPOSFFUKRXQG-HIFRSBDPSA-N 2 1 281.400 0.162 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864367 847820348 /nfs/dbraw/zinc/82/03/48/847820348.db2.gz WEVGPOFVWXLBPH-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056813 847851875 /nfs/dbraw/zinc/85/18/75/847851875.db2.gz BWEOZOIFBQMAPK-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001274297863 848443986 /nfs/dbraw/zinc/44/39/86/848443986.db2.gz LLSSUTFXEUXYEZ-UONOGXRCSA-N 2 1 265.401 0.786 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001275144020 848650730 /nfs/dbraw/zinc/65/07/30/848650730.db2.gz SXJUGYZZRLWYHK-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001276002391 848887825 /nfs/dbraw/zinc/88/78/25/848887825.db2.gz KXNCBLBQCGJTIC-GJZGRUSLSA-N 2 1 297.443 0.967 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001276012007 848890676 /nfs/dbraw/zinc/89/06/76/848890676.db2.gz NPEAWPOGJKOKNM-CQSZACIVSA-N 2 1 283.416 0.413 20 30 CCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001276012007 848890684 /nfs/dbraw/zinc/89/06/84/848890684.db2.gz NPEAWPOGJKOKNM-CQSZACIVSA-N 2 1 283.416 0.413 20 30 CCEDMP COCC#CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001276012007 848890693 /nfs/dbraw/zinc/89/06/93/848890693.db2.gz NPEAWPOGJKOKNM-CQSZACIVSA-N 2 1 283.416 0.413 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114743131 849383626 /nfs/dbraw/zinc/38/36/26/849383626.db2.gz DBSASZNQHDFEGH-ITGUQSILSA-N 2 1 261.369 0.008 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038400827 849879302 /nfs/dbraw/zinc/87/93/02/849879302.db2.gz RMJYHMPOXMCWMN-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038400827 849879305 /nfs/dbraw/zinc/87/93/05/849879305.db2.gz RMJYHMPOXMCWMN-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038400827 849879309 /nfs/dbraw/zinc/87/93/09/849879309.db2.gz RMJYHMPOXMCWMN-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038400827 849879314 /nfs/dbraw/zinc/87/93/14/849879314.db2.gz RMJYHMPOXMCWMN-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046415790 851494790 /nfs/dbraw/zinc/49/47/90/851494790.db2.gz RYABYMHGBNIWSW-FMKPAKJESA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046415790 851494795 /nfs/dbraw/zinc/49/47/95/851494795.db2.gz RYABYMHGBNIWSW-FMKPAKJESA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046415790 851494800 /nfs/dbraw/zinc/49/48/00/851494800.db2.gz RYABYMHGBNIWSW-FMKPAKJESA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046415790 851494807 /nfs/dbraw/zinc/49/48/07/851494807.db2.gz RYABYMHGBNIWSW-FMKPAKJESA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046833248 851626299 /nfs/dbraw/zinc/62/62/99/851626299.db2.gz DXNMQWPHXQZFJV-GXTWGEPZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046833248 851626306 /nfs/dbraw/zinc/62/63/06/851626306.db2.gz DXNMQWPHXQZFJV-GXTWGEPZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046833248 851626311 /nfs/dbraw/zinc/62/63/11/851626311.db2.gz DXNMQWPHXQZFJV-GXTWGEPZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047458264 851770913 /nfs/dbraw/zinc/77/09/13/851770913.db2.gz ILZFAOUSLOSDRR-KBPBESRZSA-N 2 1 292.383 0.271 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047458264 851770921 /nfs/dbraw/zinc/77/09/21/851770921.db2.gz ILZFAOUSLOSDRR-KBPBESRZSA-N 2 1 292.383 0.271 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001048863234 852086837 /nfs/dbraw/zinc/08/68/37/852086837.db2.gz MIXWCCLKPKCFMV-OKILXGFUSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001048863234 852086847 /nfs/dbraw/zinc/08/68/47/852086847.db2.gz MIXWCCLKPKCFMV-OKILXGFUSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001048863234 852086854 /nfs/dbraw/zinc/08/68/54/852086854.db2.gz MIXWCCLKPKCFMV-OKILXGFUSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001048860180 852088068 /nfs/dbraw/zinc/08/80/68/852088068.db2.gz JTZMPWGDDAPVBI-GASCZTMLSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049058460 852149737 /nfs/dbraw/zinc/14/97/37/852149737.db2.gz YLIOSVIHFVZRKT-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049058460 852149740 /nfs/dbraw/zinc/14/97/40/852149740.db2.gz YLIOSVIHFVZRKT-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049058460 852149744 /nfs/dbraw/zinc/14/97/44/852149744.db2.gz YLIOSVIHFVZRKT-OAGGEKHMSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001096539957 852295723 /nfs/dbraw/zinc/29/57/23/852295723.db2.gz DDHQVGRSSXDZHY-XGUBFFRZSA-N 2 1 275.396 0.683 20 30 CCEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001096539957 852295729 /nfs/dbraw/zinc/29/57/29/852295729.db2.gz DDHQVGRSSXDZHY-XGUBFFRZSA-N 2 1 275.396 0.683 20 30 CCEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001096539957 852295734 /nfs/dbraw/zinc/29/57/34/852295734.db2.gz DDHQVGRSSXDZHY-XGUBFFRZSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096545554 852313991 /nfs/dbraw/zinc/31/39/91/852313991.db2.gz FDHXPAORAAMEJU-ILXRZTDVSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096545554 852314000 /nfs/dbraw/zinc/31/40/00/852314000.db2.gz FDHXPAORAAMEJU-ILXRZTDVSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847613 852387408 /nfs/dbraw/zinc/38/74/08/852387408.db2.gz YBPYOHZLUKMEJO-CABCVRRESA-N 2 1 287.407 0.781 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052933698 852674226 /nfs/dbraw/zinc/67/42/26/852674226.db2.gz CVHHWWJIGVBYCZ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052933698 852674228 /nfs/dbraw/zinc/67/42/28/852674228.db2.gz CVHHWWJIGVBYCZ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052933698 852674229 /nfs/dbraw/zinc/67/42/29/852674229.db2.gz CVHHWWJIGVBYCZ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052275104 853720952 /nfs/dbraw/zinc/72/09/52/853720952.db2.gz GUSDALPSXGIJSD-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052275104 853720957 /nfs/dbraw/zinc/72/09/57/853720957.db2.gz GUSDALPSXGIJSD-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052275104 853720961 /nfs/dbraw/zinc/72/09/61/853720961.db2.gz GUSDALPSXGIJSD-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052275104 853720965 /nfs/dbraw/zinc/72/09/65/853720965.db2.gz GUSDALPSXGIJSD-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000385677143 853897655 /nfs/dbraw/zinc/89/76/55/853897655.db2.gz CCWJWYVBJYTZNI-CHWSQXEVSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000385677143 853897659 /nfs/dbraw/zinc/89/76/59/853897659.db2.gz CCWJWYVBJYTZNI-CHWSQXEVSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072554041 854415687 /nfs/dbraw/zinc/41/56/87/854415687.db2.gz MZMQSFHMCRZMLP-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072554041 854415691 /nfs/dbraw/zinc/41/56/91/854415691.db2.gz MZMQSFHMCRZMLP-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072554041 854415694 /nfs/dbraw/zinc/41/56/94/854415694.db2.gz MZMQSFHMCRZMLP-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073429796 854558162 /nfs/dbraw/zinc/55/81/62/854558162.db2.gz VKWQJLMANGSYGE-UHFFFAOYSA-N 2 1 261.369 0.250 20 30 CCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073555288 854591738 /nfs/dbraw/zinc/59/17/38/854591738.db2.gz ZFQYZNZHBFUIGO-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073555288 854591742 /nfs/dbraw/zinc/59/17/42/854591742.db2.gz ZFQYZNZHBFUIGO-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073555288 854591744 /nfs/dbraw/zinc/59/17/44/854591744.db2.gz ZFQYZNZHBFUIGO-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073753409 854639320 /nfs/dbraw/zinc/63/93/20/854639320.db2.gz WLJRQOMVRYAXBH-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073753409 854639327 /nfs/dbraw/zinc/63/93/27/854639327.db2.gz WLJRQOMVRYAXBH-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073890337 854658707 /nfs/dbraw/zinc/65/87/07/854658707.db2.gz CGXFKCBLUDBWBD-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073890337 854658697 /nfs/dbraw/zinc/65/86/97/854658697.db2.gz CGXFKCBLUDBWBD-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073890337 854658702 /nfs/dbraw/zinc/65/87/02/854658702.db2.gz CGXFKCBLUDBWBD-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099878969 855017275 /nfs/dbraw/zinc/01/72/75/855017275.db2.gz CEBKDRKXSHFHOG-GJZGRUSLSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099878969 855017282 /nfs/dbraw/zinc/01/72/82/855017282.db2.gz CEBKDRKXSHFHOG-GJZGRUSLSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099878969 855017287 /nfs/dbraw/zinc/01/72/87/855017287.db2.gz CEBKDRKXSHFHOG-GJZGRUSLSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971680 855056079 /nfs/dbraw/zinc/05/60/79/855056079.db2.gz LAMQKQDQQJQDHR-KGLIPLIRSA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986483 855061633 /nfs/dbraw/zinc/06/16/33/855061633.db2.gz LLFZINHRPZNNCE-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099989660 855063258 /nfs/dbraw/zinc/06/32/58/855063258.db2.gz TUTBUGCKVVKBJJ-QWHCGFSZSA-N 2 1 269.389 0.066 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081455 855094166 /nfs/dbraw/zinc/09/41/66/855094166.db2.gz SRUVJSYOFDOFAV-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100126055 855104647 /nfs/dbraw/zinc/10/46/47/855104647.db2.gz ARGRKMUPUGSFNC-GJZGRUSLSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100126055 855104649 /nfs/dbraw/zinc/10/46/49/855104649.db2.gz ARGRKMUPUGSFNC-GJZGRUSLSA-N 2 1 293.411 0.047 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980805 855631931 /nfs/dbraw/zinc/63/19/31/855631931.db2.gz ZABBNENDKLBMEI-FOLVSLTJSA-N 2 1 293.411 0.331 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980805 855631937 /nfs/dbraw/zinc/63/19/37/855631937.db2.gz ZABBNENDKLBMEI-FOLVSLTJSA-N 2 1 293.411 0.331 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCC ZINC001115159212 855648013 /nfs/dbraw/zinc/64/80/13/855648013.db2.gz GFRHTNSIBCGHOP-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115159212 855648015 /nfs/dbraw/zinc/64/80/15/855648015.db2.gz GFRHTNSIBCGHOP-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115159212 855648018 /nfs/dbraw/zinc/64/80/18/855648018.db2.gz GFRHTNSIBCGHOP-NHAGDIPZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115303495 855660629 /nfs/dbraw/zinc/66/06/29/855660629.db2.gz DSRAGJOBBPJUJF-FOLVSLTJSA-N 2 1 295.427 0.576 20 30 CCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115303495 855660631 /nfs/dbraw/zinc/66/06/31/855660631.db2.gz DSRAGJOBBPJUJF-FOLVSLTJSA-N 2 1 295.427 0.576 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115303495 855660632 /nfs/dbraw/zinc/66/06/32/855660632.db2.gz DSRAGJOBBPJUJF-FOLVSLTJSA-N 2 1 295.427 0.576 20 30 CCEDMP CCC[N@H+]1CCCC[C@H]1C(=O)NCC#CC[NH+](C)C ZINC001119595726 856766611 /nfs/dbraw/zinc/76/66/11/856766611.db2.gz DUDLCQWPURREQG-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001323272099 912235699 /nfs/dbraw/zinc/23/56/99/912235699.db2.gz DOYSEIDEFRMBSH-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001323272099 912235721 /nfs/dbraw/zinc/23/57/21/912235721.db2.gz DOYSEIDEFRMBSH-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001324948652 913113636 /nfs/dbraw/zinc/11/36/36/913113636.db2.gz TZXLYEHZLCZZCN-GDBMZVCRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001324948652 913113641 /nfs/dbraw/zinc/11/36/41/913113641.db2.gz TZXLYEHZLCZZCN-GDBMZVCRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001324948652 913113647 /nfs/dbraw/zinc/11/36/47/913113647.db2.gz TZXLYEHZLCZZCN-GDBMZVCRSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001481700142 893041338 /nfs/dbraw/zinc/04/13/38/893041338.db2.gz JTRGVEVCSYOQQD-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001481700142 893041318 /nfs/dbraw/zinc/04/13/18/893041318.db2.gz JTRGVEVCSYOQQD-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001481700142 893041359 /nfs/dbraw/zinc/04/13/59/893041359.db2.gz JTRGVEVCSYOQQD-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001481700142 893041379 /nfs/dbraw/zinc/04/13/79/893041379.db2.gz JTRGVEVCSYOQQD-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001282334474 893121435 /nfs/dbraw/zinc/12/14/35/893121435.db2.gz ACDQDAWBWMMYSZ-UHFFFAOYSA-N 2 1 276.384 0.899 20 30 CCEDMP C#CC[NH2+][C@@H](CC)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001481820575 893188062 /nfs/dbraw/zinc/18/80/62/893188062.db2.gz GGXOMMDKZRPLMP-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482170061 893455311 /nfs/dbraw/zinc/45/53/11/893455311.db2.gz YPNRLROPFIALOB-STQMWFEESA-N 2 1 251.374 0.303 20 30 CCEDMP C=CCC[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001268715356 893489722 /nfs/dbraw/zinc/48/97/22/893489722.db2.gz KTWFHLZQHMIXQW-NSHDSACASA-N 2 1 250.346 0.862 20 30 CCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001284501805 893585077 /nfs/dbraw/zinc/58/50/77/893585077.db2.gz JFDPGRZLBSVZRQ-KBPBESRZSA-N 2 1 285.432 0.510 20 30 CCEDMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482398590 893954475 /nfs/dbraw/zinc/95/44/75/893954475.db2.gz PEXNADDMEOQWGY-KGLIPLIRSA-N 2 1 265.401 0.692 20 30 CCEDMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001326224169 913832394 /nfs/dbraw/zinc/83/23/94/913832394.db2.gz VQVYTLMZNBDCSW-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001326224169 913832416 /nfs/dbraw/zinc/83/24/16/913832416.db2.gz VQVYTLMZNBDCSW-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001507328588 895550418 /nfs/dbraw/zinc/55/04/18/895550418.db2.gz QKCHBVUYJIHXAQ-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001484380332 896371725 /nfs/dbraw/zinc/37/17/25/896371725.db2.gz HVQHPJDREXRQAX-UONOGXRCSA-N 2 1 265.401 0.646 20 30 CCEDMP C=CC[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001485026932 896723482 /nfs/dbraw/zinc/72/34/82/896723482.db2.gz ISDOLLAIZVXANS-UHFFFAOYSA-N 2 1 292.383 0.321 20 30 CCEDMP C#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001493569423 896769091 /nfs/dbraw/zinc/76/90/91/896769091.db2.gz JRESTVCUYPTWRL-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC#CC)CC1 ZINC001485387897 897025826 /nfs/dbraw/zinc/02/58/26/897025826.db2.gz JSFOKJUBDCLXTO-HNNXBMFYSA-N 2 1 289.423 0.791 20 30 CCEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001485386231 897027339 /nfs/dbraw/zinc/02/73/39/897027339.db2.gz DKWYDCYWKPPYBS-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001485386231 897027350 /nfs/dbraw/zinc/02/73/50/897027350.db2.gz DKWYDCYWKPPYBS-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001485386231 897027360 /nfs/dbraw/zinc/02/73/60/897027360.db2.gz DKWYDCYWKPPYBS-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001485386231 897027370 /nfs/dbraw/zinc/02/73/70/897027370.db2.gz DKWYDCYWKPPYBS-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1 ZINC001485529824 897101320 /nfs/dbraw/zinc/10/13/20/897101320.db2.gz VNTUMSUOGJVHMY-AWEZNQCLSA-N 2 1 295.427 0.415 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1 ZINC001485529824 897101344 /nfs/dbraw/zinc/10/13/44/897101344.db2.gz VNTUMSUOGJVHMY-AWEZNQCLSA-N 2 1 295.427 0.415 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001485619140 897146079 /nfs/dbraw/zinc/14/60/79/897146079.db2.gz MMJHOXHZXWJMDK-YHUYYLMFSA-N 2 1 289.423 0.646 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001485619140 897146085 /nfs/dbraw/zinc/14/60/85/897146085.db2.gz MMJHOXHZXWJMDK-YHUYYLMFSA-N 2 1 289.423 0.646 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001485619140 897146095 /nfs/dbraw/zinc/14/60/95/897146095.db2.gz MMJHOXHZXWJMDK-YHUYYLMFSA-N 2 1 289.423 0.646 20 30 CCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485772514 897238464 /nfs/dbraw/zinc/23/84/64/897238464.db2.gz LMJDSMUKEXEZDY-OAHLLOKOSA-N 2 1 293.411 0.026 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001485854797 898463435 /nfs/dbraw/zinc/46/34/35/898463435.db2.gz GYNVHLYXHIKCMY-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCN1CC[C@H]1CN(C)C(=O)C[N@H+](C)CCC ZINC001488684052 900343158 /nfs/dbraw/zinc/34/31/58/900343158.db2.gz RYDCIHPVNQABCR-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)CCC ZINC001488684052 900343166 /nfs/dbraw/zinc/34/31/66/900343166.db2.gz RYDCIHPVNQABCR-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CCC ZINC001488684052 900343178 /nfs/dbraw/zinc/34/31/78/900343178.db2.gz RYDCIHPVNQABCR-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CCC ZINC001488684052 900343186 /nfs/dbraw/zinc/34/31/86/900343186.db2.gz RYDCIHPVNQABCR-ZDUSSCGKSA-N 2 1 251.374 0.494 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001488800669 900378860 /nfs/dbraw/zinc/37/88/60/900378860.db2.gz VKOVVKJHUJYHKD-ZNMIVQPWSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001488800669 900378868 /nfs/dbraw/zinc/37/88/68/900378868.db2.gz VKOVVKJHUJYHKD-ZNMIVQPWSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001490530091 900647956 /nfs/dbraw/zinc/64/79/56/900647956.db2.gz JTRGVEVCSYOQQD-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001490530091 900647961 /nfs/dbraw/zinc/64/79/61/900647961.db2.gz JTRGVEVCSYOQQD-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001490530091 900647964 /nfs/dbraw/zinc/64/79/64/900647964.db2.gz JTRGVEVCSYOQQD-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001490530091 900647970 /nfs/dbraw/zinc/64/79/70/900647970.db2.gz JTRGVEVCSYOQQD-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP CC#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001327649640 914680619 /nfs/dbraw/zinc/68/06/19/914680619.db2.gz DXJVDFQSJKVVNX-CQSZACIVSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001281529889 904300737 /nfs/dbraw/zinc/30/07/37/904300737.db2.gz CYMXABYCVUKCCV-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)CCCn1cc[nH+]c1C ZINC001283817938 905035913 /nfs/dbraw/zinc/03/59/13/905035913.db2.gz VAWOQEIIWOLNNM-CQSZACIVSA-N 2 1 292.383 0.062 20 30 CCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001284515208 905347070 /nfs/dbraw/zinc/34/70/70/905347070.db2.gz BFRLEHQLSHLDHY-CABCVRRESA-N 2 1 295.427 0.103 20 30 CCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001284515208 905347084 /nfs/dbraw/zinc/34/70/84/905347084.db2.gz BFRLEHQLSHLDHY-CABCVRRESA-N 2 1 295.427 0.103 20 30 CCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001284515208 905347099 /nfs/dbraw/zinc/34/70/99/905347099.db2.gz BFRLEHQLSHLDHY-CABCVRRESA-N 2 1 295.427 0.103 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001284956144 905510706 /nfs/dbraw/zinc/51/07/06/905510706.db2.gz AVOFBZONHYLNIC-AWEZNQCLSA-N 2 1 263.385 0.708 20 30 CCEDMP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001492126360 907711923 /nfs/dbraw/zinc/71/19/23/907711923.db2.gz BZTJWZKVJCGFCE-OLZOCXBDSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001492126360 907711930 /nfs/dbraw/zinc/71/19/30/907711930.db2.gz BZTJWZKVJCGFCE-OLZOCXBDSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001316744163 908566318 /nfs/dbraw/zinc/56/63/18/908566318.db2.gz MFDNIWKXRKYDDZ-GJZGRUSLSA-N 2 1 295.427 0.552 20 30 CCEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001316744163 908566331 /nfs/dbraw/zinc/56/63/31/908566331.db2.gz MFDNIWKXRKYDDZ-GJZGRUSLSA-N 2 1 295.427 0.552 20 30 CCEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001316744163 908566343 /nfs/dbraw/zinc/56/63/43/908566343.db2.gz MFDNIWKXRKYDDZ-GJZGRUSLSA-N 2 1 295.427 0.552 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001316790790 908775394 /nfs/dbraw/zinc/77/53/94/908775394.db2.gz MZWIVVZDCUEFNP-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001317180014 909033264 /nfs/dbraw/zinc/03/32/64/909033264.db2.gz ZRTMRTDQRNPOAS-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317322799 909142623 /nfs/dbraw/zinc/14/26/23/909142623.db2.gz QQEGWTRZCYCLPC-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001317445905 909215529 /nfs/dbraw/zinc/21/55/29/909215529.db2.gz NGWGPYWOPUUTRB-QWHCGFSZSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001317445905 909215540 /nfs/dbraw/zinc/21/55/40/909215540.db2.gz NGWGPYWOPUUTRB-QWHCGFSZSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001317445905 909215555 /nfs/dbraw/zinc/21/55/55/909215555.db2.gz NGWGPYWOPUUTRB-QWHCGFSZSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001317510598 909277305 /nfs/dbraw/zinc/27/73/05/909277305.db2.gz XUGOBYXHYPNCGO-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001317510598 909277323 /nfs/dbraw/zinc/27/73/23/909277323.db2.gz XUGOBYXHYPNCGO-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317530094 909301279 /nfs/dbraw/zinc/30/12/79/909301279.db2.gz SYHNNDFRGFLGAK-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001317533426 909303244 /nfs/dbraw/zinc/30/32/44/909303244.db2.gz VFIQTAAKYCQTMV-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001317533426 909303263 /nfs/dbraw/zinc/30/32/63/909303263.db2.gz VFIQTAAKYCQTMV-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001317533426 909303276 /nfs/dbraw/zinc/30/32/76/909303276.db2.gz VFIQTAAKYCQTMV-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317808788 909505344 /nfs/dbraw/zinc/50/53/44/909505344.db2.gz HTQBCLCMRYYIMI-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001320109620 910466272 /nfs/dbraw/zinc/46/62/72/910466272.db2.gz DHFMDBPHFUZGOK-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH2+]C/C=C/CNC(=O)C[N@H+](C)C1CCC1 ZINC001321096453 911079510 /nfs/dbraw/zinc/07/95/10/911079510.db2.gz PJXDKGHLCUODEH-AATRIKPKSA-N 2 1 263.385 0.756 20 30 CCEDMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001322451488 911812049 /nfs/dbraw/zinc/81/20/49/911812049.db2.gz CRVYGZAHPGQDEM-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001322451488 911812061 /nfs/dbraw/zinc/81/20/61/911812061.db2.gz CRVYGZAHPGQDEM-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP CN(C)c1[nH+]cc(CNC(=O)[C@H]([NH3+])CCCC#N)n1C ZINC001328182311 915019083 /nfs/dbraw/zinc/01/90/83/915019083.db2.gz YLYSRDNSJBYZJW-LLVKDONJSA-N 2 1 278.360 0.123 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001329411554 915892325 /nfs/dbraw/zinc/89/23/25/915892325.db2.gz PLPYZQROVBSUPX-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001329411554 915892338 /nfs/dbraw/zinc/89/23/38/915892338.db2.gz PLPYZQROVBSUPX-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001329411554 915892349 /nfs/dbraw/zinc/89/23/49/915892349.db2.gz PLPYZQROVBSUPX-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001329411554 915892362 /nfs/dbraw/zinc/89/23/62/915892362.db2.gz PLPYZQROVBSUPX-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001329411554 915892371 /nfs/dbraw/zinc/89/23/71/915892371.db2.gz PLPYZQROVBSUPX-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001330340162 916565423 /nfs/dbraw/zinc/56/54/23/916565423.db2.gz NVIQMIKCEUFACT-FQUUOJAGSA-N 2 1 263.385 0.254 20 30 CCEDMP C[N@@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1(C)C ZINC001330917811 916968754 /nfs/dbraw/zinc/96/87/54/916968754.db2.gz REVTYOMKUHXQGE-UHFFFAOYSA-N 2 1 263.385 0.542 20 30 CCEDMP C[N@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1(C)C ZINC001330917811 916968780 /nfs/dbraw/zinc/96/87/80/916968780.db2.gz REVTYOMKUHXQGE-UHFFFAOYSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCC[NH+](C)C ZINC001332662411 918365201 /nfs/dbraw/zinc/36/52/01/918365201.db2.gz FHEJXKFOJOHLFD-CQSZACIVSA-N 2 1 283.416 0.103 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001336242743 920680848 /nfs/dbraw/zinc/68/08/48/920680848.db2.gz ZQMJMJASUXYBAP-YNEHKIRRSA-N 2 1 264.373 0.134 20 30 CCEDMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001336763030 920988703 /nfs/dbraw/zinc/98/87/03/920988703.db2.gz LTPWQUIXYAYDKI-CHWSQXEVSA-N 2 1 251.374 0.973 20 30 CCEDMP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC001336801191 921021609 /nfs/dbraw/zinc/02/16/09/921021609.db2.gz WDUIUPCXAWNQOP-WCQYABFASA-N 2 1 257.378 0.189 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC001340852744 922243773 /nfs/dbraw/zinc/24/37/73/922243773.db2.gz ISVIIALEXGQWMM-QWHCGFSZSA-N 2 1 269.389 0.507 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC001343433498 923312341 /nfs/dbraw/zinc/31/23/41/923312341.db2.gz XXLYCSGWYZCEOO-CYBMUJFWSA-N 2 1 251.374 0.303 20 30 CCEDMP Cn1c[nH+]cc1CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC001356582096 926403039 /nfs/dbraw/zinc/40/30/39/926403039.db2.gz AKPPMINGLZPQHF-AWEZNQCLSA-N 2 1 292.383 0.624 20 30 CCEDMP N#CC1(C[C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000600744874 362053064 /nfs/dbraw/zinc/05/30/64/362053064.db2.gz QEGJDJLZIQMRSS-HUUCEWRRSA-N 2 1 295.427 0.868 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602876642 362857987 /nfs/dbraw/zinc/85/79/87/362857987.db2.gz HUXSWNMXNOTYLS-OAHLLOKOSA-N 2 1 296.415 0.137 20 30 CCEDMP N#Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179723 348681297 /nfs/dbraw/zinc/68/12/97/348681297.db2.gz RJMUVQJHJCQPOO-HNNXBMFYSA-N 2 1 286.379 0.845 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000570345737 358849668 /nfs/dbraw/zinc/84/96/68/358849668.db2.gz UPWUJWDZRIZUFH-KGLIPLIRSA-N 2 1 270.336 0.302 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000570345737 358849672 /nfs/dbraw/zinc/84/96/72/358849672.db2.gz UPWUJWDZRIZUFH-KGLIPLIRSA-N 2 1 270.336 0.302 20 30 CCEDMP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594437440 360305715 /nfs/dbraw/zinc/30/57/15/360305715.db2.gz JSXGEXWYGIZPGO-ZIAGYGMSSA-N 2 1 278.400 0.998 20 30 CCEDMP COCC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598719393 361496135 /nfs/dbraw/zinc/49/61/35/361496135.db2.gz HNSJPYKYYSAXND-AWEZNQCLSA-N 2 1 283.416 0.988 20 30 CCEDMP CC[NH+](CC#CC[N@H+](CC)[C@@H](C)CO)[C@@H](C)CO ZINC000339628274 389136513 /nfs/dbraw/zinc/13/65/13/389136513.db2.gz YVUFOAMDJRHYGW-KBPBESRZSA-N 2 1 256.390 0.395 20 30 CCEDMP CC[NH+](CC#CC[N@H+](CC)[C@H](C)CO)[C@H](C)CO ZINC000339628276 389136825 /nfs/dbraw/zinc/13/68/25/389136825.db2.gz YVUFOAMDJRHYGW-ZIAGYGMSSA-N 2 1 256.390 0.395 20 30 CCEDMP CC#CCCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000156480258 389326330 /nfs/dbraw/zinc/32/63/30/389326330.db2.gz XOBPPDXXDIRWFO-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP CN1CC[NH+]=C1NCc1cccnc1N1CC[NH+](C)CC1 ZINC000262479934 389287405 /nfs/dbraw/zinc/28/74/05/389287405.db2.gz CWYYNJSJMYJVPW-UHFFFAOYSA-N 2 1 288.399 0.224 20 30 CCEDMP COCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264125182 389307942 /nfs/dbraw/zinc/30/79/42/389307942.db2.gz WDZWOASVBKXTLO-CYBMUJFWSA-N 2 1 290.411 0.984 20 30 CCEDMP COCCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264125182 389307947 /nfs/dbraw/zinc/30/79/47/389307947.db2.gz WDZWOASVBKXTLO-CYBMUJFWSA-N 2 1 290.411 0.984 20 30 CCEDMP C=CCOCCC[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000348054307 389364368 /nfs/dbraw/zinc/36/43/68/389364368.db2.gz XMSRVYNSQMKYPR-UHFFFAOYSA-N 2 1 256.390 0.968 20 30 CCEDMP C=CCOCCC[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000348054307 389364377 /nfs/dbraw/zinc/36/43/77/389364377.db2.gz XMSRVYNSQMKYPR-UHFFFAOYSA-N 2 1 256.390 0.968 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000491631217 390115250 /nfs/dbraw/zinc/11/52/50/390115250.db2.gz PYTXQTSANYTMCG-UHFFFAOYSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000491631217 390115251 /nfs/dbraw/zinc/11/52/51/390115251.db2.gz PYTXQTSANYTMCG-UHFFFAOYSA-N 2 1 263.385 0.686 20 30 CCEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000563008482 390492334 /nfs/dbraw/zinc/49/23/34/390492334.db2.gz ZSXWXPGFTXWIGN-UBHSHLNASA-N 2 1 254.374 0.622 20 30 CCEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000563008482 390492335 /nfs/dbraw/zinc/49/23/35/390492335.db2.gz ZSXWXPGFTXWIGN-UBHSHLNASA-N 2 1 254.374 0.622 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000572869757 390808019 /nfs/dbraw/zinc/80/80/19/390808019.db2.gz OBYVBTSIAJNGNE-IUCAKERBSA-N 2 1 260.288 0.073 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000491810865 262086779 /nfs/dbraw/zinc/08/67/79/262086779.db2.gz ALXVMGJNAYIXQA-OLZOCXBDSA-N 2 1 266.389 0.320 20 30 CCEDMP CC(C)[NH+](CC#CC[N@H+](CCO)C(C)C)CCO ZINC000341834875 263353283 /nfs/dbraw/zinc/35/32/83/263353283.db2.gz SHGXMMAZEVYIKP-UHFFFAOYSA-N 2 1 256.390 0.395 20 30 CCEDMP CC[C@@H]1C[NH+](CC#CC[N@H+]2C[C@H](O)[C@@H](CC)C2)C[C@@H]1O ZINC000341902927 263364988 /nfs/dbraw/zinc/36/49/88/263364988.db2.gz GHQYACXVYLEUBP-FZKCQIBNSA-N 2 1 280.412 0.395 20 30 CCEDMP CC[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](O)[C@@H](CC)C2)C[C@@H]1O ZINC000341902927 263364992 /nfs/dbraw/zinc/36/49/92/263364992.db2.gz GHQYACXVYLEUBP-FZKCQIBNSA-N 2 1 280.412 0.395 20 30 CCEDMP CC[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@H](O)[C@@H](CC)C2)C[C@@H]1O ZINC000341902927 263364994 /nfs/dbraw/zinc/36/49/94/263364994.db2.gz GHQYACXVYLEUBP-FZKCQIBNSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@@H]2CO)[C@@H]1CO ZINC000342140918 263391228 /nfs/dbraw/zinc/39/12/28/263391228.db2.gz YPJTYIKAYQNQCO-GEEKYZPCSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@@H]2CO)[C@@H]1CO ZINC000342140918 263391231 /nfs/dbraw/zinc/39/12/31/263391231.db2.gz YPJTYIKAYQNQCO-GEEKYZPCSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@@H]2CO)[C@@H]1CO ZINC000342140918 263391232 /nfs/dbraw/zinc/39/12/32/263391232.db2.gz YPJTYIKAYQNQCO-GEEKYZPCSA-N 2 1 280.412 0.395 20 30 CCEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NC(=O)NC)C[C@H]1C ZINC000330864321 264056997 /nfs/dbraw/zinc/05/69/97/264056997.db2.gz NCBYNDSQTJMXDJ-NEPJUHHUSA-N 2 1 284.404 0.841 20 30 CCEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NC(=O)NC)C[C@H]1C ZINC000330864321 264056998 /nfs/dbraw/zinc/05/69/98/264056998.db2.gz NCBYNDSQTJMXDJ-NEPJUHHUSA-N 2 1 284.404 0.841 20 30 CCEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NC(=O)NC)C[C@H]1C ZINC000330864321 264057001 /nfs/dbraw/zinc/05/70/01/264057001.db2.gz NCBYNDSQTJMXDJ-NEPJUHHUSA-N 2 1 284.404 0.841 20 30 CCEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NC(=O)NC)C[C@@H]1C ZINC000330864322 264057186 /nfs/dbraw/zinc/05/71/86/264057186.db2.gz NCBYNDSQTJMXDJ-RYUDHWBXSA-N 2 1 284.404 0.841 20 30 CCEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NC(=O)NC)C[C@@H]1C ZINC000330864322 264057188 /nfs/dbraw/zinc/05/71/88/264057188.db2.gz NCBYNDSQTJMXDJ-RYUDHWBXSA-N 2 1 284.404 0.841 20 30 CCEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NC(=O)NC)C[C@@H]1C ZINC000330864322 264057190 /nfs/dbraw/zinc/05/71/90/264057190.db2.gz NCBYNDSQTJMXDJ-RYUDHWBXSA-N 2 1 284.404 0.841 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362800852 267047707 /nfs/dbraw/zinc/04/77/07/267047707.db2.gz JFUJUGKSTSYQBN-TZMCWYRMSA-N 2 1 265.401 0.951 20 30 CCEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000262244941 330002559 /nfs/dbraw/zinc/00/25/59/330002559.db2.gz ASKBZWXMDLHNKD-MRXNPFEDSA-N 2 1 290.411 0.760 20 30 CCEDMP C[NH+]=C(NCC1CC1)NC[C@]1([NH+](C)C)CCSC1 ZINC000262807071 330032963 /nfs/dbraw/zinc/03/29/63/330032963.db2.gz SPLXKPRYQGPNTI-CYBMUJFWSA-N 2 1 270.446 0.999 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[C@H](C)O1 ZINC000263151144 330046073 /nfs/dbraw/zinc/04/60/73/330046073.db2.gz PLYSKHVZDGHSTH-XQQFMLRXSA-N 2 1 268.405 0.943 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424143219 330287001 /nfs/dbraw/zinc/28/70/01/330287001.db2.gz FLWYWUOXOVDDLP-CHWSQXEVSA-N 2 1 266.389 0.998 20 30 CCEDMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424144223 330289610 /nfs/dbraw/zinc/28/96/10/330289610.db2.gz KTUYQPPERNXOQG-UPJWGTAASA-N 2 1 264.373 0.703 20 30 CCEDMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424147226 330293845 /nfs/dbraw/zinc/29/38/45/330293845.db2.gz QVSOBJQHFGSGLL-QWHCGFSZSA-N 2 1 282.388 0.235 20 30 CCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424160788 330306347 /nfs/dbraw/zinc/30/63/47/330306347.db2.gz UVBCZCOTDKKQSO-OLZOCXBDSA-N 2 1 282.388 0.235 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000491717197 332306699 /nfs/dbraw/zinc/30/66/99/332306699.db2.gz VRCBMORCXRIADR-KGLIPLIRSA-N 2 1 280.416 0.710 20 30 CCEDMP C#C[C@@H](CC)NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000491734149 332315020 /nfs/dbraw/zinc/31/50/20/332315020.db2.gz RRJLLNYALSJIFO-LBPRGKRZSA-N 2 1 252.362 0.234 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000491772878 332339079 /nfs/dbraw/zinc/33/90/79/332339079.db2.gz UZEMXHJFXZSRKH-CQSZACIVSA-N 2 1 284.379 0.285 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000491772878 332339081 /nfs/dbraw/zinc/33/90/81/332339081.db2.gz UZEMXHJFXZSRKH-CQSZACIVSA-N 2 1 284.379 0.285 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000491775268 332340910 /nfs/dbraw/zinc/34/09/10/332340910.db2.gz DTOQBUSCMMWPAP-UHFFFAOYSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000491821032 332370478 /nfs/dbraw/zinc/37/04/78/332370478.db2.gz UNFGMUIRLBNEPY-AWEZNQCLSA-N 2 1 280.416 0.583 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000491821032 332370480 /nfs/dbraw/zinc/37/04/80/332370480.db2.gz UNFGMUIRLBNEPY-AWEZNQCLSA-N 2 1 280.416 0.583 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000491821032 332370481 /nfs/dbraw/zinc/37/04/81/332370481.db2.gz UNFGMUIRLBNEPY-AWEZNQCLSA-N 2 1 280.416 0.583 20 30 CCEDMP C#CCNC(=O)[C@H](C)NC1CC[NH+](CCOC(C)C)CC1 ZINC000177492381 333059530 /nfs/dbraw/zinc/05/95/30/333059530.db2.gz HNIJOYHGSQKGGI-AWEZNQCLSA-N 2 1 295.427 0.603 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1(C)OCCO1 ZINC000305816626 649880495 /nfs/dbraw/zinc/88/04/95/649880495.db2.gz MOKUEVNBGOKACR-LBPRGKRZSA-N 2 1 284.404 0.528 20 30 CCEDMP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000783536921 581349128 /nfs/dbraw/zinc/34/91/28/581349128.db2.gz RQQVZWCDIDVVGF-STQMWFEESA-N 2 1 272.414 0.804 20 30 CCEDMP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000783536921 581349130 /nfs/dbraw/zinc/34/91/30/581349130.db2.gz RQQVZWCDIDVVGF-STQMWFEESA-N 2 1 272.414 0.804 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000787633874 581474477 /nfs/dbraw/zinc/47/44/77/581474477.db2.gz MBQFCNDDSMYDTQ-MJBXVCDLSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000787633874 581474478 /nfs/dbraw/zinc/47/44/78/581474478.db2.gz MBQFCNDDSMYDTQ-MJBXVCDLSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000787633874 581474479 /nfs/dbraw/zinc/47/44/79/581474479.db2.gz MBQFCNDDSMYDTQ-MJBXVCDLSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000787633874 581474480 /nfs/dbraw/zinc/47/44/80/581474480.db2.gz MBQFCNDDSMYDTQ-MJBXVCDLSA-N 2 1 261.369 0.104 20 30 CCEDMP C[NH+](C)CCCNC(=S)NN=C1CCC[N@@H+](C)CC1 ZINC000758111254 581721550 /nfs/dbraw/zinc/72/15/50/581721550.db2.gz UMVYRDODKYSRDI-UHFFFAOYSA-N 2 1 285.461 0.874 20 30 CCEDMP C#CCCN(CCOC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000852749399 612989199 /nfs/dbraw/zinc/98/91/99/612989199.db2.gz WURLOCLYISQLSJ-AWEZNQCLSA-N 2 1 254.374 0.413 20 30 CCEDMP C#CCC[N@@H+](CCOC)C[C@@H](O)CN(C)C1CC1 ZINC000852749399 612989200 /nfs/dbraw/zinc/98/92/00/612989200.db2.gz WURLOCLYISQLSJ-AWEZNQCLSA-N 2 1 254.374 0.413 20 30 CCEDMP C#CCC[N@H+](CCOC)C[C@@H](O)CN(C)C1CC1 ZINC000852749399 612989202 /nfs/dbraw/zinc/98/92/02/612989202.db2.gz WURLOCLYISQLSJ-AWEZNQCLSA-N 2 1 254.374 0.413 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841909346 613076890 /nfs/dbraw/zinc/07/68/90/613076890.db2.gz CRBMZHPPVSVZJH-STQMWFEESA-N 2 1 266.389 0.511 20 30 CCEDMP C#CCOCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000851860543 612984320 /nfs/dbraw/zinc/98/43/20/612984320.db2.gz KOYNAISTKJHVQR-RRFJBIMHSA-N 2 1 266.385 0.820 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981872607 613002766 /nfs/dbraw/zinc/00/27/66/613002766.db2.gz PADVZSBUIOESIS-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000980833178 613003583 /nfs/dbraw/zinc/00/35/83/613003583.db2.gz CZXROCWIQOQQGW-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980833178 613003585 /nfs/dbraw/zinc/00/35/85/613003585.db2.gz CZXROCWIQOQQGW-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980833178 613003586 /nfs/dbraw/zinc/00/35/86/613003586.db2.gz CZXROCWIQOQQGW-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962560178 613042881 /nfs/dbraw/zinc/04/28/81/613042881.db2.gz ZIKXTRZWADKHLI-NHAGDIPZSA-N 2 1 261.369 0.152 20 30 CCEDMP C#CCN(C(=O)NC[C@@H]1CC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000925439810 613067174 /nfs/dbraw/zinc/06/71/74/613067174.db2.gz VZPPMNUHRDZUKA-AWEZNQCLSA-N 2 1 278.400 0.430 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000895057954 613074204 /nfs/dbraw/zinc/07/42/04/613074204.db2.gz XQZKAGMQRXSHEL-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000895057954 613074206 /nfs/dbraw/zinc/07/42/06/613074206.db2.gz XQZKAGMQRXSHEL-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000895057954 613074208 /nfs/dbraw/zinc/07/42/08/613074208.db2.gz XQZKAGMQRXSHEL-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCOC12CCOCC2 ZINC000926489893 613079485 /nfs/dbraw/zinc/07/94/85/613079485.db2.gz LKJYSCNDFKMOFZ-AWEZNQCLSA-N 2 1 266.385 0.869 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCOC12CCOCC2 ZINC000926489893 613079487 /nfs/dbraw/zinc/07/94/87/613079487.db2.gz LKJYSCNDFKMOFZ-AWEZNQCLSA-N 2 1 266.385 0.869 20 30 CCEDMP C#C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000863564396 613099608 /nfs/dbraw/zinc/09/96/08/613099608.db2.gz WKTPJHOTKYTWHC-HUUCEWRRSA-N 2 1 266.385 0.461 20 30 CCEDMP C#C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000863564397 613099721 /nfs/dbraw/zinc/09/97/21/613099721.db2.gz WKTPJHOTKYTWHC-LSDHHAIUSA-N 2 1 266.385 0.461 20 30 CCEDMP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969975968 613117640 /nfs/dbraw/zinc/11/76/40/613117640.db2.gz OFIMUWOSEVRTQS-TZMCWYRMSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969975968 613117645 /nfs/dbraw/zinc/11/76/45/613117645.db2.gz OFIMUWOSEVRTQS-TZMCWYRMSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969703373 613123323 /nfs/dbraw/zinc/12/33/23/613123323.db2.gz GYJNIFRVWYZIGU-OUCADQQQSA-N 2 1 263.385 0.396 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969703373 613123324 /nfs/dbraw/zinc/12/33/24/613123324.db2.gz GYJNIFRVWYZIGU-OUCADQQQSA-N 2 1 263.385 0.396 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000918178565 613133963 /nfs/dbraw/zinc/13/39/63/613133963.db2.gz ACAFFFVQNCKJAN-UHFFFAOYSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000981330216 613153189 /nfs/dbraw/zinc/15/31/89/613153189.db2.gz AREXQQRAENBPSA-CQSZACIVSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000981330216 613153191 /nfs/dbraw/zinc/15/31/91/613153191.db2.gz AREXQQRAENBPSA-CQSZACIVSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000890371349 613183051 /nfs/dbraw/zinc/18/30/51/613183051.db2.gz SVQYOLDAGLNJOL-HNNXBMFYSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000890371349 613183053 /nfs/dbraw/zinc/18/30/53/613183053.db2.gz SVQYOLDAGLNJOL-HNNXBMFYSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824101397 613201984 /nfs/dbraw/zinc/20/19/84/613201984.db2.gz SPOLRILZRDEUDV-ZNMIVQPWSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824101397 613201985 /nfs/dbraw/zinc/20/19/85/613201985.db2.gz SPOLRILZRDEUDV-ZNMIVQPWSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947933802 613224156 /nfs/dbraw/zinc/22/41/56/613224156.db2.gz GWVUINARAOFPFY-UONOGXRCSA-N 2 1 275.396 0.685 20 30 CCEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969440410 613249339 /nfs/dbraw/zinc/24/93/39/613249339.db2.gz GKDVWDUYDPBNOZ-DZGCQCFKSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969440410 613249341 /nfs/dbraw/zinc/24/93/41/613249341.db2.gz GKDVWDUYDPBNOZ-DZGCQCFKSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941167014 613257055 /nfs/dbraw/zinc/25/70/55/613257055.db2.gz OSOWBMRQFFTGLV-AWEZNQCLSA-N 2 1 289.423 0.932 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000980447049 613285402 /nfs/dbraw/zinc/28/54/02/613285402.db2.gz CQBYAJNMOHNLIG-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000980447049 613285404 /nfs/dbraw/zinc/28/54/04/613285404.db2.gz CQBYAJNMOHNLIG-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000980447049 613285406 /nfs/dbraw/zinc/28/54/06/613285406.db2.gz CQBYAJNMOHNLIG-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000980447049 613285409 /nfs/dbraw/zinc/28/54/09/613285409.db2.gz CQBYAJNMOHNLIG-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000960726140 613315654 /nfs/dbraw/zinc/31/56/54/613315654.db2.gz ZSTBIJLGUQMDHP-XUWVNRHRSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000960726140 613315655 /nfs/dbraw/zinc/31/56/55/613315655.db2.gz ZSTBIJLGUQMDHP-XUWVNRHRSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000960726140 613315657 /nfs/dbraw/zinc/31/56/57/613315657.db2.gz ZSTBIJLGUQMDHP-XUWVNRHRSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000960582175 613317058 /nfs/dbraw/zinc/31/70/58/613317058.db2.gz SYCGRXDYFKGUFS-RQJABVFESA-N 2 1 261.369 0.150 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC000960582175 613317060 /nfs/dbraw/zinc/31/70/60/613317060.db2.gz SYCGRXDYFKGUFS-RQJABVFESA-N 2 1 261.369 0.150 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC000960582175 613317062 /nfs/dbraw/zinc/31/70/62/613317062.db2.gz SYCGRXDYFKGUFS-RQJABVFESA-N 2 1 261.369 0.150 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000908030045 613364997 /nfs/dbraw/zinc/36/49/97/613364997.db2.gz WLVONMAAQCIOQW-CQSZACIVSA-N 2 1 280.416 0.000 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000900629851 613365108 /nfs/dbraw/zinc/36/51/08/613365108.db2.gz CITZHJRYNWFFSA-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827277927 613366238 /nfs/dbraw/zinc/36/62/38/613366238.db2.gz RHMVFGNBXCWOOD-QWHCGFSZSA-N 2 1 251.374 0.657 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874830361 613366343 /nfs/dbraw/zinc/36/63/43/613366343.db2.gz QWIIYTOJYUSQJQ-STQMWFEESA-N 2 1 251.374 0.799 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC(C)(C)CC[NH+]1CCOCC1 ZINC000912952415 613366468 /nfs/dbraw/zinc/36/64/68/613366468.db2.gz YPDZOWIGYQQSEJ-UHFFFAOYSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(Cl)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903495276 613380513 /nfs/dbraw/zinc/38/05/13/613380513.db2.gz YGLKRJBYCNRISN-UMNHJUIQSA-N 2 1 258.749 0.951 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979070126 613381690 /nfs/dbraw/zinc/38/16/90/613381690.db2.gz KXGCPYWXFIKDGQ-XDQVBPFNSA-N 2 1 297.830 0.985 20 30 CCEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979070126 613381691 /nfs/dbraw/zinc/38/16/91/613381691.db2.gz KXGCPYWXFIKDGQ-XDQVBPFNSA-N 2 1 297.830 0.985 20 30 CCEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979070126 613381692 /nfs/dbraw/zinc/38/16/92/613381692.db2.gz KXGCPYWXFIKDGQ-XDQVBPFNSA-N 2 1 297.830 0.985 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000876707756 613389900 /nfs/dbraw/zinc/38/99/00/613389900.db2.gz QLRUTYRNBRTBQH-NSHDSACASA-N 2 1 275.780 0.295 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+](C)CCCOC ZINC000876770191 613390039 /nfs/dbraw/zinc/39/00/39/613390039.db2.gz ASLGPDKLPRFULM-NSHDSACASA-N 2 1 277.796 0.541 20 30 CCEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000949830469 613478270 /nfs/dbraw/zinc/47/82/70/613478270.db2.gz NVFYBDNGJCXPGV-AWEZNQCLSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000950510231 613508512 /nfs/dbraw/zinc/50/85/12/613508512.db2.gz OFMAIUSRUDOVKL-KBPBESRZSA-N 2 1 265.401 0.904 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981167453 613551046 /nfs/dbraw/zinc/55/10/46/613551046.db2.gz BLIJQXVFMKKLCT-MRXNPFEDSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981167453 613551050 /nfs/dbraw/zinc/55/10/50/613551050.db2.gz BLIJQXVFMKKLCT-MRXNPFEDSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981960711 613553521 /nfs/dbraw/zinc/55/35/21/613553521.db2.gz XGUUTMZRGDPXLZ-GJZGRUSLSA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981960711 613553522 /nfs/dbraw/zinc/55/35/22/613553522.db2.gz XGUUTMZRGDPXLZ-GJZGRUSLSA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000981960711 613553524 /nfs/dbraw/zinc/55/35/24/613553524.db2.gz XGUUTMZRGDPXLZ-GJZGRUSLSA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981960711 613553526 /nfs/dbraw/zinc/55/35/26/613553526.db2.gz XGUUTMZRGDPXLZ-GJZGRUSLSA-N 2 1 277.412 0.742 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)C1=O ZINC000923493237 613778554 /nfs/dbraw/zinc/77/85/54/613778554.db2.gz FXLWVVOLYURFMA-XQQFMLRXSA-N 2 1 251.374 0.690 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703580 613849655 /nfs/dbraw/zinc/84/96/55/613849655.db2.gz KAPNTHXOZDQMIN-HNNXBMFYSA-N 2 1 296.415 0.695 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703580 613849656 /nfs/dbraw/zinc/84/96/56/613849656.db2.gz KAPNTHXOZDQMIN-HNNXBMFYSA-N 2 1 296.415 0.695 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000969960148 613863633 /nfs/dbraw/zinc/86/36/33/613863633.db2.gz PICUWNWHTRCGDD-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCOC(=O)[C@@H](N)CC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000884229788 613877905 /nfs/dbraw/zinc/87/79/05/613877905.db2.gz AGCQPTBQYOKLMZ-OLZOCXBDSA-N 2 1 297.399 0.233 20 30 CCEDMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852862018 614370606 /nfs/dbraw/zinc/37/06/06/614370606.db2.gz PZGICHOCDHZADY-HNNXBMFYSA-N 2 1 277.412 0.836 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+](C)CCOC ZINC000104173073 615131299 /nfs/dbraw/zinc/13/12/99/615131299.db2.gz FBXDIZDTJXTENA-CQSZACIVSA-N 3 1 299.463 0.343 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+](C)CCOC ZINC000104173073 615131301 /nfs/dbraw/zinc/13/13/01/615131301.db2.gz FBXDIZDTJXTENA-CQSZACIVSA-N 3 1 299.463 0.343 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+](C)CCOC ZINC000104173073 615131302 /nfs/dbraw/zinc/13/13/02/615131302.db2.gz FBXDIZDTJXTENA-CQSZACIVSA-N 3 1 299.463 0.343 20 30 CCEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000104172418 615204083 /nfs/dbraw/zinc/20/40/83/615204083.db2.gz DFLFMUUEZOCBAC-NSHDSACASA-N 2 1 256.419 0.692 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579335 616067471 /nfs/dbraw/zinc/06/74/71/616067471.db2.gz ZGUJUJBWNZICMY-ZIAGYGMSSA-N 2 1 278.400 0.775 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579335 616067472 /nfs/dbraw/zinc/06/74/72/616067472.db2.gz ZGUJUJBWNZICMY-ZIAGYGMSSA-N 2 1 278.400 0.775 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579335 616067473 /nfs/dbraw/zinc/06/74/73/616067473.db2.gz ZGUJUJBWNZICMY-ZIAGYGMSSA-N 2 1 278.400 0.775 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579335 616067474 /nfs/dbraw/zinc/06/74/74/616067474.db2.gz ZGUJUJBWNZICMY-ZIAGYGMSSA-N 2 1 278.400 0.775 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001022836949 622789275 /nfs/dbraw/zinc/78/92/75/622789275.db2.gz GZTSTCXVFXRTMH-BARDWOONSA-N 2 1 275.396 0.873 20 30 CCEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000195523091 625620431 /nfs/dbraw/zinc/62/04/31/625620431.db2.gz NGACMPMYRZBVDV-OLZOCXBDSA-N 2 1 268.405 0.802 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020591149 624544645 /nfs/dbraw/zinc/54/46/45/624544645.db2.gz GAIAJCWICXAIQP-LPWJVIDDSA-N 2 1 251.374 0.607 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001020720932 624586449 /nfs/dbraw/zinc/58/64/49/624586449.db2.gz GZTSTCXVFXRTMH-ZQDZILKHSA-N 2 1 275.396 0.873 20 30 CCEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021047884 624651261 /nfs/dbraw/zinc/65/12/61/624651261.db2.gz QSAGDCIKAYMUKO-SRVKXCTJSA-N 2 1 271.792 0.927 20 30 CCEDMP N#C[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000903987780 634703264 /nfs/dbraw/zinc/70/32/64/634703264.db2.gz IZLFAZOHHMWSHW-OLZOCXBDSA-N 2 1 264.373 0.419 20 30 CCEDMP N#C[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000903987780 634703273 /nfs/dbraw/zinc/70/32/73/634703273.db2.gz IZLFAZOHHMWSHW-OLZOCXBDSA-N 2 1 264.373 0.419 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001027792218 630920803 /nfs/dbraw/zinc/92/08/03/630920803.db2.gz LWHBISOSKNCGAH-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792218 630920814 /nfs/dbraw/zinc/92/08/14/630920814.db2.gz LWHBISOSKNCGAH-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792218 630920824 /nfs/dbraw/zinc/92/08/24/630920824.db2.gz LWHBISOSKNCGAH-QWHCGFSZSA-N 2 1 251.374 0.847 20 30 CCEDMP C[NH+]=C(NCc1cc(C)no1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083094263 630967937 /nfs/dbraw/zinc/96/79/37/630967937.db2.gz OMGZCQVGHQYWQI-LLVKDONJSA-N 2 1 277.372 0.885 20 30 CCEDMP C[NH+]=C(NCc1cc(C)no1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083094263 630967940 /nfs/dbraw/zinc/96/79/40/630967940.db2.gz OMGZCQVGHQYWQI-LLVKDONJSA-N 2 1 277.372 0.885 20 30 CCEDMP C=CCNC(=[NH+]CC)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261850124 631652493 /nfs/dbraw/zinc/65/24/93/631652493.db2.gz XFAGHYLXCDOSCF-CQSZACIVSA-N 2 1 280.416 0.792 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOC(C)C ZINC000305831327 632538174 /nfs/dbraw/zinc/53/81/74/632538174.db2.gz UJUVBQDAVHVHJB-LBPRGKRZSA-N 2 1 256.394 0.800 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000989480944 633316053 /nfs/dbraw/zinc/31/60/53/633316053.db2.gz NVXHYDRGCBIWSN-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000989480944 633316056 /nfs/dbraw/zinc/31/60/56/633316056.db2.gz NVXHYDRGCBIWSN-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000990570896 633555977 /nfs/dbraw/zinc/55/59/77/633555977.db2.gz RASAJTKVBWEFSY-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000990570896 633555980 /nfs/dbraw/zinc/55/59/80/633555980.db2.gz RASAJTKVBWEFSY-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993759465 637842860 /nfs/dbraw/zinc/84/28/60/637842860.db2.gz LDIVKNWHMJCRSL-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP CC[NH+]=C(NCc1cnn(C)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083126130 638793138 /nfs/dbraw/zinc/79/31/38/638793138.db2.gz ZSUUXRZFHUZRHN-ZDUSSCGKSA-N 2 1 290.415 0.712 20 30 CCEDMP CC[NH+]=C(NCc1cnn(C)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083126130 638793139 /nfs/dbraw/zinc/79/31/39/638793139.db2.gz ZSUUXRZFHUZRHN-ZDUSSCGKSA-N 2 1 290.415 0.712 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCCO1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083131263 638793352 /nfs/dbraw/zinc/79/33/52/638793352.db2.gz RIGULHNKWCOCGO-AAEUAGOBSA-N 2 1 266.389 0.567 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCCO1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083131263 638793355 /nfs/dbraw/zinc/79/33/55/638793355.db2.gz RIGULHNKWCOCGO-AAEUAGOBSA-N 2 1 266.389 0.567 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC)C(C)(C)C1 ZINC000995924540 638804632 /nfs/dbraw/zinc/80/46/32/638804632.db2.gz PVGLMEQAGCGDBK-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC)C(C)(C)C1 ZINC000995924540 638804634 /nfs/dbraw/zinc/80/46/34/638804634.db2.gz PVGLMEQAGCGDBK-UONOGXRCSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000997094949 638852073 /nfs/dbraw/zinc/85/20/73/638852073.db2.gz WZTXICNUXFLRIX-UHFFFAOYSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997299924 638862422 /nfs/dbraw/zinc/86/24/22/638862422.db2.gz RJRSYRDDRDWBMT-LBPRGKRZSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001000521807 639108976 /nfs/dbraw/zinc/10/89/76/639108976.db2.gz OFQQUCYAOJWZQU-CQSZACIVSA-N 2 1 261.369 0.462 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001000521807 639108978 /nfs/dbraw/zinc/10/89/78/639108978.db2.gz OFQQUCYAOJWZQU-CQSZACIVSA-N 2 1 261.369 0.462 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001000521807 639108981 /nfs/dbraw/zinc/10/89/81/639108981.db2.gz OFQQUCYAOJWZQU-CQSZACIVSA-N 2 1 261.369 0.462 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CC#C)CC2)CC1 ZINC001001468730 639303122 /nfs/dbraw/zinc/30/31/22/639303122.db2.gz VAXAFLYUHCAILK-UHFFFAOYSA-N 2 1 299.418 0.713 20 30 CCEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002533523 639425655 /nfs/dbraw/zinc/42/56/55/639425655.db2.gz LXURUAFNLZBNET-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002533523 639425660 /nfs/dbraw/zinc/42/56/60/639425660.db2.gz LXURUAFNLZBNET-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387539 650561390 /nfs/dbraw/zinc/56/13/90/650561390.db2.gz MHCGYJUBBFTZNB-LSDHHAIUSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387539 650561391 /nfs/dbraw/zinc/56/13/91/650561391.db2.gz MHCGYJUBBFTZNB-LSDHHAIUSA-N 2 1 275.396 0.685 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015900079 650652364 /nfs/dbraw/zinc/65/23/64/650652364.db2.gz RZZZAMKYPYAQDM-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015900079 650652365 /nfs/dbraw/zinc/65/23/65/650652365.db2.gz RZZZAMKYPYAQDM-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001016306454 650715228 /nfs/dbraw/zinc/71/52/28/650715228.db2.gz OKWWCPIFLSRUPW-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001016306454 650715231 /nfs/dbraw/zinc/71/52/31/650715231.db2.gz OKWWCPIFLSRUPW-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016306454 650715232 /nfs/dbraw/zinc/71/52/32/650715232.db2.gz OKWWCPIFLSRUPW-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016306454 650715234 /nfs/dbraw/zinc/71/52/34/650715234.db2.gz OKWWCPIFLSRUPW-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC=C)C2)CC1 ZINC001016336231 650720083 /nfs/dbraw/zinc/72/00/83/650720083.db2.gz JTBAZFMALCSJFP-HNNXBMFYSA-N 2 1 275.396 0.708 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001017943962 650836263 /nfs/dbraw/zinc/83/62/63/650836263.db2.gz JGHLMKTWOJGAHD-JONQDZQNSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001017943962 650836267 /nfs/dbraw/zinc/83/62/67/650836267.db2.gz JGHLMKTWOJGAHD-JONQDZQNSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001017943962 650836270 /nfs/dbraw/zinc/83/62/70/650836270.db2.gz JGHLMKTWOJGAHD-JONQDZQNSA-N 2 1 289.423 0.883 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000852866417 644031773 /nfs/dbraw/zinc/03/17/73/644031773.db2.gz WTYIJUCIXNUMFI-HNNXBMFYSA-N 2 1 275.396 0.590 20 30 CCEDMP COCCC[N@@H+](C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852870037 644033329 /nfs/dbraw/zinc/03/33/29/644033329.db2.gz IXBZWTVHJRZCSI-UHFFFAOYSA-N 2 1 281.400 0.074 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020286792 651056249 /nfs/dbraw/zinc/05/62/49/651056249.db2.gz NXCJBQBPIGTKJK-AAVRWANBSA-N 2 1 281.400 0.518 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020286792 651056250 /nfs/dbraw/zinc/05/62/50/651056250.db2.gz NXCJBQBPIGTKJK-AAVRWANBSA-N 2 1 281.400 0.518 20 30 CCEDMP N#Cc1ccc(N2CC[NH+](CCOCC[NH3+])CC2)cn1 ZINC000872146202 646211785 /nfs/dbraw/zinc/21/17/85/646211785.db2.gz HXXDEARMKPBSCU-UHFFFAOYSA-N 2 1 275.356 0.051 20 30 CCEDMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876727105 646650484 /nfs/dbraw/zinc/65/04/84/646650484.db2.gz FCNOMBRWPPFEOI-XJKSGUPXSA-N 2 1 298.390 0.813 20 30 CCEDMP C[C@H](CNC(=[NH2+])NC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000104174557 648204824 /nfs/dbraw/zinc/20/48/24/648204824.db2.gz HFNVAGHJAXSRSU-GFCCVEGCSA-N 2 1 269.437 0.573 20 30 CCEDMP C[C@@H]1C[N@H+](CCC[NH+]=C(N(C)C)N(C)C)C[C@H](C)O1 ZINC000303790530 649825256 /nfs/dbraw/zinc/82/52/56/649825256.db2.gz WHIUROYCTBTKRM-BETUJISGSA-N 2 1 270.421 0.965 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OC)c1 ZINC000303792342 649825318 /nfs/dbraw/zinc/82/53/18/649825318.db2.gz YKBKPGXJDDWCNA-ZDUSSCGKSA-N 2 1 291.399 0.979 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000303882325 649826096 /nfs/dbraw/zinc/82/60/96/649826096.db2.gz LHWODMXLTVJKKQ-UONOGXRCSA-N 2 1 281.448 0.715 20 30 CCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C1CC1)N(C)C ZINC000303882325 649826098 /nfs/dbraw/zinc/82/60/98/649826098.db2.gz LHWODMXLTVJKKQ-UONOGXRCSA-N 2 1 281.448 0.715 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C1CC1)N(C)C ZINC000303882325 649826099 /nfs/dbraw/zinc/82/60/99/649826099.db2.gz LHWODMXLTVJKKQ-UONOGXRCSA-N 2 1 281.448 0.715 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](CC)C1 ZINC000303898047 649826682 /nfs/dbraw/zinc/82/66/82/649826682.db2.gz QZISZITWZNQRRZ-ZIAGYGMSSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)C1 ZINC000303898047 649826683 /nfs/dbraw/zinc/82/66/83/649826683.db2.gz QZISZITWZNQRRZ-ZIAGYGMSSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)C1 ZINC000303898047 649826684 /nfs/dbraw/zinc/82/66/84/649826684.db2.gz QZISZITWZNQRRZ-ZIAGYGMSSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])N2CCOCC2)CC1 ZINC000303911123 649826949 /nfs/dbraw/zinc/82/69/49/649826949.db2.gz ZGSSJBYORLWVEC-UHFFFAOYSA-N 2 1 297.447 0.051 20 30 CCEDMP C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@@H+](C)C1CC1 ZINC000303991484 649827884 /nfs/dbraw/zinc/82/78/84/649827884.db2.gz ZLYBXYFGIAGFHJ-ZDUSSCGKSA-N 2 1 297.447 0.096 20 30 CCEDMP CCN(CC)C(=[NH2+])NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303989582 649827900 /nfs/dbraw/zinc/82/79/00/649827900.db2.gz XQDBJISXBOHNMY-CYBMUJFWSA-N 2 1 297.447 0.586 20 30 CCEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCC1 ZINC000303985530 649828035 /nfs/dbraw/zinc/82/80/35/649828035.db2.gz SYCBGRCYGFJNNS-ZDUSSCGKSA-N 2 1 268.405 0.802 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](C)C1 ZINC000304751637 649838189 /nfs/dbraw/zinc/83/81/89/649838189.db2.gz JMSODNBWLQWCHQ-ZIAGYGMSSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000304751637 649838190 /nfs/dbraw/zinc/83/81/90/649838190.db2.gz JMSODNBWLQWCHQ-ZIAGYGMSSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000304751637 649838191 /nfs/dbraw/zinc/83/81/91/649838191.db2.gz JMSODNBWLQWCHQ-ZIAGYGMSSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOC[C@H]1CCCO1 ZINC000304757118 649838334 /nfs/dbraw/zinc/83/83/34/649838334.db2.gz OJSJPLWOELQKRB-ZIAGYGMSSA-N 2 1 298.431 0.571 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCC1CC1 ZINC000304760886 649838814 /nfs/dbraw/zinc/83/88/14/649838814.db2.gz TUVRLICXKWXEJI-ZDUSSCGKSA-N 2 1 268.405 0.802 20 30 CCEDMP C#CCC[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001266342970 790548081 /nfs/dbraw/zinc/54/80/81/790548081.db2.gz ZWRNWVXVCIUKGX-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001167225369 790709893 /nfs/dbraw/zinc/70/98/93/790709893.db2.gz SSBVAHJHBJDYRH-AWEZNQCLSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266534835 790888357 /nfs/dbraw/zinc/88/83/57/790888357.db2.gz NVONQRACBHJXEH-LBPRGKRZSA-N 2 1 290.367 0.564 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001266551393 790916276 /nfs/dbraw/zinc/91/62/76/790916276.db2.gz QLRAKZMFQFZJSC-ZDUSSCGKSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266551393 790916283 /nfs/dbraw/zinc/91/62/83/790916283.db2.gz QLRAKZMFQFZJSC-ZDUSSCGKSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266551393 790916290 /nfs/dbraw/zinc/91/62/90/790916290.db2.gz QLRAKZMFQFZJSC-ZDUSSCGKSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266593748 790998391 /nfs/dbraw/zinc/99/83/91/790998391.db2.gz VFUDGCQPXDBKOK-KBUPBQIOSA-N 2 1 295.427 0.766 20 30 CCEDMP C[N+](C)(C)C[C@@H](CC#N)Oc1[nH+][nH]cc2nncc1-2 ZINC001230899899 805687270 /nfs/dbraw/zinc/68/72/70/805687270.db2.gz BYVMADLJFALNAA-SECBINFHSA-N 2 1 261.309 0.720 20 30 CCEDMP C#CCOc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1 ZINC001234983883 806327268 /nfs/dbraw/zinc/32/72/68/806327268.db2.gz ZECGZAYLMKGKTB-QGZVFWFLSA-N 2 1 285.391 0.836 20 30 CCEDMP N#Cc1ccc(F)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1F ZINC001234990236 806336679 /nfs/dbraw/zinc/33/66/79/806336679.db2.gz RQYQLHPVIJOVJQ-HNNXBMFYSA-N 2 1 292.333 0.974 20 30 CCEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001277937811 806407735 /nfs/dbraw/zinc/40/77/35/806407735.db2.gz JAJBVPRDIPNEGB-QWHCGFSZSA-N 2 1 253.390 0.951 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235394464 806416768 /nfs/dbraw/zinc/41/67/68/806416768.db2.gz TYBSBKDZPBBSDR-CQSZACIVSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235394464 806416775 /nfs/dbraw/zinc/41/67/75/806416775.db2.gz TYBSBKDZPBBSDR-CQSZACIVSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235394464 806416782 /nfs/dbraw/zinc/41/67/82/806416782.db2.gz TYBSBKDZPBBSDR-CQSZACIVSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235394464 806416787 /nfs/dbraw/zinc/41/67/87/806416787.db2.gz TYBSBKDZPBBSDR-CQSZACIVSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001120624842 798892235 /nfs/dbraw/zinc/89/22/35/798892235.db2.gz TXBSPAFHGLTAOL-OLZOCXBDSA-N 2 1 266.389 0.096 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC001121903510 799088343 /nfs/dbraw/zinc/08/83/43/799088343.db2.gz HVBLAYMBJSBFPR-OLZOCXBDSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC001121903510 799088348 /nfs/dbraw/zinc/08/83/48/799088348.db2.gz HVBLAYMBJSBFPR-OLZOCXBDSA-N 2 1 251.374 0.588 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149848972 800303444 /nfs/dbraw/zinc/30/34/44/800303444.db2.gz QLOZMISAAFEVMP-CABCVRRESA-N 2 1 295.427 0.720 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149889487 800305318 /nfs/dbraw/zinc/30/53/18/800305318.db2.gz OISHPJBEQRBKEN-LSDHHAIUSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150186687 800321904 /nfs/dbraw/zinc/32/19/04/800321904.db2.gz TUBQTHCWEWDWLD-CQSZACIVSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150219230 800324510 /nfs/dbraw/zinc/32/45/10/800324510.db2.gz MMSVRZGEOARAAF-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150547456 800346422 /nfs/dbraw/zinc/34/64/22/800346422.db2.gz SWSXPWSIWJJKLU-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150547456 800346424 /nfs/dbraw/zinc/34/64/24/800346424.db2.gz SWSXPWSIWJJKLU-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150547456 800346435 /nfs/dbraw/zinc/34/64/35/800346435.db2.gz SWSXPWSIWJJKLU-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001151049525 800389546 /nfs/dbraw/zinc/38/95/46/800389546.db2.gz RGVMNLKKKIGIQM-LLVKDONJSA-N 2 1 292.408 0.777 20 30 CCEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152556548 800537140 /nfs/dbraw/zinc/53/71/40/800537140.db2.gz CLWDHZRIDORNMY-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152556548 800537142 /nfs/dbraw/zinc/53/71/42/800537142.db2.gz CLWDHZRIDORNMY-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152556548 800537144 /nfs/dbraw/zinc/53/71/44/800537144.db2.gz CLWDHZRIDORNMY-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152556548 800537145 /nfs/dbraw/zinc/53/71/45/800537145.db2.gz CLWDHZRIDORNMY-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155814531 801057046 /nfs/dbraw/zinc/05/70/46/801057046.db2.gz ZDZUXWAGOWUWGB-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155814530 801057643 /nfs/dbraw/zinc/05/76/43/801057643.db2.gz ZDZUXWAGOWUWGB-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157899324 801512451 /nfs/dbraw/zinc/51/24/51/801512451.db2.gz PGEGLYPZDWEBRI-AWEZNQCLSA-N 2 1 265.401 0.978 20 30 CCEDMP N#Cc1c2c(cnc1N1CC[N@H+]3CC[C@@H]3C1)C[NH2+]CCC2 ZINC001158426275 801645675 /nfs/dbraw/zinc/64/56/75/801645675.db2.gz WNFAZRNZCZGLDP-CYBMUJFWSA-N 2 1 283.379 0.883 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158487416 801659351 /nfs/dbraw/zinc/65/93/51/801659351.db2.gz ZFWOWLLROAHDJX-UONOGXRCSA-N 2 1 281.400 0.522 20 30 CCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC#CCOC ZINC001159335215 801794147 /nfs/dbraw/zinc/79/41/47/801794147.db2.gz VPBAYUVAQLMOOM-OAHLLOKOSA-N 2 1 295.427 0.607 20 30 CCEDMP Cc1nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)cnc1C#N ZINC001160512700 801956638 /nfs/dbraw/zinc/95/66/38/801956638.db2.gz DQDBLIUPKISPHL-CQSZACIVSA-N 2 1 272.356 0.492 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161043104 802074286 /nfs/dbraw/zinc/07/42/86/802074286.db2.gz XXRMUVVVDVCPLN-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872279 802431887 /nfs/dbraw/zinc/43/18/87/802431887.db2.gz MQGOPYDOGBAPPN-NPCAHTBFSA-N 2 1 293.411 0.522 20 30 CCEDMP Cn1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c2cc(C#N)ccc21 ZINC001206534720 803262268 /nfs/dbraw/zinc/26/22/68/803262268.db2.gz AYSIVXGWLYFRMO-LRDDRELGSA-N 2 1 284.363 0.801 20 30 CCEDMP Cn1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c2cc(C#N)ccc21 ZINC001206534720 803262272 /nfs/dbraw/zinc/26/22/72/803262272.db2.gz AYSIVXGWLYFRMO-LRDDRELGSA-N 2 1 284.363 0.801 20 30 CCEDMP C#CCCC[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001209266447 803585555 /nfs/dbraw/zinc/58/55/55/803585555.db2.gz PJZGPVPEOLFBQD-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211371218 803678191 /nfs/dbraw/zinc/67/81/91/803678191.db2.gz NGMWMTMAJPRMMN-CHWSQXEVSA-N 2 1 251.374 0.396 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371218 803678194 /nfs/dbraw/zinc/67/81/94/803678194.db2.gz NGMWMTMAJPRMMN-CHWSQXEVSA-N 2 1 251.374 0.396 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371218 803678197 /nfs/dbraw/zinc/67/81/97/803678197.db2.gz NGMWMTMAJPRMMN-CHWSQXEVSA-N 2 1 251.374 0.396 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342233 803690003 /nfs/dbraw/zinc/69/00/03/803690003.db2.gz MZOOGWVHHWOQTK-ZIAGYGMSSA-N 2 1 293.411 0.167 20 30 CCEDMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@H](C)COC)C1 ZINC000303883321 803759853 /nfs/dbraw/zinc/75/98/53/803759853.db2.gz MBEUGKQRECDHDI-VXGBXAGGSA-N 2 1 256.394 0.658 20 30 CCEDMP CC#CCN1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219054538 804187745 /nfs/dbraw/zinc/18/77/45/804187745.db2.gz FXXBKEMWEPBNIK-LSDHHAIUSA-N 2 1 293.411 0.262 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219825714 804430623 /nfs/dbraw/zinc/43/06/23/804430623.db2.gz IEAGYJIOMXJRRJ-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219825714 804430612 /nfs/dbraw/zinc/43/06/12/804430612.db2.gz IEAGYJIOMXJRRJ-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219825714 804430615 /nfs/dbraw/zinc/43/06/15/804430615.db2.gz IEAGYJIOMXJRRJ-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219825714 804430619 /nfs/dbraw/zinc/43/06/19/804430619.db2.gz IEAGYJIOMXJRRJ-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001220429715 804602555 /nfs/dbraw/zinc/60/25/55/804602555.db2.gz XWUITXVDJIUJRC-HWMZRRJGSA-N 2 1 283.375 0.584 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC001220868402 804685449 /nfs/dbraw/zinc/68/54/49/804685449.db2.gz IFNPYSHCCJABNM-GXTWGEPZSA-N 2 1 251.374 0.895 20 30 CCEDMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001277000883 805083142 /nfs/dbraw/zinc/08/31/42/805083142.db2.gz DVUVYANGRUFEBI-KKUMJFAQSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001277252132 805401709 /nfs/dbraw/zinc/40/17/09/805401709.db2.gz DFEWMTWZAPIOBD-GFCCVEGCSA-N 2 1 267.373 0.132 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001277252132 805401715 /nfs/dbraw/zinc/40/17/15/805401715.db2.gz DFEWMTWZAPIOBD-GFCCVEGCSA-N 2 1 267.373 0.132 20 30 CCEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582645 807302870 /nfs/dbraw/zinc/30/28/70/807302870.db2.gz HEKQDZSMTPJMRB-UGFHNGPFSA-N 2 1 259.353 0.741 20 30 CCEDMP C#CCOC[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001251854585 807722118 /nfs/dbraw/zinc/72/21/18/807722118.db2.gz HNXMDZDCEPAWCU-KBPBESRZSA-N 2 1 252.358 0.025 20 30 CCEDMP C#CCOC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001251854585 807722125 /nfs/dbraw/zinc/72/21/25/807722125.db2.gz HNXMDZDCEPAWCU-KBPBESRZSA-N 2 1 252.358 0.025 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001251854585 807722131 /nfs/dbraw/zinc/72/21/31/807722131.db2.gz HNXMDZDCEPAWCU-KBPBESRZSA-N 2 1 252.358 0.025 20 30 CCEDMP C#CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001251906589 807743505 /nfs/dbraw/zinc/74/35/05/807743505.db2.gz HUDMWTMUGMGZIP-KFWWJZLASA-N 2 1 268.401 0.706 20 30 CCEDMP C=CC[NH+]1CCN(C[C@H](O)C[NH+](CC)CC)CC1 ZINC001253186812 808023454 /nfs/dbraw/zinc/02/34/54/808023454.db2.gz SAEDSBOJVLNPAR-CQSZACIVSA-N 2 1 255.406 0.493 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC[C@@H](O)C[NH+](CC)CC ZINC001253209665 808033235 /nfs/dbraw/zinc/03/32/35/808033235.db2.gz CWSXOUDQCQCKKV-LSDHHAIUSA-N 2 1 269.433 0.929 20 30 CCEDMP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255670819 808420648 /nfs/dbraw/zinc/42/06/48/808420648.db2.gz BBPCVSAZFXTIRC-ZZIFITQXSA-N 2 1 267.373 0.827 20 30 CCEDMP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255670819 808420655 /nfs/dbraw/zinc/42/06/55/808420655.db2.gz BBPCVSAZFXTIRC-ZZIFITQXSA-N 2 1 267.373 0.827 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001279205018 808532094 /nfs/dbraw/zinc/53/20/94/808532094.db2.gz RMLKAVVTPVWRGZ-UONOGXRCSA-N 2 1 265.401 0.644 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001262582789 809356426 /nfs/dbraw/zinc/35/64/26/809356426.db2.gz FOVDCJAIBGCOAE-GDBMZVCRSA-N 2 1 292.427 0.773 20 30 CCEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001264408302 809652922 /nfs/dbraw/zinc/65/29/22/809652922.db2.gz BZKALGDTRPYORG-GASCZTMLSA-N 2 1 295.427 0.462 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001265289803 809748216 /nfs/dbraw/zinc/74/82/16/809748216.db2.gz CWVBHMNUJAUTMO-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001265289803 809748220 /nfs/dbraw/zinc/74/82/20/809748220.db2.gz CWVBHMNUJAUTMO-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001265289803 809748228 /nfs/dbraw/zinc/74/82/28/809748228.db2.gz CWVBHMNUJAUTMO-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001265289803 809748238 /nfs/dbraw/zinc/74/82/38/809748238.db2.gz CWVBHMNUJAUTMO-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001265370321 809767157 /nfs/dbraw/zinc/76/71/57/809767157.db2.gz OUHQNAFYIZTKPU-OCCSQVGLSA-N 2 1 263.385 0.446 20 30 CCEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001265507163 809794624 /nfs/dbraw/zinc/79/46/24/809794624.db2.gz GMMKVFLNDZOHLF-RBSFLKMASA-N 2 1 295.427 0.910 20 30 CCEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001265507163 809794630 /nfs/dbraw/zinc/79/46/30/809794630.db2.gz GMMKVFLNDZOHLF-RBSFLKMASA-N 2 1 295.427 0.910 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265895358 809886286 /nfs/dbraw/zinc/88/62/86/809886286.db2.gz JYLMZRHVBKLPGK-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001265914817 809893538 /nfs/dbraw/zinc/89/35/38/809893538.db2.gz XOLQETTXUYIYEJ-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001267327566 811160906 /nfs/dbraw/zinc/16/09/06/811160906.db2.gz RVHLDQNWADPFFR-CYBMUJFWSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001267570483 811458892 /nfs/dbraw/zinc/45/88/92/811458892.db2.gz AQJHBJDARSVXGL-HNNXBMFYSA-N 2 1 277.412 0.934 20 30 CCEDMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267815239 811808959 /nfs/dbraw/zinc/80/89/59/811808959.db2.gz MGVSMOOPYMEBNS-STQMWFEESA-N 2 1 251.374 0.588 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268057844 812158932 /nfs/dbraw/zinc/15/89/32/812158932.db2.gz RWYOMCHAYKEAGN-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268057844 812158937 /nfs/dbraw/zinc/15/89/37/812158937.db2.gz RWYOMCHAYKEAGN-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001268278539 812441040 /nfs/dbraw/zinc/44/10/40/812441040.db2.gz GBFFZKIOYXADAH-KBPBESRZSA-N 2 1 274.368 0.699 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268305678 812469980 /nfs/dbraw/zinc/46/99/80/812469980.db2.gz SQDWKFMAZGIPJA-GJZGRUSLSA-N 2 1 297.443 0.892 20 30 CCEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268400205 812545282 /nfs/dbraw/zinc/54/52/82/812545282.db2.gz SQTVCBSVYOYHIU-TZMCWYRMSA-N 2 1 288.395 0.872 20 30 CCEDMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001268423974 812560313 /nfs/dbraw/zinc/56/03/13/812560313.db2.gz MAFLAOXOXSMWMI-OLZOCXBDSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268423974 812560316 /nfs/dbraw/zinc/56/03/16/812560316.db2.gz MAFLAOXOXSMWMI-OLZOCXBDSA-N 2 1 269.389 0.378 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028444908 812710406 /nfs/dbraw/zinc/71/04/06/812710406.db2.gz IGWWOAZOPDWDIW-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001028444908 812710408 /nfs/dbraw/zinc/71/04/08/812710408.db2.gz IGWWOAZOPDWDIW-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001028444908 812710411 /nfs/dbraw/zinc/71/04/11/812710411.db2.gz IGWWOAZOPDWDIW-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028544583 812832283 /nfs/dbraw/zinc/83/22/83/812832283.db2.gz GFOAVYHXSUFHRG-ZBFHGGJFSA-N 2 1 289.423 0.790 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268711186 813025723 /nfs/dbraw/zinc/02/57/23/813025723.db2.gz CJPSKXGSNSMZEL-QWHCGFSZSA-N 2 1 251.374 0.446 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001269084517 813209950 /nfs/dbraw/zinc/20/99/50/813209950.db2.gz VMKIPMSKGFKCHO-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001269084517 813209953 /nfs/dbraw/zinc/20/99/53/813209953.db2.gz VMKIPMSKGFKCHO-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CC[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001269095225 813213112 /nfs/dbraw/zinc/21/31/12/813213112.db2.gz ONTDXXGPMRVHSF-ZDUSSCGKSA-N 2 1 262.357 0.862 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001269193882 813257278 /nfs/dbraw/zinc/25/72/78/813257278.db2.gz VHDOCFAIKQZTCX-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001269510646 813398332 /nfs/dbraw/zinc/39/83/32/813398332.db2.gz RXJQSWHUTBNQSD-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001270389609 813742794 /nfs/dbraw/zinc/74/27/94/813742794.db2.gz ULLQWZMGKTYEMX-CABCVRRESA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001270389609 813742797 /nfs/dbraw/zinc/74/27/97/813742797.db2.gz ULLQWZMGKTYEMX-CABCVRRESA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001270421320 813758755 /nfs/dbraw/zinc/75/87/55/813758755.db2.gz DBYZYNJBMKRAMD-LSDHHAIUSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001270691753 813895555 /nfs/dbraw/zinc/89/55/55/813895555.db2.gz MBXZHASLQNYIMJ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001270691753 813895567 /nfs/dbraw/zinc/89/55/67/813895567.db2.gz MBXZHASLQNYIMJ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001271816142 814591932 /nfs/dbraw/zinc/59/19/32/814591932.db2.gz WFQLCMYETDHUIH-ZIAGYGMSSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001168241496 814919203 /nfs/dbraw/zinc/91/92/03/814919203.db2.gz YRUCYGPAHDEUAL-CQSZACIVSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168241496 814919206 /nfs/dbraw/zinc/91/92/06/814919206.db2.gz YRUCYGPAHDEUAL-CQSZACIVSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031667089 817229488 /nfs/dbraw/zinc/22/94/88/817229488.db2.gz XMFYYSUBNCYTCG-HNNXBMFYSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124837848 817592253 /nfs/dbraw/zinc/59/22/53/817592253.db2.gz PPLMWCLADBCMOJ-SNVBAGLBSA-N 2 1 290.205 0.695 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186208 817683900 /nfs/dbraw/zinc/68/39/00/817683900.db2.gz LAOWEWRORYOPMC-CYBMUJFWSA-N 2 1 251.374 0.562 20 30 CCEDMP C#CCN1C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001273030905 818487256 /nfs/dbraw/zinc/48/72/56/818487256.db2.gz QXVGLXLNILQYJR-LSDHHAIUSA-N 2 1 297.349 0.194 20 30 CCEDMP C#CCN1C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001273030905 818487259 /nfs/dbraw/zinc/48/72/59/818487259.db2.gz QXVGLXLNILQYJR-LSDHHAIUSA-N 2 1 297.349 0.194 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033267539 818682771 /nfs/dbraw/zinc/68/27/71/818682771.db2.gz USHWBLDZKYQNOQ-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033267539 818682780 /nfs/dbraw/zinc/68/27/80/818682780.db2.gz USHWBLDZKYQNOQ-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033419060 818764478 /nfs/dbraw/zinc/76/44/78/818764478.db2.gz GNWRMPYIWVVNMY-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033419060 818764484 /nfs/dbraw/zinc/76/44/84/818764484.db2.gz GNWRMPYIWVVNMY-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033419060 818764493 /nfs/dbraw/zinc/76/44/93/818764493.db2.gz GNWRMPYIWVVNMY-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580454 818836181 /nfs/dbraw/zinc/83/61/81/818836181.db2.gz FBKXGBSZEVAFGZ-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033580454 818836183 /nfs/dbraw/zinc/83/61/83/818836183.db2.gz FBKXGBSZEVAFGZ-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033580454 818836187 /nfs/dbraw/zinc/83/61/87/818836187.db2.gz FBKXGBSZEVAFGZ-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033583634 818845621 /nfs/dbraw/zinc/84/56/21/818845621.db2.gz WZWUJHAUJHHSFB-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033583634 818845627 /nfs/dbraw/zinc/84/56/27/818845627.db2.gz WZWUJHAUJHHSFB-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033583634 818845634 /nfs/dbraw/zinc/84/56/34/818845634.db2.gz WZWUJHAUJHHSFB-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034149691 819097144 /nfs/dbraw/zinc/09/71/44/819097144.db2.gz ZFXWIZZHHLJPDD-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034149691 819097145 /nfs/dbraw/zinc/09/71/45/819097145.db2.gz ZFXWIZZHHLJPDD-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149691 819097149 /nfs/dbraw/zinc/09/71/49/819097149.db2.gz ZFXWIZZHHLJPDD-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149691 819097152 /nfs/dbraw/zinc/09/71/52/819097152.db2.gz ZFXWIZZHHLJPDD-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034395640 819194252 /nfs/dbraw/zinc/19/42/52/819194252.db2.gz AKGMAXUOUCJITB-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034395640 819194256 /nfs/dbraw/zinc/19/42/56/819194256.db2.gz AKGMAXUOUCJITB-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034395640 819194260 /nfs/dbraw/zinc/19/42/60/819194260.db2.gz AKGMAXUOUCJITB-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001035613911 819589429 /nfs/dbraw/zinc/58/94/29/819589429.db2.gz MKGZOPLICOZHAI-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035613911 819589436 /nfs/dbraw/zinc/58/94/36/819589436.db2.gz MKGZOPLICOZHAI-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035613911 819589441 /nfs/dbraw/zinc/58/94/41/819589441.db2.gz MKGZOPLICOZHAI-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001036216050 819713656 /nfs/dbraw/zinc/71/36/56/819713656.db2.gz BWCRKSQFLHPIRI-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182390 820087059 /nfs/dbraw/zinc/08/70/59/820087059.db2.gz GOTRWWADDCQVAI-OAHLLOKOSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079526873 820422674 /nfs/dbraw/zinc/42/26/74/820422674.db2.gz VOIPFRRYMGLJLL-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079526873 820422681 /nfs/dbraw/zinc/42/26/81/820422681.db2.gz VOIPFRRYMGLJLL-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079526873 820422688 /nfs/dbraw/zinc/42/26/88/820422688.db2.gz VOIPFRRYMGLJLL-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079526873 820422693 /nfs/dbraw/zinc/42/26/93/820422693.db2.gz VOIPFRRYMGLJLL-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079709213 820456157 /nfs/dbraw/zinc/45/61/57/820456157.db2.gz SZHUBJCFUNZELE-BPLDGKMQSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079940356 820493966 /nfs/dbraw/zinc/49/39/66/820493966.db2.gz HUNWBYRLZBXJSD-HUUCEWRRSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC2)C1 ZINC001082567996 821000374 /nfs/dbraw/zinc/00/03/74/821000374.db2.gz QQUXMYUCPFQZIY-BMFZPTHFSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC2)C1 ZINC001082567996 821000385 /nfs/dbraw/zinc/00/03/85/821000385.db2.gz QQUXMYUCPFQZIY-BMFZPTHFSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082859751 821048391 /nfs/dbraw/zinc/04/83/91/821048391.db2.gz CJZSOBJVAWAVFY-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084449298 821290865 /nfs/dbraw/zinc/29/08/65/821290865.db2.gz ZHEPDTQBDOCRPF-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084449298 821290871 /nfs/dbraw/zinc/29/08/71/821290871.db2.gz ZHEPDTQBDOCRPF-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084639572 821333444 /nfs/dbraw/zinc/33/34/44/821333444.db2.gz XWWGDKQSQPSPEE-RBSFLKMASA-N 2 1 277.412 0.739 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084639572 821333453 /nfs/dbraw/zinc/33/34/53/821333453.db2.gz XWWGDKQSQPSPEE-RBSFLKMASA-N 2 1 277.412 0.739 20 30 CCEDMP C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084830578 821404687 /nfs/dbraw/zinc/40/46/87/821404687.db2.gz ZKNXTJYBFCFTRK-MGPQQGTHSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084830578 821404693 /nfs/dbraw/zinc/40/46/93/821404693.db2.gz ZKNXTJYBFCFTRK-MGPQQGTHSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084830578 821404696 /nfs/dbraw/zinc/40/46/96/821404696.db2.gz ZKNXTJYBFCFTRK-MGPQQGTHSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830578 821404701 /nfs/dbraw/zinc/40/47/01/821404701.db2.gz ZKNXTJYBFCFTRK-MGPQQGTHSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830578 821404707 /nfs/dbraw/zinc/40/47/07/821404707.db2.gz ZKNXTJYBFCFTRK-MGPQQGTHSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001084833073 821406266 /nfs/dbraw/zinc/40/62/66/821406266.db2.gz NOBLHIKJELVIQH-HUUCEWRRSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001084833073 821406272 /nfs/dbraw/zinc/40/62/72/821406272.db2.gz NOBLHIKJELVIQH-HUUCEWRRSA-N 2 1 286.379 0.748 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001273292516 821552936 /nfs/dbraw/zinc/55/29/36/821552936.db2.gz WPUJENQWGOSFNF-CQSZACIVSA-N 2 1 290.367 0.032 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001086085558 822105882 /nfs/dbraw/zinc/10/58/82/822105882.db2.gz JHOHKKUZDBVSBE-JONQDZQNSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC)C1 ZINC001086109886 822116665 /nfs/dbraw/zinc/11/66/65/822116665.db2.gz JWMOOFZAVIDXGG-ZNMIVQPWSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC)C1 ZINC001086109886 822116669 /nfs/dbraw/zinc/11/66/69/822116669.db2.gz JWMOOFZAVIDXGG-ZNMIVQPWSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086177169 822144235 /nfs/dbraw/zinc/14/42/35/822144235.db2.gz JICKKQWVTRCXKD-ZNMIVQPWSA-N 2 1 293.411 0.213 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC(C)C ZINC001129790584 837556700 /nfs/dbraw/zinc/55/67/00/837556700.db2.gz CHPDPPFIYICHOA-AWEZNQCLSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC(C)C ZINC001129790584 837556704 /nfs/dbraw/zinc/55/67/04/837556704.db2.gz CHPDPPFIYICHOA-AWEZNQCLSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108394860 836001915 /nfs/dbraw/zinc/00/19/15/836001915.db2.gz LJYFRPRJCYJFII-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394860 836001924 /nfs/dbraw/zinc/00/19/24/836001924.db2.gz LJYFRPRJCYJFII-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394860 836001933 /nfs/dbraw/zinc/00/19/33/836001933.db2.gz LJYFRPRJCYJFII-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001113345810 837097359 /nfs/dbraw/zinc/09/73/59/837097359.db2.gz GSDUWMKPBRSVLN-LSDHHAIUSA-N 2 1 295.427 0.531 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001113345810 837097368 /nfs/dbraw/zinc/09/73/68/837097368.db2.gz GSDUWMKPBRSVLN-LSDHHAIUSA-N 2 1 295.427 0.531 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133908565 838773468 /nfs/dbraw/zinc/77/34/68/838773468.db2.gz XFUXVADAGFGUMU-UHFFFAOYSA-N 2 1 253.390 0.693 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001133917498 838778952 /nfs/dbraw/zinc/77/89/52/838778952.db2.gz ANNWAHWEQRCBBI-UHFFFAOYSA-N 2 1 287.407 0.890 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135030015 839142125 /nfs/dbraw/zinc/14/21/25/839142125.db2.gz WISLHVDELQDZPH-NEPJUHHUSA-N 2 1 262.357 0.698 20 30 CCEDMP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135676021 839353036 /nfs/dbraw/zinc/35/30/36/839353036.db2.gz ORYMANUEBXXMFL-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135979182 839487084 /nfs/dbraw/zinc/48/70/84/839487084.db2.gz DAHXSYSEJNNUPR-HUUCEWRRSA-N 2 1 297.443 0.851 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090674502 839722587 /nfs/dbraw/zinc/72/25/87/839722587.db2.gz WCHGIJLVCWNOHE-LSDHHAIUSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCN1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C1=O ZINC001246362274 839820480 /nfs/dbraw/zinc/82/04/80/839820480.db2.gz KQDCXYDOGRFTHC-XQQFMLRXSA-N 2 1 251.374 0.894 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090817909 839832410 /nfs/dbraw/zinc/83/24/10/839832410.db2.gz UBIJGWYTTNGXMI-KGLIPLIRSA-N 2 1 281.400 0.210 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543728 840261653 /nfs/dbraw/zinc/26/16/53/840261653.db2.gz ODLAGGNSYXRLCL-INMHGKMJSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091543728 840261661 /nfs/dbraw/zinc/26/16/61/840261661.db2.gz ODLAGGNSYXRLCL-INMHGKMJSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091543728 840261674 /nfs/dbraw/zinc/26/16/74/840261674.db2.gz ODLAGGNSYXRLCL-INMHGKMJSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193400 841171676 /nfs/dbraw/zinc/17/16/76/841171676.db2.gz ICKQPXAHOCSJDD-HZSPNIEDSA-N 2 1 265.401 0.808 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093193400 841171688 /nfs/dbraw/zinc/17/16/88/841171688.db2.gz ICKQPXAHOCSJDD-HZSPNIEDSA-N 2 1 265.401 0.808 20 30 CCEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093193400 841171698 /nfs/dbraw/zinc/17/16/98/841171698.db2.gz ICKQPXAHOCSJDD-HZSPNIEDSA-N 2 1 265.401 0.808 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093194918 841172409 /nfs/dbraw/zinc/17/24/09/841172409.db2.gz GMZSKJLMVSPXKI-QLFBSQMISA-N 2 1 277.412 0.646 20 30 CCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093194918 841172411 /nfs/dbraw/zinc/17/24/11/841172411.db2.gz GMZSKJLMVSPXKI-QLFBSQMISA-N 2 1 277.412 0.646 20 30 CCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093194918 841172412 /nfs/dbraw/zinc/17/24/12/841172412.db2.gz GMZSKJLMVSPXKI-QLFBSQMISA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773664 841192735 /nfs/dbraw/zinc/19/27/35/841192735.db2.gz QOSMWIPHIWBMTG-GJZGRUSLSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773664 841192738 /nfs/dbraw/zinc/19/27/38/841192738.db2.gz QOSMWIPHIWBMTG-GJZGRUSLSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203337534 841775421 /nfs/dbraw/zinc/77/54/21/841775421.db2.gz KOQDJNVVLRZZFA-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179925276 843081415 /nfs/dbraw/zinc/08/14/15/843081415.db2.gz OAGMNGKATQUEAO-ZNMIVQPWSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001203708872 845199791 /nfs/dbraw/zinc/19/97/91/845199791.db2.gz GAEOPZQMSZLPTN-UHFFFAOYSA-N 2 1 274.368 0.795 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191802438 845741551 /nfs/dbraw/zinc/74/15/51/845741551.db2.gz RJCLKTFIJHZAFI-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191802438 845741558 /nfs/dbraw/zinc/74/15/58/845741558.db2.gz RJCLKTFIJHZAFI-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191802438 845741565 /nfs/dbraw/zinc/74/15/65/845741565.db2.gz RJCLKTFIJHZAFI-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191802438 845741573 /nfs/dbraw/zinc/74/15/73/845741573.db2.gz RJCLKTFIJHZAFI-MGPQQGTHSA-N 2 1 281.400 0.208 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192969383 845957585 /nfs/dbraw/zinc/95/75/85/845957585.db2.gz IYXBKQQILHZHDO-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192969382 845957666 /nfs/dbraw/zinc/95/76/66/845957666.db2.gz IYXBKQQILHZHDO-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193791336 846152978 /nfs/dbraw/zinc/15/29/78/846152978.db2.gz JQURJRMEKAAAQP-MGPQQGTHSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196130956 846688228 /nfs/dbraw/zinc/68/82/28/846688228.db2.gz NBDWPLJYDVJXLG-QLFBSQMISA-N 2 1 297.443 0.844 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001196500423 846765456 /nfs/dbraw/zinc/76/54/56/846765456.db2.gz UFBHVKGQXQJIRC-MGPQQGTHSA-N 2 1 290.367 0.019 20 30 CCEDMP CC[C@@H](C(=O)N1CCC[N@@H+](CC#CCOC)CC1)[NH+](C)C ZINC001197172135 846867383 /nfs/dbraw/zinc/86/73/83/846867383.db2.gz HGFOEKDEJSYZOY-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200807044 847694462 /nfs/dbraw/zinc/69/44/62/847694462.db2.gz UVFWRZGHZWRGGM-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202165035 847862307 /nfs/dbraw/zinc/86/23/07/847862307.db2.gz PCRSWUCBHLWJLK-AWEZNQCLSA-N 2 1 281.400 0.167 20 30 CCEDMP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001273958079 847971737 /nfs/dbraw/zinc/97/17/37/847971737.db2.gz HJVJHSMYEHROAP-ZDUSSCGKSA-N 2 1 281.400 0.522 20 30 CCEDMP C#CC[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001274105173 848349917 /nfs/dbraw/zinc/34/99/17/848349917.db2.gz HEFBKANZQJNDJN-NNTXTVRGSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC[C@H](C)O ZINC001274791362 848566795 /nfs/dbraw/zinc/56/67/95/848566795.db2.gz HAVVUONXMFUZFK-ILXRZTDVSA-N 2 1 295.427 0.339 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC[C@H](C)O ZINC001274791362 848566798 /nfs/dbraw/zinc/56/67/98/848566798.db2.gz HAVVUONXMFUZFK-ILXRZTDVSA-N 2 1 295.427 0.339 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC#CCOC ZINC001275689532 848791951 /nfs/dbraw/zinc/79/19/51/848791951.db2.gz HXECUUZESBACNN-AWEZNQCLSA-N 2 1 283.416 0.415 20 30 CCEDMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)CC#CCOC ZINC001275689532 848791954 /nfs/dbraw/zinc/79/19/54/848791954.db2.gz HXECUUZESBACNN-AWEZNQCLSA-N 2 1 283.416 0.415 20 30 CCEDMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)CC#CCOC ZINC001275689532 848791959 /nfs/dbraw/zinc/79/19/59/848791959.db2.gz HXECUUZESBACNN-AWEZNQCLSA-N 2 1 283.416 0.415 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001039039070 850133630 /nfs/dbraw/zinc/13/36/30/850133630.db2.gz KNOUFEJNPBQATR-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001039039070 850133641 /nfs/dbraw/zinc/13/36/41/850133641.db2.gz KNOUFEJNPBQATR-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039039070 850133647 /nfs/dbraw/zinc/13/36/47/850133647.db2.gz KNOUFEJNPBQATR-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039039070 850133657 /nfs/dbraw/zinc/13/36/57/850133657.db2.gz KNOUFEJNPBQATR-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046839283 851626503 /nfs/dbraw/zinc/62/65/03/851626503.db2.gz QEXSQJZDWJJXCH-HIFRSBDPSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046839283 851626494 /nfs/dbraw/zinc/62/64/94/851626494.db2.gz QEXSQJZDWJJXCH-HIFRSBDPSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046839283 851626499 /nfs/dbraw/zinc/62/64/99/851626499.db2.gz QEXSQJZDWJJXCH-HIFRSBDPSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047483376 851780432 /nfs/dbraw/zinc/78/04/32/851780432.db2.gz ILJUMKPAGFEHTC-KBPBESRZSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047483376 851780439 /nfs/dbraw/zinc/78/04/39/851780439.db2.gz ILJUMKPAGFEHTC-KBPBESRZSA-N 2 1 295.427 0.550 20 30 CCEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096356536 851952399 /nfs/dbraw/zinc/95/23/99/851952399.db2.gz TWFPGWZDDHEBJA-ILXRZTDVSA-N 2 1 287.407 0.827 20 30 CCEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096356536 851952402 /nfs/dbraw/zinc/95/24/02/851952402.db2.gz TWFPGWZDDHEBJA-ILXRZTDVSA-N 2 1 287.407 0.827 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058483 852148704 /nfs/dbraw/zinc/14/87/04/852148704.db2.gz DRJARTMDRRHXQC-HRCADAONSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058483 852148713 /nfs/dbraw/zinc/14/87/13/852148713.db2.gz DRJARTMDRRHXQC-HRCADAONSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058483 852148718 /nfs/dbraw/zinc/14/87/18/852148718.db2.gz DRJARTMDRRHXQC-HRCADAONSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001096543583 852304123 /nfs/dbraw/zinc/30/41/23/852304123.db2.gz YAYQKZXGIJAJRI-CRWXNKLISA-N 2 1 261.369 0.293 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001096543583 852304126 /nfs/dbraw/zinc/30/41/26/852304126.db2.gz YAYQKZXGIJAJRI-CRWXNKLISA-N 2 1 261.369 0.293 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001096543583 852304130 /nfs/dbraw/zinc/30/41/30/852304130.db2.gz YAYQKZXGIJAJRI-CRWXNKLISA-N 2 1 261.369 0.293 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001096543583 852304134 /nfs/dbraw/zinc/30/41/34/852304134.db2.gz YAYQKZXGIJAJRI-CRWXNKLISA-N 2 1 261.369 0.293 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001052948418 852675021 /nfs/dbraw/zinc/67/50/21/852675021.db2.gz FMTJERDSXWBRQG-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052948418 852675022 /nfs/dbraw/zinc/67/50/22/852675022.db2.gz FMTJERDSXWBRQG-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052948418 852675026 /nfs/dbraw/zinc/67/50/26/852675026.db2.gz FMTJERDSXWBRQG-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052948418 852675029 /nfs/dbraw/zinc/67/50/29/852675029.db2.gz FMTJERDSXWBRQG-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001050202907 853336661 /nfs/dbraw/zinc/33/66/61/853336661.db2.gz XITARZZZJFUHAH-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001050202907 853336672 /nfs/dbraw/zinc/33/66/72/853336672.db2.gz XITARZZZJFUHAH-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071796167 854294843 /nfs/dbraw/zinc/29/48/43/854294843.db2.gz QBINWEUFWLRSCR-DZGCQCFKSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001072983288 854509022 /nfs/dbraw/zinc/50/90/22/854509022.db2.gz QOFHQSIYKBLARI-UONOGXRCSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072983288 854509026 /nfs/dbraw/zinc/50/90/26/854509026.db2.gz QOFHQSIYKBLARI-UONOGXRCSA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072983288 854509034 /nfs/dbraw/zinc/50/90/34/854509034.db2.gz QOFHQSIYKBLARI-UONOGXRCSA-N 2 1 277.412 0.904 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001073036456 854519121 /nfs/dbraw/zinc/51/91/21/854519121.db2.gz AXTCBKBPSWTWQN-UHFFFAOYSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099874349 855015785 /nfs/dbraw/zinc/01/57/85/855015785.db2.gz JWJMBNOOPJSUJQ-KGLIPLIRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099898829 855023458 /nfs/dbraw/zinc/02/34/58/855023458.db2.gz INQWLCAZEBXSGG-CHWSQXEVSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898829 855023463 /nfs/dbraw/zinc/02/34/63/855023463.db2.gz INQWLCAZEBXSGG-CHWSQXEVSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898829 855023470 /nfs/dbraw/zinc/02/34/70/855023470.db2.gz INQWLCAZEBXSGG-CHWSQXEVSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100064704 855090258 /nfs/dbraw/zinc/09/02/58/855090258.db2.gz QCTYMBWFJILXGL-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100064704 855090265 /nfs/dbraw/zinc/09/02/65/855090265.db2.gz QCTYMBWFJILXGL-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100064704 855090272 /nfs/dbraw/zinc/09/02/72/855090272.db2.gz QCTYMBWFJILXGL-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102377035 855431796 /nfs/dbraw/zinc/43/17/96/855431796.db2.gz KOQIVJBOWLNAEF-MCIONIFRSA-N 2 1 265.401 0.644 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115462106 855674658 /nfs/dbraw/zinc/67/46/58/855674658.db2.gz ROQCSTFCVZUSMA-CQSZACIVSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115462106 855674662 /nfs/dbraw/zinc/67/46/62/855674662.db2.gz ROQCSTFCVZUSMA-CQSZACIVSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001120496902 857092846 /nfs/dbraw/zinc/09/28/46/857092846.db2.gz NBSMROYWQJROAB-CYBMUJFWSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001325596094 913483504 /nfs/dbraw/zinc/48/35/04/913483504.db2.gz NMLKJFHXERAJEY-GXTWGEPZSA-N 2 1 274.368 0.509 20 30 CCEDMP C=CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001325832115 913601898 /nfs/dbraw/zinc/60/18/98/913601898.db2.gz BBJBJSXWYLWVDO-IIAWOOMASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325832115 913601906 /nfs/dbraw/zinc/60/19/06/913601906.db2.gz BBJBJSXWYLWVDO-IIAWOOMASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001325832115 913601917 /nfs/dbraw/zinc/60/19/17/913601917.db2.gz BBJBJSXWYLWVDO-IIAWOOMASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001480947214 891927434 /nfs/dbraw/zinc/92/74/34/891927434.db2.gz NAHQLQHWGZLCKK-ZDUSSCGKSA-N 2 1 269.389 0.189 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482284316 893771929 /nfs/dbraw/zinc/77/19/29/893771929.db2.gz MUTLUGBWMGSLGS-KGLIPLIRSA-N 2 1 265.401 0.929 20 30 CCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001482603063 894389580 /nfs/dbraw/zinc/38/95/80/894389580.db2.gz RRFHNZNLVYPFGV-UHFFFAOYSA-N 2 1 295.427 0.511 20 30 CCEDMP COCC#CC[NH+](C)CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001482603063 894389593 /nfs/dbraw/zinc/38/95/93/894389593.db2.gz RRFHNZNLVYPFGV-UHFFFAOYSA-N 2 1 295.427 0.511 20 30 CCEDMP COCC#CC[NH+](C)CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001482603063 894389610 /nfs/dbraw/zinc/38/96/10/894389610.db2.gz RRFHNZNLVYPFGV-UHFFFAOYSA-N 2 1 295.427 0.511 20 30 CCEDMP C#CCC[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482628174 894430298 /nfs/dbraw/zinc/43/02/98/894430298.db2.gz GTYJCPRUQTVEJL-AWEZNQCLSA-N 2 1 265.401 0.742 20 30 CCEDMP C#CCC[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001482628174 894430303 /nfs/dbraw/zinc/43/03/03/894430303.db2.gz GTYJCPRUQTVEJL-AWEZNQCLSA-N 2 1 265.401 0.742 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001482628174 894430311 /nfs/dbraw/zinc/43/03/11/894430311.db2.gz GTYJCPRUQTVEJL-AWEZNQCLSA-N 2 1 265.401 0.742 20 30 CCEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001482848429 894647707 /nfs/dbraw/zinc/64/77/07/894647707.db2.gz ZOJBESAADQCNPM-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506748409 894888849 /nfs/dbraw/zinc/88/88/49/894888849.db2.gz KKSCCWSZXMDLSO-CQSZACIVSA-N 2 1 297.443 0.967 20 30 CCEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001483382778 895524114 /nfs/dbraw/zinc/52/41/14/895524114.db2.gz DBHUMLFBSADDAZ-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483382778 895524121 /nfs/dbraw/zinc/52/41/21/895524121.db2.gz DBHUMLFBSADDAZ-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483382778 895524128 /nfs/dbraw/zinc/52/41/28/895524128.db2.gz DBHUMLFBSADDAZ-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001483382784 895525783 /nfs/dbraw/zinc/52/57/83/895525783.db2.gz DBHUMLFBSADDAZ-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483382784 895525789 /nfs/dbraw/zinc/52/57/89/895525789.db2.gz DBHUMLFBSADDAZ-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483382784 895525795 /nfs/dbraw/zinc/52/57/95/895525795.db2.gz DBHUMLFBSADDAZ-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484305884 896335573 /nfs/dbraw/zinc/33/55/73/896335573.db2.gz QESVXQMDEKWDCM-UHFFFAOYSA-N 2 1 293.411 0.211 20 30 CCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001484501853 896446466 /nfs/dbraw/zinc/44/64/66/896446466.db2.gz LQWHCJWGFGJEAB-HNNXBMFYSA-N 2 1 297.443 0.847 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001485621992 897153472 /nfs/dbraw/zinc/15/34/72/897153472.db2.gz BJOLFDCDGFLJCE-YHUYYLMFSA-N 2 1 289.423 0.646 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001485621992 897153479 /nfs/dbraw/zinc/15/34/79/897153479.db2.gz BJOLFDCDGFLJCE-YHUYYLMFSA-N 2 1 289.423 0.646 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001485621992 897153483 /nfs/dbraw/zinc/15/34/83/897153483.db2.gz BJOLFDCDGFLJCE-YHUYYLMFSA-N 2 1 289.423 0.646 20 30 CCEDMP C#CC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001485665436 897167971 /nfs/dbraw/zinc/16/79/71/897167971.db2.gz MKZFHEUMUSXLFX-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485665436 897167976 /nfs/dbraw/zinc/16/79/76/897167976.db2.gz MKZFHEUMUSXLFX-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485665436 897167984 /nfs/dbraw/zinc/16/79/84/897167984.db2.gz MKZFHEUMUSXLFX-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+](C)C1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001485763761 897228981 /nfs/dbraw/zinc/22/89/81/897228981.db2.gz FRZVXVVDGTUBOE-UHFFFAOYSA-N 2 1 274.368 0.898 20 30 CCEDMP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001032588290 897782544 /nfs/dbraw/zinc/78/25/44/897782544.db2.gz OCCDVKWKEIJIKK-KKUMJFAQSA-N 2 1 293.411 0.567 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183530 898279225 /nfs/dbraw/zinc/27/92/25/898279225.db2.gz WDICYEOGMMDTGO-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183530 898279240 /nfs/dbraw/zinc/27/92/40/898279240.db2.gz WDICYEOGMMDTGO-ZIAGYGMSSA-N 2 1 292.383 0.319 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCF ZINC001485887279 898487723 /nfs/dbraw/zinc/48/77/23/898487723.db2.gz WEIFMCFMPUGPNZ-OLZOCXBDSA-N 2 1 269.364 0.490 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCF ZINC001485887279 898487726 /nfs/dbraw/zinc/48/77/26/898487726.db2.gz WEIFMCFMPUGPNZ-OLZOCXBDSA-N 2 1 269.364 0.490 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001486094945 898652745 /nfs/dbraw/zinc/65/27/45/898652745.db2.gz FMIQCPBOYWAJRJ-ZIAGYGMSSA-N 2 1 265.401 0.929 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001486184013 898703003 /nfs/dbraw/zinc/70/30/03/898703003.db2.gz PBYNZWDCZBSXAH-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001486184013 898703010 /nfs/dbraw/zinc/70/30/10/898703010.db2.gz PBYNZWDCZBSXAH-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCOC)C1 ZINC001488833844 900402349 /nfs/dbraw/zinc/40/23/49/900402349.db2.gz BUYJVNXEIATWFY-KKUMJFAQSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCOC)C1 ZINC001488833844 900402354 /nfs/dbraw/zinc/40/23/54/900402354.db2.gz BUYJVNXEIATWFY-KKUMJFAQSA-N 2 1 293.411 0.215 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001326801800 901904190 /nfs/dbraw/zinc/90/41/90/901904190.db2.gz JLASHCJSLBAEFV-CYBMUJFWSA-N 2 1 281.400 0.522 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001326801800 901904201 /nfs/dbraw/zinc/90/42/01/901904201.db2.gz JLASHCJSLBAEFV-CYBMUJFWSA-N 2 1 281.400 0.522 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001490857339 902176824 /nfs/dbraw/zinc/17/68/24/902176824.db2.gz HDUCHGXTJWIKJY-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001276736204 903856035 /nfs/dbraw/zinc/85/60/35/903856035.db2.gz AROHIBZAPPCOAE-ZSOGYDGISA-N 2 1 272.352 0.119 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001276736204 903856049 /nfs/dbraw/zinc/85/60/49/903856049.db2.gz AROHIBZAPPCOAE-ZSOGYDGISA-N 2 1 272.352 0.119 20 30 CCEDMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001283693894 904965359 /nfs/dbraw/zinc/96/53/59/904965359.db2.gz XREYHNJMURBISY-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001283755487 904993691 /nfs/dbraw/zinc/99/36/91/904993691.db2.gz IJLGRPKCELBHLH-CHWSQXEVSA-N 2 1 269.389 0.112 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001283926468 905088895 /nfs/dbraw/zinc/08/88/95/905088895.db2.gz IQBSMOFBRIDEKW-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001284501415 905337904 /nfs/dbraw/zinc/33/79/04/905337904.db2.gz DHKLDKRTHGIZFV-HUUCEWRRSA-N 2 1 295.427 0.245 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC001296699595 906948806 /nfs/dbraw/zinc/94/88/06/906948806.db2.gz YYSXJOMEZUGVNH-CQSZACIVSA-N 2 1 282.432 0.246 20 30 CCEDMP C=CCC[N@H+](CCCNC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC001316914488 908839204 /nfs/dbraw/zinc/83/92/04/908839204.db2.gz WCRIDQQXFMASBV-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+](CCCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001316914488 908839222 /nfs/dbraw/zinc/83/92/22/908839222.db2.gz WCRIDQQXFMASBV-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001316914488 908839236 /nfs/dbraw/zinc/83/92/36/908839236.db2.gz WCRIDQQXFMASBV-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001316914488 908839252 /nfs/dbraw/zinc/83/92/52/908839252.db2.gz WCRIDQQXFMASBV-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001316914488 908839268 /nfs/dbraw/zinc/83/92/68/908839268.db2.gz WCRIDQQXFMASBV-OAHLLOKOSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317108952 908984111 /nfs/dbraw/zinc/98/41/11/908984111.db2.gz IZZOJCCRKFNZAP-YIYPIFLZSA-N 2 1 263.385 0.587 20 30 CCEDMP C=CCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001317471450 909247382 /nfs/dbraw/zinc/24/73/82/909247382.db2.gz HZRIYSCQZUVVDC-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001317471450 909247390 /nfs/dbraw/zinc/24/73/90/909247390.db2.gz HZRIYSCQZUVVDC-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001317471450 909247399 /nfs/dbraw/zinc/24/73/99/909247399.db2.gz HZRIYSCQZUVVDC-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001317471450 909247409 /nfs/dbraw/zinc/24/74/09/909247409.db2.gz HZRIYSCQZUVVDC-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C#CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317478562 909248163 /nfs/dbraw/zinc/24/81/63/909248163.db2.gz PCIXNUIIZHNDGK-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001317532532 909295711 /nfs/dbraw/zinc/29/57/11/909295711.db2.gz LNCKBUHVMGASIX-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001317532532 909295721 /nfs/dbraw/zinc/29/57/21/909295721.db2.gz LNCKBUHVMGASIX-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001317532532 909295733 /nfs/dbraw/zinc/29/57/33/909295733.db2.gz LNCKBUHVMGASIX-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317830849 909514343 /nfs/dbraw/zinc/51/43/43/909514343.db2.gz KYULLWFZVGUXHG-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317830849 909514356 /nfs/dbraw/zinc/51/43/56/909514356.db2.gz KYULLWFZVGUXHG-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317830849 909514366 /nfs/dbraw/zinc/51/43/66/909514366.db2.gz KYULLWFZVGUXHG-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001318607933 909834464 /nfs/dbraw/zinc/83/44/64/909834464.db2.gz SMXZPXGUKMJWTP-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+]C[C@@](C)(NC(=O)CC[N@H+](C)CC)C1CC1 ZINC001318728374 909873643 /nfs/dbraw/zinc/87/36/43/909873643.db2.gz NGRBZMMSCQPGAG-OAHLLOKOSA-N 2 1 265.401 0.836 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001319438568 910145580 /nfs/dbraw/zinc/14/55/80/910145580.db2.gz DVGRPPGEXGVSTD-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001319438568 910145571 /nfs/dbraw/zinc/14/55/71/910145571.db2.gz DVGRPPGEXGVSTD-CHWSQXEVSA-N 2 1 269.389 0.330 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001322298224 911750875 /nfs/dbraw/zinc/75/08/75/911750875.db2.gz JVYGHNMVUCJDPK-ZIAGYGMSSA-N 2 1 281.400 0.024 20 30 CCEDMP CC#CC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001322793905 911957489 /nfs/dbraw/zinc/95/74/89/911957489.db2.gz XUELKRGBUBSBEM-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001329533723 915993527 /nfs/dbraw/zinc/99/35/27/915993527.db2.gz ZGLIKLGGLACQDE-CYBMUJFWSA-N 2 1 269.389 0.024 20 30 CCEDMP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001330423475 916623046 /nfs/dbraw/zinc/62/30/46/916623046.db2.gz HCOWVLFAIDOETF-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC001331975895 917773166 /nfs/dbraw/zinc/77/31/66/917773166.db2.gz KANVLAAKZVHIAG-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CCC)C2)C1 ZINC001331975895 917773173 /nfs/dbraw/zinc/77/31/73/917773173.db2.gz KANVLAAKZVHIAG-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH+](CCC)C2)C1 ZINC001331975895 917773180 /nfs/dbraw/zinc/77/31/80/917773180.db2.gz KANVLAAKZVHIAG-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH+](CCC)C2)C1 ZINC001331975895 917773186 /nfs/dbraw/zinc/77/31/86/917773186.db2.gz KANVLAAKZVHIAG-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332676826 918376660 /nfs/dbraw/zinc/37/66/60/918376660.db2.gz FJGUEGPWYRMUKC-AWEZNQCLSA-N 2 1 294.399 0.519 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332676826 918376672 /nfs/dbraw/zinc/37/66/72/918376672.db2.gz FJGUEGPWYRMUKC-AWEZNQCLSA-N 2 1 294.399 0.519 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001335538749 920260687 /nfs/dbraw/zinc/26/06/87/920260687.db2.gz NUBSGAAZOPBSME-ZIAGYGMSSA-N 2 1 280.416 0.486 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001340018725 921917967 /nfs/dbraw/zinc/91/79/67/921917967.db2.gz ISNKLVPFGMQRBR-GJZGRUSLSA-N 2 1 295.427 0.993 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001341569361 922556390 /nfs/dbraw/zinc/55/63/90/922556390.db2.gz MRTUPPASGSVYIW-HZSPNIEDSA-N 2 1 265.401 0.692 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001341569361 922556409 /nfs/dbraw/zinc/55/64/09/922556409.db2.gz MRTUPPASGSVYIW-HZSPNIEDSA-N 2 1 265.401 0.692 20 30 CCEDMP C=CC[C@]1(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CCC[NH2+]1 ZINC001341940195 922728886 /nfs/dbraw/zinc/72/88/86/922728886.db2.gz CUXXZKLTQUFRPD-OFQRWUPVSA-N 2 1 294.443 0.435 20 30 CCEDMP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)CCC[NH2+]1 ZINC001344877148 923716300 /nfs/dbraw/zinc/71/63/00/923716300.db2.gz OGZAUYLNHBUURY-SGMGOOAPSA-N 2 1 251.374 0.894 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)C1 ZINC001349850420 925077240 /nfs/dbraw/zinc/07/72/40/925077240.db2.gz YOFMWZCWBAWJCS-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC001349850420 925077246 /nfs/dbraw/zinc/07/72/46/925077246.db2.gz YOFMWZCWBAWJCS-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC001349850420 925077255 /nfs/dbraw/zinc/07/72/55/925077255.db2.gz YOFMWZCWBAWJCS-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC001349850420 925077264 /nfs/dbraw/zinc/07/72/64/925077264.db2.gz YOFMWZCWBAWJCS-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001353508046 925855221 /nfs/dbraw/zinc/85/52/21/925855221.db2.gz HWIDOYMCPSFBOX-CHWSQXEVSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001353508046 925855229 /nfs/dbraw/zinc/85/52/29/925855229.db2.gz HWIDOYMCPSFBOX-CHWSQXEVSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H](C)COC)CC1 ZINC001356610351 926409180 /nfs/dbraw/zinc/40/91/80/926409180.db2.gz NSBMDSQQXZEVPM-GOEBONIOSA-N 2 1 298.427 0.476 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001423254834 927767986 /nfs/dbraw/zinc/76/79/86/927767986.db2.gz ALGIMIOABTWQRG-GFCCVEGCSA-N 2 1 289.807 0.147 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603430791 363129317 /nfs/dbraw/zinc/12/93/17/363129317.db2.gz CXVKPILFVCVJNP-LPEHRKFASA-N 2 1 268.361 0.102 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000294004721 353859140 /nfs/dbraw/zinc/85/91/40/353859140.db2.gz PDJWTOMOQXWSJM-AWEZNQCLSA-N 2 1 288.395 0.825 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000294004721 353859143 /nfs/dbraw/zinc/85/91/43/353859143.db2.gz PDJWTOMOQXWSJM-AWEZNQCLSA-N 2 1 288.395 0.825 20 30 CCEDMP O=C(N[C@@H]1CCn2ccnc2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000330277959 354315283 /nfs/dbraw/zinc/31/52/83/354315283.db2.gz OZRVKGMKJDJDRF-CHWSQXEVSA-N 2 1 289.383 0.892 20 30 CCEDMP C#CCNC(=O)C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000491202071 358292717 /nfs/dbraw/zinc/29/27/17/358292717.db2.gz LNXYHJYRTXSSIS-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C[C@@H]1[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC[N@H+]1C ZINC000592761428 359926225 /nfs/dbraw/zinc/92/62/25/359926225.db2.gz NUVCNYOSGKBCDD-VXGBXAGGSA-N 2 1 264.373 0.431 20 30 CCEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C[NH+]1CCOCC1 ZINC000594437536 360305444 /nfs/dbraw/zinc/30/54/44/360305444.db2.gz JVBUWYBVAOTVJT-UONOGXRCSA-N 2 1 296.415 0.482 20 30 CCEDMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594438561 360307437 /nfs/dbraw/zinc/30/74/37/360307437.db2.gz OJZYLBMTEXWXPK-QWHCGFSZSA-N 2 1 282.388 0.235 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000594446344 360313306 /nfs/dbraw/zinc/31/33/06/360313306.db2.gz REZWRRWRQKZHLI-ZDUSSCGKSA-N 2 1 282.388 0.236 20 30 CCEDMP C=CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000656479606 412810026 /nfs/dbraw/zinc/81/00/26/412810026.db2.gz VHGQNIPLSQWOAK-UONOGXRCSA-N 2 1 293.411 0.964 20 30 CCEDMP C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000574462752 335021859 /nfs/dbraw/zinc/02/18/59/335021859.db2.gz LZAFQTIYZQEULV-GFCCVEGCSA-N 2 1 264.373 0.432 20 30 CCEDMP CNC(NCC1([NH+]2CCCCC2)CCN(C)CC1)=[NH+]C ZINC000304362219 389083215 /nfs/dbraw/zinc/08/32/15/389083215.db2.gz YACZERBYYMYFHP-UHFFFAOYSA-N 2 1 281.448 0.732 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000342702340 389244947 /nfs/dbraw/zinc/24/49/47/389244947.db2.gz JNZDXDZYUCGLTA-LBPRGKRZSA-N 2 1 287.354 0.998 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1cnn(C)c1 ZINC000264283341 389318195 /nfs/dbraw/zinc/31/81/95/389318195.db2.gz OGPXDEGYYWYJQJ-CQSZACIVSA-N 2 1 292.431 0.741 20 30 CCEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C(C)C ZINC000269732113 389426279 /nfs/dbraw/zinc/42/62/79/389426279.db2.gz SJLGZQATELXSFA-CHWSQXEVSA-N 2 1 296.415 0.004 20 30 CCEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@@H]1CC[N@@H+](C)C1 ZINC000176363100 389556254 /nfs/dbraw/zinc/55/62/54/389556254.db2.gz ATBMVORHIAVJHG-ZDUSSCGKSA-N 2 1 292.431 0.654 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442763404 389861565 /nfs/dbraw/zinc/86/15/65/389861565.db2.gz IXGCNQKTVSREMK-GARJFASQSA-N 2 1 268.361 0.056 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442763404 389861568 /nfs/dbraw/zinc/86/15/68/389861568.db2.gz IXGCNQKTVSREMK-GARJFASQSA-N 2 1 268.361 0.056 20 30 CCEDMP C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCC[NH2+]CC2)C1=O ZINC000420312811 389982303 /nfs/dbraw/zinc/98/23/03/389982303.db2.gz OYVDRSVTZDRVEK-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCC[NH2+]CC2)C1=O ZINC000420312811 389982307 /nfs/dbraw/zinc/98/23/07/389982307.db2.gz OYVDRSVTZDRVEK-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000491713621 390116270 /nfs/dbraw/zinc/11/62/70/390116270.db2.gz KGFKXQXMTGDFMH-CQSZACIVSA-N 2 1 282.432 0.956 20 30 CCEDMP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000541859171 390249806 /nfs/dbraw/zinc/24/98/06/390249806.db2.gz ZPJVYWXOWNUDQF-LBPRGKRZSA-N 2 1 292.383 0.301 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COC2CCOCC2)CC1 ZINC000578740727 390899642 /nfs/dbraw/zinc/89/96/42/390899642.db2.gz TXVNXAWTTUIETC-HNNXBMFYSA-N 2 1 298.427 0.783 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CCC[NH2+]1 ZINC000662710554 414745064 /nfs/dbraw/zinc/74/50/64/414745064.db2.gz HADHSWQANXKHNL-GOEBONIOSA-N 2 1 295.427 0.912 20 30 CCEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@@H](O)C2)C[C@@H]1O ZINC000341905926 263365252 /nfs/dbraw/zinc/36/52/52/263365252.db2.gz SVARYCZAPJUCRI-FZKCQIBNSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@@H](O)C2)C[C@@H]1O ZINC000341905926 263365254 /nfs/dbraw/zinc/36/52/54/263365254.db2.gz SVARYCZAPJUCRI-FZKCQIBNSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@@H](O)C2)C[C@@H]1O ZINC000341905926 263365257 /nfs/dbraw/zinc/36/52/57/263365257.db2.gz SVARYCZAPJUCRI-FZKCQIBNSA-N 2 1 280.412 0.395 20 30 CCEDMP CC[C@@H]1C[NH+](CC#CC[N@H+]2C[C@H](O)[C@H](CC)C2)C[C@@H]1O ZINC000341902929 263365488 /nfs/dbraw/zinc/36/54/88/263365488.db2.gz GHQYACXVYLEUBP-WCVJEAGWSA-N 2 1 280.412 0.395 20 30 CCEDMP C=CCC[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000367886411 267124491 /nfs/dbraw/zinc/12/44/91/267124491.db2.gz PJGWKFFQCDDYOR-HNNXBMFYSA-N 2 1 298.427 0.473 20 30 CCEDMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000332729561 290174438 /nfs/dbraw/zinc/17/44/38/290174438.db2.gz VDJVSIOPNKGTSQ-MELADBBJSA-N 2 1 278.400 0.950 20 30 CCEDMP COCC[NH+]1CCC(N[C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000173640902 329150283 /nfs/dbraw/zinc/15/02/83/329150283.db2.gz UCZUSUWUYQBDBE-CYBMUJFWSA-N 2 1 296.415 0.447 20 30 CCEDMP N#CCC[C@H](C#N)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000582780385 329183897 /nfs/dbraw/zinc/18/38/97/329183897.db2.gz MPXKZRGYZHCJOJ-ZIAGYGMSSA-N 2 1 291.399 0.607 20 30 CCEDMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])NC2CCCCC2)C1 ZINC000262276078 330003687 /nfs/dbraw/zinc/00/36/87/330003687.db2.gz HWFRWYNNRLNFRC-CYBMUJFWSA-N 2 1 254.378 0.290 20 30 CCEDMP C[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262338660 330006759 /nfs/dbraw/zinc/00/67/59/330006759.db2.gz CFSWXGXGKJXEFL-SMDDNHRTSA-N 2 1 298.456 0.256 20 30 CCEDMP C[NH+]=C(NC[C@]1(O)CCSC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262338660 330006761 /nfs/dbraw/zinc/00/67/61/330006761.db2.gz CFSWXGXGKJXEFL-SMDDNHRTSA-N 2 1 298.456 0.256 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@@]1([NH+](C)C)CCSC1 ZINC000262491120 330017258 /nfs/dbraw/zinc/01/72/58/330017258.db2.gz UZQWBAWSUKLQPW-LBPRGKRZSA-N 2 1 256.419 0.904 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(C)CCC(=O)N1 ZINC000263187321 330048134 /nfs/dbraw/zinc/04/81/34/330048134.db2.gz VBHPLLSXQNIRAR-SMDDNHRTSA-N 2 1 281.404 0.044 20 30 CCEDMP Cc1ccc(NCCCNC(=O)[C@@H]([NH3+])CCCC#N)[nH+]c1 ZINC000424147255 330293863 /nfs/dbraw/zinc/29/38/63/330293863.db2.gz RAGJUQVVBGBVKQ-ZDUSSCGKSA-N 2 1 289.383 0.751 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000490922442 332129468 /nfs/dbraw/zinc/12/94/68/332129468.db2.gz DIPSEIOQEHJUEV-UHFFFAOYSA-N 2 1 275.396 0.710 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491069780 332145824 /nfs/dbraw/zinc/14/58/24/332145824.db2.gz YASBMNAPZDYCGK-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000491069780 332145825 /nfs/dbraw/zinc/14/58/25/332145825.db2.gz YASBMNAPZDYCGK-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCNC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000491069780 332145826 /nfs/dbraw/zinc/14/58/26/332145826.db2.gz YASBMNAPZDYCGK-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000491069780 332145827 /nfs/dbraw/zinc/14/58/27/332145827.db2.gz YASBMNAPZDYCGK-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000491652769 332265389 /nfs/dbraw/zinc/26/53/89/332265389.db2.gz BOSHTKXZAKMEAT-UHFFFAOYSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000491802447 332356705 /nfs/dbraw/zinc/35/67/05/332356705.db2.gz GJRUUMIRIBEGEY-OAHLLOKOSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000491817909 332368258 /nfs/dbraw/zinc/36/82/58/332368258.db2.gz JTQLHITXLZMRCE-RRFJBIMHSA-N 2 1 292.427 0.629 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352509174 526586384 /nfs/dbraw/zinc/58/63/84/526586384.db2.gz JRVCUFNRMXGCPK-UHFFFAOYSA-N 2 1 296.415 0.839 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1(C)OCCO1 ZINC000305816625 649880512 /nfs/dbraw/zinc/88/05/12/649880512.db2.gz MOKUEVNBGOKACR-GFCCVEGCSA-N 2 1 284.404 0.528 20 30 CCEDMP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000783536920 581348912 /nfs/dbraw/zinc/34/89/12/581348912.db2.gz RQQVZWCDIDVVGF-QWHCGFSZSA-N 2 1 272.414 0.804 20 30 CCEDMP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000783536920 581348913 /nfs/dbraw/zinc/34/89/13/581348913.db2.gz RQQVZWCDIDVVGF-QWHCGFSZSA-N 2 1 272.414 0.804 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000730281489 581690866 /nfs/dbraw/zinc/69/08/66/581690866.db2.gz YHINGWIMYSICHL-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000730281489 581690867 /nfs/dbraw/zinc/69/08/67/581690867.db2.gz YHINGWIMYSICHL-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000764509506 582054165 /nfs/dbraw/zinc/05/41/65/582054165.db2.gz VHRXQGSNWGDQSV-UHFFFAOYSA-N 2 1 296.459 0.638 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000764534955 582055344 /nfs/dbraw/zinc/05/53/44/582055344.db2.gz FCEYOEQIJDFSQE-LBPRGKRZSA-N 2 1 269.389 0.189 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894862511 613079174 /nfs/dbraw/zinc/07/91/74/613079174.db2.gz CXGDJVOUWVHEPB-WDEREUQCSA-N 2 1 274.311 0.585 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894862511 613079176 /nfs/dbraw/zinc/07/91/76/613079176.db2.gz CXGDJVOUWVHEPB-WDEREUQCSA-N 2 1 274.311 0.585 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000965063118 612954602 /nfs/dbraw/zinc/95/46/02/612954602.db2.gz JWIBISPVNDNDND-KBMGIXFMSA-N 2 1 289.423 0.834 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939127006 612968998 /nfs/dbraw/zinc/96/89/98/612968998.db2.gz AFUHSVQCQWQXHT-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549813 613024215 /nfs/dbraw/zinc/02/42/15/613024215.db2.gz YKQKVOCUAKPWCG-LSDHHAIUSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905049262 613072686 /nfs/dbraw/zinc/07/26/86/613072686.db2.gz QJRHFSHOQCMLPP-LBPRGKRZSA-N 2 1 268.430 0.951 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831194223 613076096 /nfs/dbraw/zinc/07/60/96/613076096.db2.gz XPYNVVPWAHRNMC-CYBMUJFWSA-N 2 1 278.400 0.383 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000843897126 613077661 /nfs/dbraw/zinc/07/76/61/613077661.db2.gz RAHCPLYPLMSEHE-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000843897126 613077662 /nfs/dbraw/zinc/07/76/62/613077662.db2.gz RAHCPLYPLMSEHE-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000843897126 613077663 /nfs/dbraw/zinc/07/76/63/613077663.db2.gz RAHCPLYPLMSEHE-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970743566 613116165 /nfs/dbraw/zinc/11/61/65/613116165.db2.gz BCJAGBXPTODMKM-GFCCVEGCSA-N 2 1 261.369 0.152 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970325457 613124113 /nfs/dbraw/zinc/12/41/13/613124113.db2.gz GCWOKPICYJXUJW-IHRRRGAJSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000970325457 613124115 /nfs/dbraw/zinc/12/41/15/613124115.db2.gz GCWOKPICYJXUJW-IHRRRGAJSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NCCn2cc[nH+]c2C)CC1 ZINC000915731528 613133853 /nfs/dbraw/zinc/13/38/53/613133853.db2.gz VCTHRYFJAFWORD-UHFFFAOYSA-N 2 1 289.383 0.588 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000982150687 613140764 /nfs/dbraw/zinc/14/07/64/613140764.db2.gz QEGYIGVWEQOJPO-UHFFFAOYSA-N 2 1 275.396 0.640 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269970 613162247 /nfs/dbraw/zinc/16/22/47/613162247.db2.gz SLQTXDUQRFOQNH-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269970 613162249 /nfs/dbraw/zinc/16/22/49/613162249.db2.gz SLQTXDUQRFOQNH-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000948269970 613162250 /nfs/dbraw/zinc/16/22/50/613162250.db2.gz SLQTXDUQRFOQNH-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269970 613162252 /nfs/dbraw/zinc/16/22/52/613162252.db2.gz SLQTXDUQRFOQNH-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000890377415 613167831 /nfs/dbraw/zinc/16/78/31/613167831.db2.gz UJLOZDBQRHBZHC-CQSZACIVSA-N 2 1 278.400 0.431 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@H+](C)CC2)C1 ZINC000890377415 613167832 /nfs/dbraw/zinc/16/78/32/613167832.db2.gz UJLOZDBQRHBZHC-CQSZACIVSA-N 2 1 278.400 0.431 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](C)CC2)C1 ZINC000890377415 613167833 /nfs/dbraw/zinc/16/78/33/613167833.db2.gz UJLOZDBQRHBZHC-CQSZACIVSA-N 2 1 278.400 0.431 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](C)CC2)C1 ZINC000890377415 613167834 /nfs/dbraw/zinc/16/78/34/613167834.db2.gz UJLOZDBQRHBZHC-CQSZACIVSA-N 2 1 278.400 0.431 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000884021535 613168132 /nfs/dbraw/zinc/16/81/32/613168132.db2.gz DNRIDBNVLMXNBQ-CYBMUJFWSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000884021535 613168134 /nfs/dbraw/zinc/16/81/34/613168134.db2.gz DNRIDBNVLMXNBQ-CYBMUJFWSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCCCC2)C1 ZINC000887340509 613168866 /nfs/dbraw/zinc/16/88/66/613168866.db2.gz BUGYRBJQJPBMOA-OAHLLOKOSA-N 2 1 292.427 0.869 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCCCC2)C1 ZINC000887340509 613168867 /nfs/dbraw/zinc/16/88/67/613168867.db2.gz BUGYRBJQJPBMOA-OAHLLOKOSA-N 2 1 292.427 0.869 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=S)NCC[NH+](C)C)C1 ZINC000905571728 613175122 /nfs/dbraw/zinc/17/51/22/613175122.db2.gz RXKSNFNSSUPDIO-GFCCVEGCSA-N 2 1 268.430 0.110 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=S)NCC[NH+](C)C)C1 ZINC000905571728 613175123 /nfs/dbraw/zinc/17/51/23/613175123.db2.gz RXKSNFNSSUPDIO-GFCCVEGCSA-N 2 1 268.430 0.110 20 30 CCEDMP CNC(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)=[NH+]C ZINC000849215112 613218934 /nfs/dbraw/zinc/21/89/34/613218934.db2.gz ODQKMTOPOMNICB-CQSZACIVSA-N 2 1 276.384 0.548 20 30 CCEDMP C[NH+]=C(NCCC[N@H+]1CCCO[C@@H](C)C1)NC1CC1 ZINC000849022522 613219556 /nfs/dbraw/zinc/21/95/56/613219556.db2.gz GMSVSHNKMYEBIL-LBPRGKRZSA-N 2 1 268.405 0.815 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971266129 613285660 /nfs/dbraw/zinc/28/56/60/613285660.db2.gz GISZAFRCQJMMHQ-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971266129 613285661 /nfs/dbraw/zinc/28/56/61/613285661.db2.gz GISZAFRCQJMMHQ-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971266129 613285663 /nfs/dbraw/zinc/28/56/63/613285663.db2.gz GISZAFRCQJMMHQ-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971266129 613285665 /nfs/dbraw/zinc/28/56/65/613285665.db2.gz GISZAFRCQJMMHQ-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977473638 613297424 /nfs/dbraw/zinc/29/74/24/613297424.db2.gz YECFFYRBZYFQJH-KBPBESRZSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473638 613297426 /nfs/dbraw/zinc/29/74/26/613297426.db2.gz YECFFYRBZYFQJH-KBPBESRZSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473638 613297427 /nfs/dbraw/zinc/29/74/27/613297427.db2.gz YECFFYRBZYFQJH-KBPBESRZSA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000907764747 613363924 /nfs/dbraw/zinc/36/39/24/613363924.db2.gz ZVWMTPHSTSXZBJ-UHFFFAOYSA-N 2 1 277.372 0.566 20 30 CCEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000969971099 613530843 /nfs/dbraw/zinc/53/08/43/613530843.db2.gz WVVCLUTYPCYHMZ-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000969413384 613531218 /nfs/dbraw/zinc/53/12/18/613531218.db2.gz XZVZQSGEILVXAZ-TZMCWYRMSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977962509 613629326 /nfs/dbraw/zinc/62/93/26/613629326.db2.gz YJEBKSDLNGYDOE-APIJFGDWSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000977962509 613629328 /nfs/dbraw/zinc/62/93/28/613629328.db2.gz YJEBKSDLNGYDOE-APIJFGDWSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977962509 613629329 /nfs/dbraw/zinc/62/93/29/613629329.db2.gz YJEBKSDLNGYDOE-APIJFGDWSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000962302507 613634476 /nfs/dbraw/zinc/63/44/76/613634476.db2.gz DCOLXQXKAYKMMC-NYTXWWLZSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000962302507 613634477 /nfs/dbraw/zinc/63/44/77/613634477.db2.gz DCOLXQXKAYKMMC-NYTXWWLZSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000962302507 613634478 /nfs/dbraw/zinc/63/44/78/613634478.db2.gz DCOLXQXKAYKMMC-NYTXWWLZSA-N 2 1 275.396 0.398 20 30 CCEDMP CC#CC[C@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000895100996 613652666 /nfs/dbraw/zinc/65/26/66/613652666.db2.gz YKNYWTJVRWGCFU-CVEARBPZSA-N 2 1 280.412 0.994 20 30 CCEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000933732219 613739856 /nfs/dbraw/zinc/73/98/56/613739856.db2.gz NHBPOFZVPCHJCG-NFAWXSAZSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000933732219 613739857 /nfs/dbraw/zinc/73/98/57/613739857.db2.gz NHBPOFZVPCHJCG-NFAWXSAZSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000933732219 613739858 /nfs/dbraw/zinc/73/98/58/613739858.db2.gz NHBPOFZVPCHJCG-NFAWXSAZSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000933732219 613739859 /nfs/dbraw/zinc/73/98/59/613739859.db2.gz NHBPOFZVPCHJCG-NFAWXSAZSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958215895 613830013 /nfs/dbraw/zinc/83/00/13/613830013.db2.gz YIGNOUXVPAPSGZ-KGLIPLIRSA-N 2 1 293.411 0.210 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000970271218 613863417 /nfs/dbraw/zinc/86/34/17/613863417.db2.gz ZVPCVRZFRMJJIF-CYBMUJFWSA-N 2 1 267.373 0.085 20 30 CCEDMP CCCNC(=[NH2+])NCCCCN1CC[NH+](CC)CC1 ZINC000104170009 614587678 /nfs/dbraw/zinc/58/76/78/614587678.db2.gz SPAUAPGCTQWLAO-UHFFFAOYSA-N 2 1 269.437 0.718 20 30 CCEDMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C#CC1CC[NH2+]CC1 ZINC000877452245 616198229 /nfs/dbraw/zinc/19/82/29/616198229.db2.gz VDPLSBRYNBSSLD-LSDHHAIUSA-N 2 1 275.396 0.685 20 30 CCEDMP C[N@H+]1CCC[C@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000852887461 616215266 /nfs/dbraw/zinc/21/52/66/616215266.db2.gz AMGBOQDYIMHKQW-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001026045462 625325608 /nfs/dbraw/zinc/32/56/08/625325608.db2.gz ZNEVEAIFFWSJBZ-KVRLPLMBSA-N 2 1 297.830 0.983 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001026045462 625325614 /nfs/dbraw/zinc/32/56/14/625325614.db2.gz ZNEVEAIFFWSJBZ-KVRLPLMBSA-N 2 1 297.830 0.983 20 30 CCEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026045462 625325615 /nfs/dbraw/zinc/32/56/15/625325615.db2.gz ZNEVEAIFFWSJBZ-KVRLPLMBSA-N 2 1 297.830 0.983 20 30 CCEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026045462 625325619 /nfs/dbraw/zinc/32/56/19/625325619.db2.gz ZNEVEAIFFWSJBZ-KVRLPLMBSA-N 2 1 297.830 0.983 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001026045463 625325701 /nfs/dbraw/zinc/32/57/01/625325701.db2.gz ZNEVEAIFFWSJBZ-NGBXAZJTSA-N 2 1 297.830 0.983 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001026045463 625325703 /nfs/dbraw/zinc/32/57/03/625325703.db2.gz ZNEVEAIFFWSJBZ-NGBXAZJTSA-N 2 1 297.830 0.983 20 30 CCEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026045463 625325705 /nfs/dbraw/zinc/32/57/05/625325705.db2.gz ZNEVEAIFFWSJBZ-NGBXAZJTSA-N 2 1 297.830 0.983 20 30 CCEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026045463 625325709 /nfs/dbraw/zinc/32/57/09/625325709.db2.gz ZNEVEAIFFWSJBZ-NGBXAZJTSA-N 2 1 297.830 0.983 20 30 CCEDMP C=CC[C@H]1CC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000934459317 622709883 /nfs/dbraw/zinc/70/98/83/622709883.db2.gz ICJOHXRQHOMLRJ-ZDUSSCGKSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001024808183 623449649 /nfs/dbraw/zinc/44/96/49/623449649.db2.gz DOKWLYAARLGVPT-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001024808183 623449664 /nfs/dbraw/zinc/44/96/64/623449664.db2.gz DOKWLYAARLGVPT-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001024808183 623449680 /nfs/dbraw/zinc/44/96/80/623449680.db2.gz DOKWLYAARLGVPT-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024808183 623449694 /nfs/dbraw/zinc/44/96/94/623449694.db2.gz DOKWLYAARLGVPT-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024808183 623449720 /nfs/dbraw/zinc/44/97/20/623449720.db2.gz DOKWLYAARLGVPT-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001022278197 624908389 /nfs/dbraw/zinc/90/83/89/624908389.db2.gz HLIXXNIZMDQJIW-LJISPDSOSA-N 2 1 275.396 0.873 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027580746 630772297 /nfs/dbraw/zinc/77/22/97/630772297.db2.gz AAMQDRDWROVHIW-KGLIPLIRSA-N 2 1 265.401 0.883 20 30 CCEDMP C=CCN1CC[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C1=O ZINC000261951906 631727946 /nfs/dbraw/zinc/72/79/46/631727946.db2.gz OBMKEIUNAUOVKR-CYBMUJFWSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000985653295 632611333 /nfs/dbraw/zinc/61/13/33/632611333.db2.gz KZICBUNMVWEXPR-DZGCQCFKSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000985653295 632611345 /nfs/dbraw/zinc/61/13/45/632611345.db2.gz KZICBUNMVWEXPR-DZGCQCFKSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000985653295 632611354 /nfs/dbraw/zinc/61/13/54/632611354.db2.gz KZICBUNMVWEXPR-DZGCQCFKSA-N 2 1 277.412 0.740 20 30 CCEDMP C=CC[N@@H+](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000985700724 632624022 /nfs/dbraw/zinc/62/40/22/632624022.db2.gz FBXYGKMCXZLSIE-UHFFFAOYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CC[N@H+](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000985700724 632624025 /nfs/dbraw/zinc/62/40/25/632624025.db2.gz FBXYGKMCXZLSIE-UHFFFAOYSA-N 2 1 295.427 0.818 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC000989185324 633165852 /nfs/dbraw/zinc/16/58/52/633165852.db2.gz DODKUDLSOUMGER-DGCLKSJQSA-N 2 1 260.341 0.404 20 30 CCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC000990027685 633407730 /nfs/dbraw/zinc/40/77/30/633407730.db2.gz VYAMGFDBZNIPBQ-IJEWVQPXSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC000990027685 633407736 /nfs/dbraw/zinc/40/77/36/633407736.db2.gz VYAMGFDBZNIPBQ-IJEWVQPXSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000990027685 633407739 /nfs/dbraw/zinc/40/77/39/633407739.db2.gz VYAMGFDBZNIPBQ-IJEWVQPXSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000990027685 633407743 /nfs/dbraw/zinc/40/77/43/633407743.db2.gz VYAMGFDBZNIPBQ-IJEWVQPXSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001008539629 650119128 /nfs/dbraw/zinc/11/91/28/650119128.db2.gz LREHTCGUTKXHBA-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008539629 650119129 /nfs/dbraw/zinc/11/91/29/650119129.db2.gz LREHTCGUTKXHBA-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008539629 650119131 /nfs/dbraw/zinc/11/91/31/650119131.db2.gz LREHTCGUTKXHBA-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010429852 650225982 /nfs/dbraw/zinc/22/59/82/650225982.db2.gz WXBGWVQKGJHWKI-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010429852 650225985 /nfs/dbraw/zinc/22/59/85/650225985.db2.gz WXBGWVQKGJHWKI-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010429852 650225987 /nfs/dbraw/zinc/22/59/87/650225987.db2.gz WXBGWVQKGJHWKI-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010429852 650225990 /nfs/dbraw/zinc/22/59/90/650225990.db2.gz WXBGWVQKGJHWKI-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@@H]1CCCO1 ZINC000072749517 638766153 /nfs/dbraw/zinc/76/61/53/638766153.db2.gz VAJDKCNENCTYFR-RYUDHWBXSA-N 2 1 254.378 0.282 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000996728354 638830291 /nfs/dbraw/zinc/83/02/91/638830291.db2.gz JBEBSBQWOQLKSP-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000998794208 638942528 /nfs/dbraw/zinc/94/25/28/638942528.db2.gz NLPUTIPFGPDHKW-PFSRBDOWSA-N 2 1 277.412 0.929 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998813691 638943520 /nfs/dbraw/zinc/94/35/20/638943520.db2.gz XKUFGKREXCMZIO-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998813691 638943521 /nfs/dbraw/zinc/94/35/21/638943521.db2.gz XKUFGKREXCMZIO-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC)C1 ZINC000999391626 638980136 /nfs/dbraw/zinc/98/01/36/638980136.db2.gz MLKOCQFDLFDWHG-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC)C1 ZINC000999391626 638980138 /nfs/dbraw/zinc/98/01/38/638980138.db2.gz MLKOCQFDLFDWHG-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001000844150 639181930 /nfs/dbraw/zinc/18/19/30/639181930.db2.gz JRXUPVOOYUJKJI-UKRRQHHQSA-N 2 1 291.395 0.087 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001000844150 639181935 /nfs/dbraw/zinc/18/19/35/639181935.db2.gz JRXUPVOOYUJKJI-UKRRQHHQSA-N 2 1 291.395 0.087 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001000844150 639181938 /nfs/dbraw/zinc/18/19/38/639181938.db2.gz JRXUPVOOYUJKJI-UKRRQHHQSA-N 2 1 291.395 0.087 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000844150 639181946 /nfs/dbraw/zinc/18/19/46/639181946.db2.gz JRXUPVOOYUJKJI-UKRRQHHQSA-N 2 1 291.395 0.087 20 30 CCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001151670 639247934 /nfs/dbraw/zinc/24/79/34/639247934.db2.gz OAGRQZSOYBDHBT-GDBMZVCRSA-N 2 1 289.423 0.956 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001151670 639247940 /nfs/dbraw/zinc/24/79/40/639247940.db2.gz OAGRQZSOYBDHBT-GDBMZVCRSA-N 2 1 289.423 0.956 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001151670 639247946 /nfs/dbraw/zinc/24/79/46/639247946.db2.gz OAGRQZSOYBDHBT-GDBMZVCRSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001014963671 650508781 /nfs/dbraw/zinc/50/87/81/650508781.db2.gz OEVOIUJFQUYSIA-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001014963671 650508782 /nfs/dbraw/zinc/50/87/82/650508782.db2.gz OEVOIUJFQUYSIA-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014963671 650508783 /nfs/dbraw/zinc/50/87/83/650508783.db2.gz OEVOIUJFQUYSIA-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014963671 650508784 /nfs/dbraw/zinc/50/87/84/650508784.db2.gz OEVOIUJFQUYSIA-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001014963670 650509114 /nfs/dbraw/zinc/50/91/14/650509114.db2.gz OEVOIUJFQUYSIA-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001014963670 650509119 /nfs/dbraw/zinc/50/91/19/650509119.db2.gz OEVOIUJFQUYSIA-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014963670 650509123 /nfs/dbraw/zinc/50/91/23/650509123.db2.gz OEVOIUJFQUYSIA-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014963670 650509127 /nfs/dbraw/zinc/50/91/27/650509127.db2.gz OEVOIUJFQUYSIA-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000852875335 644036312 /nfs/dbraw/zinc/03/63/12/644036312.db2.gz IKTFRJATJQSAEQ-MKCWBWRRSA-N 2 1 280.278 0.192 20 30 CCEDMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852885829 644042999 /nfs/dbraw/zinc/04/29/99/644042999.db2.gz ZYQZGTASPOGVOH-HNNXBMFYSA-N 2 1 277.412 0.788 20 30 CCEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](C3CC3)CC1)C2 ZINC000884185219 647662670 /nfs/dbraw/zinc/66/26/70/647662670.db2.gz OPOCQTJSSXFUEY-UYJPIKCFSA-N 2 1 288.395 0.432 20 30 CCEDMP C[C@@H](CNC(=[NH2+])NC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000104174554 648204767 /nfs/dbraw/zinc/20/47/67/648204767.db2.gz HFNVAGHJAXSRSU-LBPRGKRZSA-N 2 1 269.437 0.573 20 30 CCEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000303381912 649817356 /nfs/dbraw/zinc/81/73/56/649817356.db2.gz SEHBOMQWEZSRBP-AWEZNQCLSA-N 2 1 297.447 0.097 20 30 CCEDMP CN1CCC[N@H+](CCCNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000303381912 649817357 /nfs/dbraw/zinc/81/73/57/649817357.db2.gz SEHBOMQWEZSRBP-AWEZNQCLSA-N 2 1 297.447 0.097 20 30 CCEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000303381912 649817358 /nfs/dbraw/zinc/81/73/58/649817358.db2.gz SEHBOMQWEZSRBP-AWEZNQCLSA-N 2 1 297.447 0.097 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000303897706 649826625 /nfs/dbraw/zinc/82/66/25/649826625.db2.gz QUTDZGFQXJWHHN-NWDGAFQWSA-N 2 1 256.394 0.658 20 30 CCEDMP C[C@H](CNC(=[NH2+])NCC1CCC1)C[NH+]1CCOCC1 ZINC000304760359 649838727 /nfs/dbraw/zinc/83/87/27/649838727.db2.gz SGTKKHBRMVGESJ-GFCCVEGCSA-N 2 1 268.405 0.659 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230141994 805583549 /nfs/dbraw/zinc/58/35/49/805583549.db2.gz ZDOIIPQUWHGTLY-RBSFLKMASA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)CCC)CC1 ZINC001266381190 790615328 /nfs/dbraw/zinc/61/53/28/790615328.db2.gz YJOZDPCCMKEKAI-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083195667 790622198 /nfs/dbraw/zinc/62/21/98/790622198.db2.gz HUXMKRXWSWKKQK-SOUVJXGZSA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083195667 790622209 /nfs/dbraw/zinc/62/22/09/790622209.db2.gz HUXMKRXWSWKKQK-SOUVJXGZSA-N 2 1 295.427 0.814 20 30 CCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001266489038 790780188 /nfs/dbraw/zinc/78/01/88/790780188.db2.gz VVDZKTFJPGXGFI-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001266489038 790780198 /nfs/dbraw/zinc/78/01/98/790780198.db2.gz VVDZKTFJPGXGFI-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001266489038 790780201 /nfs/dbraw/zinc/78/02/01/790780201.db2.gz VVDZKTFJPGXGFI-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266879425 791317291 /nfs/dbraw/zinc/31/72/91/791317291.db2.gz WGLSFCOJOGSZHB-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+](CC=C)CCN1CC[NH+](CC(OC)OC)CC1 ZINC001207256378 791486044 /nfs/dbraw/zinc/48/60/44/791486044.db2.gz UIQKEAPRPFGUBA-UHFFFAOYSA-N 2 1 297.443 0.897 20 30 CCEDMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001267196248 791658467 /nfs/dbraw/zinc/65/84/67/791658467.db2.gz CQPMTZZRTTVDNH-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP N#Cc1cccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234983837 806329097 /nfs/dbraw/zinc/32/90/97/806329097.db2.gz YUAZVTAICQYJHB-HNNXBMFYSA-N 2 1 256.353 0.696 20 30 CCEDMP N#Cc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1F ZINC001234989816 806336196 /nfs/dbraw/zinc/33/61/96/806336196.db2.gz UBSHOHRJJOBXSN-HNNXBMFYSA-N 2 1 274.343 0.835 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001121915412 799092311 /nfs/dbraw/zinc/09/23/11/799092311.db2.gz DRAXZKIVBOAUCH-AWEZNQCLSA-N 2 1 285.391 0.772 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001121915412 799092315 /nfs/dbraw/zinc/09/23/15/799092315.db2.gz DRAXZKIVBOAUCH-AWEZNQCLSA-N 2 1 285.391 0.772 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151057032 800391857 /nfs/dbraw/zinc/39/18/57/800391857.db2.gz QDYMMLMYIOWRLP-QWHCGFSZSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152622202 800544372 /nfs/dbraw/zinc/54/43/72/800544372.db2.gz XIFYQFXFGSHCJP-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152622202 800544377 /nfs/dbraw/zinc/54/43/77/800544377.db2.gz XIFYQFXFGSHCJP-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152622202 800544379 /nfs/dbraw/zinc/54/43/79/800544379.db2.gz XIFYQFXFGSHCJP-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152622202 800544384 /nfs/dbraw/zinc/54/43/84/800544384.db2.gz XIFYQFXFGSHCJP-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155023296 800892071 /nfs/dbraw/zinc/89/20/71/800892071.db2.gz DPMNYHRFIVGRGF-CYBMUJFWSA-N 2 1 298.431 0.067 20 30 CCEDMP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155023296 800892076 /nfs/dbraw/zinc/89/20/76/800892076.db2.gz DPMNYHRFIVGRGF-CYBMUJFWSA-N 2 1 298.431 0.067 20 30 CCEDMP Cc1nc(C#N)cnc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155378470 800962499 /nfs/dbraw/zinc/96/24/99/800962499.db2.gz ZWTYLSLEXOZFQD-AWEZNQCLSA-N 2 1 286.383 0.516 20 30 CCEDMP C[NH2+][C@H]1CCN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001156638529 801205043 /nfs/dbraw/zinc/20/50/43/801205043.db2.gz MCCUFAAILUQQNX-CYBMUJFWSA-N 2 1 257.341 0.745 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)CC1 ZINC001159099077 801759522 /nfs/dbraw/zinc/75/95/22/801759522.db2.gz ZMQGBOAXHQBEQP-GJZGRUSLSA-N 2 1 293.386 0.586 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)CC1 ZINC001159099077 801759526 /nfs/dbraw/zinc/75/95/26/801759526.db2.gz ZMQGBOAXHQBEQP-GJZGRUSLSA-N 2 1 293.386 0.586 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161042403 802074341 /nfs/dbraw/zinc/07/43/41/802074341.db2.gz QMZRUZKZBFVNRG-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001264726483 809675077 /nfs/dbraw/zinc/67/50/77/809675077.db2.gz WUXRYXZYBTZOMV-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001264726483 809675080 /nfs/dbraw/zinc/67/50/80/809675080.db2.gz WUXRYXZYBTZOMV-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001264726483 809675082 /nfs/dbraw/zinc/67/50/82/809675082.db2.gz WUXRYXZYBTZOMV-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203576282 803036054 /nfs/dbraw/zinc/03/60/54/803036054.db2.gz BTBUNIVKQGHHOU-UONOGXRCSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203641699 803039715 /nfs/dbraw/zinc/03/97/15/803039715.db2.gz UJAPCALBCFSQMZ-ZIAGYGMSSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001206794305 803287904 /nfs/dbraw/zinc/28/79/04/803287904.db2.gz LPRWSVJKOMTFEP-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001276562948 803495820 /nfs/dbraw/zinc/49/58/20/803495820.db2.gz JPTTUFATHBSGCL-GJZGRUSLSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001276562948 803495825 /nfs/dbraw/zinc/49/58/25/803495825.db2.gz JPTTUFATHBSGCL-GJZGRUSLSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496006 803518659 /nfs/dbraw/zinc/51/86/59/803518659.db2.gz GJJYSFVMUZJBLU-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297446 803647124 /nfs/dbraw/zinc/64/71/24/803647124.db2.gz GAAGXVHFYDIADA-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213917016 803706645 /nfs/dbraw/zinc/70/66/45/803706645.db2.gz WOCXIINUKMYSOX-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213917016 803706648 /nfs/dbraw/zinc/70/66/48/803706648.db2.gz WOCXIINUKMYSOX-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929547 803706664 /nfs/dbraw/zinc/70/66/64/803706664.db2.gz ANUXUXWBQBTRNJ-ZIAGYGMSSA-N 2 1 281.400 0.165 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929547 803706666 /nfs/dbraw/zinc/70/66/66/803706666.db2.gz ANUXUXWBQBTRNJ-ZIAGYGMSSA-N 2 1 281.400 0.165 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929547 803706668 /nfs/dbraw/zinc/70/66/68/803706668.db2.gz ANUXUXWBQBTRNJ-ZIAGYGMSSA-N 2 1 281.400 0.165 20 30 CCEDMP CCc1nc2c(c(O[C@H]3CNC[C@@H]3C#N)n1)CNC2 ZINC001218203348 803936425 /nfs/dbraw/zinc/93/64/25/803936425.db2.gz QDXHHAUVFIJDKW-KWQFWETISA-N 2 1 259.313 0.133 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073352 804726649 /nfs/dbraw/zinc/72/66/49/804726649.db2.gz RTORPEFOICUPQI-CABCVRRESA-N 2 1 295.427 0.600 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079286 804726793 /nfs/dbraw/zinc/72/67/93/804726793.db2.gz RUEZYVOYUIXVJR-KGLIPLIRSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079286 804726796 /nfs/dbraw/zinc/72/67/96/804726796.db2.gz RUEZYVOYUIXVJR-KGLIPLIRSA-N 2 1 281.400 0.210 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001221406787 804808647 /nfs/dbraw/zinc/80/86/47/804808647.db2.gz IKLIORMLIFHRGY-DYEKYZERSA-N 2 1 251.374 0.572 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001272172984 815036556 /nfs/dbraw/zinc/03/65/56/815036556.db2.gz UOAUPGIPPSRWGH-OAHLLOKOSA-N 2 1 295.427 0.368 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H]1C ZINC001088658662 815051764 /nfs/dbraw/zinc/05/17/64/815051764.db2.gz ODNLBLFEGXOIDS-APIJFGDWSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658662 815051767 /nfs/dbraw/zinc/05/17/67/815051767.db2.gz ODNLBLFEGXOIDS-APIJFGDWSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658662 815051774 /nfs/dbraw/zinc/05/17/74/815051774.db2.gz ODNLBLFEGXOIDS-APIJFGDWSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658662 815051781 /nfs/dbraw/zinc/05/17/81/815051781.db2.gz ODNLBLFEGXOIDS-APIJFGDWSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658662 815051787 /nfs/dbraw/zinc/05/17/87/815051787.db2.gz ODNLBLFEGXOIDS-APIJFGDWSA-N 2 1 295.427 0.861 20 30 CCEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001277299316 805445610 /nfs/dbraw/zinc/44/56/10/805445610.db2.gz PWGCAVDHQGTOMV-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141975 805507085 /nfs/dbraw/zinc/50/70/85/805507085.db2.gz NYPTXBUMHPOZQA-HUUCEWRRSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246020416 807120346 /nfs/dbraw/zinc/12/03/46/807120346.db2.gz LBCKIMOGVSLWBG-OLZOCXBDSA-N 2 1 258.337 0.150 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246020937 807120763 /nfs/dbraw/zinc/12/07/63/807120763.db2.gz KJKOFPZYXNROLS-CHWSQXEVSA-N 2 1 258.337 0.150 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246020937 807120767 /nfs/dbraw/zinc/12/07/67/807120767.db2.gz KJKOFPZYXNROLS-CHWSQXEVSA-N 2 1 258.337 0.150 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246022937 807122144 /nfs/dbraw/zinc/12/21/44/807122144.db2.gz RACFIZQQWLRHNI-STQMWFEESA-N 2 1 260.353 0.703 20 30 CCEDMP N#C[C@@H]1C[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CCN1 ZINC001246556977 807286950 /nfs/dbraw/zinc/28/69/50/807286950.db2.gz IWCMKTVPAGDZKT-YNEHKIRRSA-N 2 1 254.353 0.783 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252463216 807873948 /nfs/dbraw/zinc/87/39/48/807873948.db2.gz MYPOWFFKOXMXHU-HRCADAONSA-N 2 1 297.443 0.260 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC001252465844 807876641 /nfs/dbraw/zinc/87/66/41/807876641.db2.gz KFYKLHYBUVWRJU-CQSZACIVSA-N 2 1 256.390 0.968 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001252465844 807876647 /nfs/dbraw/zinc/87/66/47/807876647.db2.gz KFYKLHYBUVWRJU-CQSZACIVSA-N 2 1 256.390 0.968 20 30 CCEDMP C=C[C@@](C)(O)C[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001252552012 807907390 /nfs/dbraw/zinc/90/73/90/807907390.db2.gz FWPXTBLRAWUHCF-BZUAXINKSA-N 2 1 298.427 0.593 20 30 CCEDMP C=C[C@@](C)(O)C[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001252552012 807907395 /nfs/dbraw/zinc/90/73/95/807907395.db2.gz FWPXTBLRAWUHCF-BZUAXINKSA-N 2 1 298.427 0.593 20 30 CCEDMP C=C[C@@](C)(O)C[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001252552012 807907398 /nfs/dbraw/zinc/90/73/98/807907398.db2.gz FWPXTBLRAWUHCF-BZUAXINKSA-N 2 1 298.427 0.593 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001278689656 807994495 /nfs/dbraw/zinc/99/44/95/807994495.db2.gz GBZZZSXPSMUPRG-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001278761306 808178885 /nfs/dbraw/zinc/17/88/85/808178885.db2.gz DFUUTTNNPYGMDI-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088814997 815194742 /nfs/dbraw/zinc/19/47/42/815194742.db2.gz SXLPRDPPFBEHIQ-QLFBSQMISA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088814997 815194746 /nfs/dbraw/zinc/19/47/46/815194746.db2.gz SXLPRDPPFBEHIQ-QLFBSQMISA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088814997 815194749 /nfs/dbraw/zinc/19/47/49/815194749.db2.gz SXLPRDPPFBEHIQ-QLFBSQMISA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088814997 815194753 /nfs/dbraw/zinc/19/47/53/815194753.db2.gz SXLPRDPPFBEHIQ-QLFBSQMISA-N 2 1 295.427 0.861 20 30 CCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001278865495 808358179 /nfs/dbraw/zinc/35/81/79/808358179.db2.gz ZMNPNZIHGVVMSU-HUUCEWRRSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001278865495 808358188 /nfs/dbraw/zinc/35/81/88/808358188.db2.gz ZMNPNZIHGVVMSU-HUUCEWRRSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001278865495 808358196 /nfs/dbraw/zinc/35/81/96/808358196.db2.gz ZMNPNZIHGVVMSU-HUUCEWRRSA-N 2 1 297.443 0.798 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076243000 815265926 /nfs/dbraw/zinc/26/59/26/815265926.db2.gz ZDNKPGRZIUJCPO-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076243000 815265933 /nfs/dbraw/zinc/26/59/33/815265933.db2.gz ZDNKPGRZIUJCPO-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076243000 815265936 /nfs/dbraw/zinc/26/59/36/815265936.db2.gz ZDNKPGRZIUJCPO-OWCLPIDISA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CCN1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001263812178 809575366 /nfs/dbraw/zinc/57/53/66/809575366.db2.gz IOKYGWXMELIXLK-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001263814657 809576330 /nfs/dbraw/zinc/57/63/30/809576330.db2.gz JQDXVDRVYOJBEN-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001263814657 809576331 /nfs/dbraw/zinc/57/63/31/809576331.db2.gz JQDXVDRVYOJBEN-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP C=CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001265380023 809769189 /nfs/dbraw/zinc/76/91/89/809769189.db2.gz IKGIQDZMVKNFRM-CYBMUJFWSA-N 2 1 262.357 0.862 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001265628224 809816321 /nfs/dbraw/zinc/81/63/21/809816321.db2.gz SFCSREWPRVFEBY-HNNXBMFYSA-N 2 1 293.411 0.170 20 30 CCEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266040724 809924633 /nfs/dbraw/zinc/92/46/33/809924633.db2.gz NIZQJDCUIXZUFV-HNNXBMFYSA-N 2 1 295.427 0.415 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038267347 811109880 /nfs/dbraw/zinc/10/98/80/811109880.db2.gz UHWXUVATMNGCEU-ZDUSSCGKSA-N 2 1 291.399 0.435 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038267347 811109884 /nfs/dbraw/zinc/10/98/84/811109884.db2.gz UHWXUVATMNGCEU-ZDUSSCGKSA-N 2 1 291.399 0.435 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267307232 811128805 /nfs/dbraw/zinc/12/88/05/811128805.db2.gz OMRSXASEWWSOED-UONOGXRCSA-N 2 1 265.401 0.644 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083560278 815434055 /nfs/dbraw/zinc/43/40/55/815434055.db2.gz YPAHARQEQFQICP-KGLIPLIRSA-N 2 1 293.411 0.210 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083560278 815434057 /nfs/dbraw/zinc/43/40/57/815434057.db2.gz YPAHARQEQFQICP-KGLIPLIRSA-N 2 1 293.411 0.210 20 30 CCEDMP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267419980 811292473 /nfs/dbraw/zinc/29/24/73/811292473.db2.gz XPPFJHCMWCJMLX-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001267622233 811579669 /nfs/dbraw/zinc/57/96/69/811579669.db2.gz RHHPLTSMZVQKKM-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001279746274 811632982 /nfs/dbraw/zinc/63/29/82/811632982.db2.gz KBSZWGFLIMDLMX-GJZGRUSLSA-N 2 1 293.411 0.047 20 30 CCEDMP CSc1nc(C)c(C#N)c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167878005 812376942 /nfs/dbraw/zinc/37/69/42/812376942.db2.gz MADUAZAADLVRAO-UHFFFAOYSA-N 2 1 293.400 0.476 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001268226089 812381706 /nfs/dbraw/zinc/38/17/06/812381706.db2.gz VZZSFSYAISQMOW-AWEZNQCLSA-N 2 1 281.400 0.475 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001268226089 812381710 /nfs/dbraw/zinc/38/17/10/812381710.db2.gz VZZSFSYAISQMOW-AWEZNQCLSA-N 2 1 281.400 0.475 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC ZINC001268458868 812601580 /nfs/dbraw/zinc/60/15/80/812601580.db2.gz JZFAXTTVLHVGBG-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC ZINC001268458868 812601583 /nfs/dbraw/zinc/60/15/83/812601583.db2.gz JZFAXTTVLHVGBG-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028320335 812612736 /nfs/dbraw/zinc/61/27/36/812612736.db2.gz QEUZSEIRUSANCY-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028320335 812612738 /nfs/dbraw/zinc/61/27/38/812612738.db2.gz QEUZSEIRUSANCY-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028320335 812612747 /nfs/dbraw/zinc/61/27/47/812612747.db2.gz QEUZSEIRUSANCY-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001028329398 812623600 /nfs/dbraw/zinc/62/36/00/812623600.db2.gz LGMZQGHCTWMRHB-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001028329398 812623603 /nfs/dbraw/zinc/62/36/03/812623603.db2.gz LGMZQGHCTWMRHB-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329398 812623606 /nfs/dbraw/zinc/62/36/06/812623606.db2.gz LGMZQGHCTWMRHB-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329398 812623611 /nfs/dbraw/zinc/62/36/11/812623611.db2.gz LGMZQGHCTWMRHB-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268500982 812713352 /nfs/dbraw/zinc/71/33/52/812713352.db2.gz TVKSMYVEBSOLRU-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268500982 812713357 /nfs/dbraw/zinc/71/33/57/812713357.db2.gz TVKSMYVEBSOLRU-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028538321 812826962 /nfs/dbraw/zinc/82/69/62/812826962.db2.gz BMKLEAWGWVNTOA-HOCLYGCPSA-N 2 1 289.423 0.790 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028594494 812932009 /nfs/dbraw/zinc/93/20/09/812932009.db2.gz HLHOWAMHKCZMQD-UONOGXRCSA-N 2 1 286.379 0.832 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028594494 812932012 /nfs/dbraw/zinc/93/20/12/812932012.db2.gz HLHOWAMHKCZMQD-UONOGXRCSA-N 2 1 286.379 0.832 20 30 CCEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268752428 813062244 /nfs/dbraw/zinc/06/22/44/813062244.db2.gz NNBYHXFPMPJRFS-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268752428 813062249 /nfs/dbraw/zinc/06/22/49/813062249.db2.gz NNBYHXFPMPJRFS-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268752428 813062253 /nfs/dbraw/zinc/06/22/53/813062253.db2.gz NNBYHXFPMPJRFS-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CCOCC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001268879794 813130481 /nfs/dbraw/zinc/13/04/81/813130481.db2.gz WFILRVRCKPTDSG-AWEZNQCLSA-N 2 1 295.427 0.579 20 30 CCEDMP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC#CCOC)C1 ZINC001268900696 813138610 /nfs/dbraw/zinc/13/86/10/813138610.db2.gz LMKIYUFMOHVYHW-UHFFFAOYSA-N 2 1 281.400 0.026 20 30 CCEDMP CCC[N@@H+](C)CC(=O)NCC1C[NH+](CC#CCOC)C1 ZINC001268900696 813138615 /nfs/dbraw/zinc/13/86/15/813138615.db2.gz LMKIYUFMOHVYHW-UHFFFAOYSA-N 2 1 281.400 0.026 20 30 CCEDMP C#CC[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC001269563721 813422003 /nfs/dbraw/zinc/42/20/03/813422003.db2.gz IEOKPMKQRPBFOL-UHFFFAOYSA-N 2 1 274.368 0.843 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001269970467 813571739 /nfs/dbraw/zinc/57/17/39/813571739.db2.gz CVGHMFDYWUMDPL-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001270624152 813847613 /nfs/dbraw/zinc/84/76/13/813847613.db2.gz OHHNGWSHYWVUEP-OAHLLOKOSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001271351210 814388220 /nfs/dbraw/zinc/38/82/20/814388220.db2.gz WKTYRSWQDPKSFL-UHFFFAOYSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001280414685 814513732 /nfs/dbraw/zinc/51/37/32/814513732.db2.gz CSCFQLVPYILADX-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001280414685 814513738 /nfs/dbraw/zinc/51/37/38/814513738.db2.gz CSCFQLVPYILADX-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001271860150 814613900 /nfs/dbraw/zinc/61/39/00/814613900.db2.gz GKBLWSPWPBPRAW-ZIAGYGMSSA-N 2 1 265.401 0.834 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030348622 815988474 /nfs/dbraw/zinc/98/84/74/815988474.db2.gz VMELLMCVOBKDGU-KBPBESRZSA-N 2 1 279.384 0.226 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030348622 815988477 /nfs/dbraw/zinc/98/84/77/815988477.db2.gz VMELLMCVOBKDGU-KBPBESRZSA-N 2 1 279.384 0.226 20 30 CCEDMP C=CC[NH2+]CCN(CCO)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001272315599 816304031 /nfs/dbraw/zinc/30/40/31/816304031.db2.gz SDLJJKKMCNYJAY-OKILXGFUSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077505132 816327058 /nfs/dbraw/zinc/32/70/58/816327058.db2.gz PURVXDHRCGRRLR-ZIAGYGMSSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077505132 816327068 /nfs/dbraw/zinc/32/70/68/816327068.db2.gz PURVXDHRCGRRLR-ZIAGYGMSSA-N 2 1 293.411 0.045 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031584316 817165101 /nfs/dbraw/zinc/16/51/01/817165101.db2.gz BPXRBTWYVOWRHM-CYBMUJFWSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765101 817348360 /nfs/dbraw/zinc/34/83/60/817348360.db2.gz AJFURIAWHJFACQ-TZMCWYRMSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765101 817348367 /nfs/dbraw/zinc/34/83/67/817348367.db2.gz AJFURIAWHJFACQ-TZMCWYRMSA-N 2 1 281.400 0.330 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981397 817568590 /nfs/dbraw/zinc/56/85/90/817568590.db2.gz MIIWGEPWYBPXRA-QLFBSQMISA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009027 817643198 /nfs/dbraw/zinc/64/31/98/817643198.db2.gz IDGPGRPQWQYDJB-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009027 817643204 /nfs/dbraw/zinc/64/32/04/817643204.db2.gz IDGPGRPQWQYDJB-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511919 817643555 /nfs/dbraw/zinc/64/35/55/817643555.db2.gz YMBKLXOHRRTZNB-KBPBESRZSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511919 817643563 /nfs/dbraw/zinc/64/35/63/817643563.db2.gz YMBKLXOHRRTZNB-KBPBESRZSA-N 2 1 281.400 0.018 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780420 817860970 /nfs/dbraw/zinc/86/09/70/817860970.db2.gz YTMDQWJBYQLXDJ-OLZOCXBDSA-N 2 1 267.373 0.132 20 30 CCEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273017938 818430062 /nfs/dbraw/zinc/43/00/62/818430062.db2.gz FGRNXPZAHASHFW-CHWSQXEVSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082579 818499641 /nfs/dbraw/zinc/49/96/41/818499641.db2.gz SAZKBDDUPRCOPH-CABCVRRESA-N 2 1 275.396 0.494 20 30 CCEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033186734 818634842 /nfs/dbraw/zinc/63/48/42/818634842.db2.gz YXACOJILIGMCCU-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033186734 818634849 /nfs/dbraw/zinc/63/48/49/818634849.db2.gz YXACOJILIGMCCU-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033186734 818634856 /nfs/dbraw/zinc/63/48/56/818634856.db2.gz YXACOJILIGMCCU-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033186734 818634862 /nfs/dbraw/zinc/63/48/62/818634862.db2.gz YXACOJILIGMCCU-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357601 818738481 /nfs/dbraw/zinc/73/84/81/818738481.db2.gz INZNSZYOGOKBPJ-HUUCEWRRSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357601 818738484 /nfs/dbraw/zinc/73/84/84/818738484.db2.gz INZNSZYOGOKBPJ-HUUCEWRRSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357601 818738487 /nfs/dbraw/zinc/73/84/87/818738487.db2.gz INZNSZYOGOKBPJ-HUUCEWRRSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357601 818738492 /nfs/dbraw/zinc/73/84/92/818738492.db2.gz INZNSZYOGOKBPJ-HUUCEWRRSA-N 2 1 295.427 0.814 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001080782637 820637148 /nfs/dbraw/zinc/63/71/48/820637148.db2.gz UOQSLEGDZXPTLX-TZMCWYRMSA-N 2 1 274.368 0.422 20 30 CCEDMP CC#CCN1C[C@@H](C)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001080782637 820637154 /nfs/dbraw/zinc/63/71/54/820637154.db2.gz UOQSLEGDZXPTLX-TZMCWYRMSA-N 2 1 274.368 0.422 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080935500 820658020 /nfs/dbraw/zinc/65/80/20/820658020.db2.gz XGKWEUPMITVICC-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080935500 820658024 /nfs/dbraw/zinc/65/80/24/820658024.db2.gz XGKWEUPMITVICC-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080935500 820658030 /nfs/dbraw/zinc/65/80/30/820658030.db2.gz XGKWEUPMITVICC-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@H](OC)C1 ZINC001082394784 820955386 /nfs/dbraw/zinc/95/53/86/820955386.db2.gz FXDHGDIFKCNPGA-ZIAGYGMSSA-N 2 1 292.383 0.665 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520655 820993642 /nfs/dbraw/zinc/99/36/42/820993642.db2.gz KYPRISIVKYQTBA-AAVRWANBSA-N 2 1 265.401 0.949 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702806 821020543 /nfs/dbraw/zinc/02/05/43/821020543.db2.gz JGZGUCHRSDFPOI-RBSFLKMASA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702806 821020551 /nfs/dbraw/zinc/02/05/51/821020551.db2.gz JGZGUCHRSDFPOI-RBSFLKMASA-N 2 1 295.427 0.718 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001084943709 821438250 /nfs/dbraw/zinc/43/82/50/821438250.db2.gz UXTYTPKZYJEMJP-FPCVCCKLSA-N 2 1 289.423 0.883 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871603 821467311 /nfs/dbraw/zinc/46/73/11/821467311.db2.gz HUKRFSYPIDJISZ-STQMWFEESA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001273311118 821606609 /nfs/dbraw/zinc/60/66/09/821606609.db2.gz CYUMMPUJVNOHPH-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001273311118 821606615 /nfs/dbraw/zinc/60/66/15/821606615.db2.gz CYUMMPUJVNOHPH-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085428519 821682484 /nfs/dbraw/zinc/68/24/84/821682484.db2.gz GAJQVQSXJZASPI-KFWWJZLASA-N 2 1 295.427 0.910 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001085428519 821682489 /nfs/dbraw/zinc/68/24/89/821682489.db2.gz GAJQVQSXJZASPI-KFWWJZLASA-N 2 1 295.427 0.910 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001086101946 822113878 /nfs/dbraw/zinc/11/38/78/822113878.db2.gz BZXUHKSABRGFCH-ZNMIVQPWSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001086197756 822151727 /nfs/dbraw/zinc/15/17/27/822151727.db2.gz ZMGQXNLJQYDZTP-MQYQWHSLSA-N 2 1 263.385 0.302 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086276081 822183516 /nfs/dbraw/zinc/18/35/16/822183516.db2.gz BCTXXSAJMSSUFW-HZSPNIEDSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086276081 822183522 /nfs/dbraw/zinc/18/35/22/822183522.db2.gz BCTXXSAJMSSUFW-HZSPNIEDSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001086326999 822208423 /nfs/dbraw/zinc/20/84/23/822208423.db2.gz LCFOTCVWYIDDLZ-JHJVBQTASA-N 2 1 251.374 0.751 20 30 CCEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001114042253 837414558 /nfs/dbraw/zinc/41/45/58/837414558.db2.gz YWHFMOJWNFSCGZ-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114042253 837414566 /nfs/dbraw/zinc/41/45/66/837414566.db2.gz YWHFMOJWNFSCGZ-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114042253 837414571 /nfs/dbraw/zinc/41/45/71/837414571.db2.gz YWHFMOJWNFSCGZ-LJISPDSOSA-N 2 1 293.411 0.330 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCC1CC1 ZINC001129770558 837557892 /nfs/dbraw/zinc/55/78/92/837557892.db2.gz IRFXUYUMYURAOP-HNNXBMFYSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCC1CC1 ZINC001129770558 837557902 /nfs/dbraw/zinc/55/79/02/837557902.db2.gz IRFXUYUMYURAOP-HNNXBMFYSA-N 2 1 293.411 0.216 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187850623 844781441 /nfs/dbraw/zinc/78/14/41/844781441.db2.gz DJFYZXDUOBILAT-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109846780 836738046 /nfs/dbraw/zinc/73/80/46/836738046.db2.gz WCHIEKBRNMMODL-ILXRZTDVSA-N 2 1 293.411 0.616 20 30 CCEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109846780 836738055 /nfs/dbraw/zinc/73/80/55/836738055.db2.gz WCHIEKBRNMMODL-ILXRZTDVSA-N 2 1 293.411 0.616 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520512 838120373 /nfs/dbraw/zinc/12/03/73/838120373.db2.gz ZYXGBVSOXVKSQK-JVWICGRDSA-N 2 1 279.384 0.132 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886629 838513455 /nfs/dbraw/zinc/51/34/55/838513455.db2.gz PNWGQZFZZVAVGD-KBPBESRZSA-N 2 1 281.400 0.072 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001133000992 838531199 /nfs/dbraw/zinc/53/11/99/838531199.db2.gz PETXKUXPZBLWCL-GFCCVEGCSA-N 2 1 260.341 0.093 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133862605 838754493 /nfs/dbraw/zinc/75/44/93/838754493.db2.gz DPFKCMTWYSLTGK-OLZOCXBDSA-N 2 1 253.390 0.856 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090538414 839625984 /nfs/dbraw/zinc/62/59/84/839625984.db2.gz QUMHVFPUGWLYNP-HUUCEWRRSA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001090845832 839850916 /nfs/dbraw/zinc/85/09/16/839850916.db2.gz AQLGVAGRYJWRTO-KGLIPLIRSA-N 2 1 292.383 0.401 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001090954676 839913760 /nfs/dbraw/zinc/91/37/60/839913760.db2.gz LCFOTCVWYIDDLZ-WXRRBKDZSA-N 2 1 251.374 0.751 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171227563 840154439 /nfs/dbraw/zinc/15/44/39/840154439.db2.gz PYJZOYPHPSLVPT-CYBMUJFWSA-N 2 1 251.374 0.447 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174355 840756092 /nfs/dbraw/zinc/75/60/92/840756092.db2.gz KKMANXLRBPWBJD-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001148843352 840896283 /nfs/dbraw/zinc/89/62/83/840896283.db2.gz GKAAIRJVEOGJTK-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148843352 840896292 /nfs/dbraw/zinc/89/62/92/840896292.db2.gz GKAAIRJVEOGJTK-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148843352 840896302 /nfs/dbraw/zinc/89/63/02/840896302.db2.gz GKAAIRJVEOGJTK-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H]1C ZINC001179982682 843089909 /nfs/dbraw/zinc/08/99/09/843089909.db2.gz CORFMIIBEBOYFQ-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001180135081 843104540 /nfs/dbraw/zinc/10/45/40/843104540.db2.gz AACWMNWWHWWQAX-JSGCOSHPSA-N 2 1 274.368 0.794 20 30 CCEDMP C=C(C[NH+]1CCCC1)C(=O)NCCn1cc[nH+]c1C ZINC001183080177 843960516 /nfs/dbraw/zinc/96/05/16/843960516.db2.gz NRHGASLDUKKDFI-UHFFFAOYSA-N 2 1 262.357 0.960 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151740263 845004213 /nfs/dbraw/zinc/00/42/13/845004213.db2.gz RFNMCTSVIZGPGV-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151740263 845004224 /nfs/dbraw/zinc/00/42/24/845004224.db2.gz RFNMCTSVIZGPGV-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221910 845356723 /nfs/dbraw/zinc/35/67/23/845356723.db2.gz SOHNZKJFRAPTRY-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC#CC)C1 ZINC001190723707 845477190 /nfs/dbraw/zinc/47/71/90/845477190.db2.gz JCCPSUYCIHRMIA-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC#CC)C1 ZINC001190723707 845477197 /nfs/dbraw/zinc/47/71/97/845477197.db2.gz JCCPSUYCIHRMIA-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC#CC)C1 ZINC001190723707 845477203 /nfs/dbraw/zinc/47/72/03/845477203.db2.gz JCCPSUYCIHRMIA-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC#CC)C1 ZINC001190723707 845477209 /nfs/dbraw/zinc/47/72/09/845477209.db2.gz JCCPSUYCIHRMIA-CVEARBPZSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190901119 845525687 /nfs/dbraw/zinc/52/56/87/845525687.db2.gz VIXIXIHMCMWNSV-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190901119 845525692 /nfs/dbraw/zinc/52/56/92/845525692.db2.gz VIXIXIHMCMWNSV-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901119 845525700 /nfs/dbraw/zinc/52/57/00/845525700.db2.gz VIXIXIHMCMWNSV-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901119 845525709 /nfs/dbraw/zinc/52/57/09/845525709.db2.gz VIXIXIHMCMWNSV-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192386065 845834485 /nfs/dbraw/zinc/83/44/85/845834485.db2.gz NBLZSTWUTLPFPU-KBPBESRZSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462804 846083593 /nfs/dbraw/zinc/08/35/93/846083593.db2.gz PZSCIZWQALCBHL-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193462804 846083594 /nfs/dbraw/zinc/08/35/94/846083594.db2.gz PZSCIZWQALCBHL-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193462804 846083597 /nfs/dbraw/zinc/08/35/97/846083597.db2.gz PZSCIZWQALCBHL-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203794814 846303338 /nfs/dbraw/zinc/30/33/38/846303338.db2.gz ZCMQHHBVQMOFBR-KBPBESRZSA-N 2 1 277.412 0.977 20 30 CCEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001195403764 846521646 /nfs/dbraw/zinc/52/16/46/846521646.db2.gz HYDQRPNULRLXAG-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001195403764 846521653 /nfs/dbraw/zinc/52/16/53/846521653.db2.gz HYDQRPNULRLXAG-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001195403764 846521662 /nfs/dbraw/zinc/52/16/62/846521662.db2.gz HYDQRPNULRLXAG-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001195403764 846521669 /nfs/dbraw/zinc/52/16/69/846521669.db2.gz HYDQRPNULRLXAG-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195700341 846603935 /nfs/dbraw/zinc/60/39/35/846603935.db2.gz ARQZSSITEOUXIQ-RBSFLKMASA-N 2 1 297.443 0.844 20 30 CCEDMP CC[C@H](C(=O)N1CCC[N@H+](CC#CCOC)CC1)[NH+](C)C ZINC001196275194 846722592 /nfs/dbraw/zinc/72/25/92/846722592.db2.gz HGFOEKDEJSYZOY-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CC[C@H](C(=O)N1CCC[N@@H+](CC#CCOC)CC1)[NH+](C)C ZINC001196275194 846722597 /nfs/dbraw/zinc/72/25/97/846722597.db2.gz HGFOEKDEJSYZOY-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CC[NH+](CC)CC(=O)N1CCC[N@H+](CC#CCOC)CC1 ZINC001197492711 846914537 /nfs/dbraw/zinc/91/45/37/846914537.db2.gz WNEYVBBJXGDFAK-UHFFFAOYSA-N 2 1 295.427 0.512 20 30 CCEDMP CC[NH+](CC)CC(=O)N1CCC[N@@H+](CC#CCOC)CC1 ZINC001197492711 846914547 /nfs/dbraw/zinc/91/45/47/846914547.db2.gz WNEYVBBJXGDFAK-UHFFFAOYSA-N 2 1 295.427 0.512 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CCc2cnc[nH]2)CCCO1 ZINC001200648757 847678103 /nfs/dbraw/zinc/67/81/03/847678103.db2.gz QLCYIKVISDNWQD-AWEZNQCLSA-N 2 1 292.383 0.735 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200807596 847693616 /nfs/dbraw/zinc/69/36/16/847693616.db2.gz WHQWBZLXOLVCMR-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200807047 847694635 /nfs/dbraw/zinc/69/46/35/847694635.db2.gz UVFWRZGHZWRGGM-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273881448 847726396 /nfs/dbraw/zinc/72/63/96/847726396.db2.gz NOUPOSFFUKRXQG-UKRRQHHQSA-N 2 1 281.400 0.162 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201800391 847812650 /nfs/dbraw/zinc/81/26/50/847812650.db2.gz JHAVELZMDHZTJV-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059934 847851725 /nfs/dbraw/zinc/85/17/25/847851725.db2.gz SWIQWXJCDVTNQR-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056640 847851918 /nfs/dbraw/zinc/85/19/18/847851918.db2.gz AKIPUSSMNDRINB-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114407550 848050237 /nfs/dbraw/zinc/05/02/37/848050237.db2.gz YYCBLECVDFQWNV-WDNDVIMCSA-N 2 1 275.396 0.540 20 30 CCEDMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](CCC#N)C2)C1=O ZINC001274031394 848312041 /nfs/dbraw/zinc/31/20/41/848312041.db2.gz PILHNTOYZHDHEO-AWEZNQCLSA-N 2 1 264.373 0.386 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001274771681 848564077 /nfs/dbraw/zinc/56/40/77/848564077.db2.gz DRIPFMUMKZWZAH-JSGCOSHPSA-N 2 1 288.395 0.872 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001274985967 848608092 /nfs/dbraw/zinc/60/80/92/848608092.db2.gz ILBJSAOSZGDCLS-CHWSQXEVSA-N 2 1 253.390 0.999 20 30 CCEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275573957 848765975 /nfs/dbraw/zinc/76/59/75/848765975.db2.gz KXSLHRMJZGDRPW-CYBMUJFWSA-N 2 1 265.401 0.931 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001275731222 848803049 /nfs/dbraw/zinc/80/30/49/848803049.db2.gz ZXOKWVYXXBXWKK-CQSZACIVSA-N 2 1 283.416 0.413 20 30 CCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001275731222 848803052 /nfs/dbraw/zinc/80/30/52/848803052.db2.gz ZXOKWVYXXBXWKK-CQSZACIVSA-N 2 1 283.416 0.413 20 30 CCEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001275731222 848803057 /nfs/dbraw/zinc/80/30/57/848803057.db2.gz ZXOKWVYXXBXWKK-CQSZACIVSA-N 2 1 283.416 0.413 20 30 CCEDMP C#CCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001275975449 848878230 /nfs/dbraw/zinc/87/82/30/848878230.db2.gz DGVPDDNVRDIMRQ-ZIAGYGMSSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CC#C)C2 ZINC001095556178 848988071 /nfs/dbraw/zinc/98/80/71/848988071.db2.gz BYRLTJHXVPEKED-QZWWFDLISA-N 2 1 299.418 0.829 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778244 849392090 /nfs/dbraw/zinc/39/20/90/849392090.db2.gz HLHLLDOHLGXJIZ-NHAGDIPZSA-N 2 1 281.400 0.187 20 30 CCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041141578 849537355 /nfs/dbraw/zinc/53/73/55/849537355.db2.gz OOLRCUSCEYIHBI-ZBFHGGJFSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001041141578 849537357 /nfs/dbraw/zinc/53/73/57/849537357.db2.gz OOLRCUSCEYIHBI-ZBFHGGJFSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001041141578 849537360 /nfs/dbraw/zinc/53/73/60/849537360.db2.gz OOLRCUSCEYIHBI-ZBFHGGJFSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041632461 850478601 /nfs/dbraw/zinc/47/86/01/850478601.db2.gz INGSQBZLCOGWGT-KRWDZBQOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001044005537 850982719 /nfs/dbraw/zinc/98/27/19/850982719.db2.gz UYYRUIPJZXXDAB-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001045557179 851277526 /nfs/dbraw/zinc/27/75/26/851277526.db2.gz XGMMPSLQZSYZOS-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046416486 851495047 /nfs/dbraw/zinc/49/50/47/851495047.db2.gz ZGCHGRDWOWHVAN-IIAWOOMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046416486 851495053 /nfs/dbraw/zinc/49/50/53/851495053.db2.gz ZGCHGRDWOWHVAN-IIAWOOMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046416486 851495057 /nfs/dbraw/zinc/49/50/57/851495057.db2.gz ZGCHGRDWOWHVAN-IIAWOOMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046416486 851495062 /nfs/dbraw/zinc/49/50/62/851495062.db2.gz ZGCHGRDWOWHVAN-IIAWOOMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317656134 900743948 /nfs/dbraw/zinc/74/39/48/900743948.db2.gz UPVSONQQRGXHQA-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049213413 852193615 /nfs/dbraw/zinc/19/36/15/852193615.db2.gz PGLJVVYHDNPSOG-MCIONIFRSA-N 2 1 263.385 0.514 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213413 852193623 /nfs/dbraw/zinc/19/36/23/852193623.db2.gz PGLJVVYHDNPSOG-MCIONIFRSA-N 2 1 263.385 0.514 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213413 852193627 /nfs/dbraw/zinc/19/36/27/852193627.db2.gz PGLJVVYHDNPSOG-MCIONIFRSA-N 2 1 263.385 0.514 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049215222 852195919 /nfs/dbraw/zinc/19/59/19/852195919.db2.gz OIVXUVASTZADLD-SOUVJXGZSA-N 2 1 275.396 0.352 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049215222 852195926 /nfs/dbraw/zinc/19/59/26/852195926.db2.gz OIVXUVASTZADLD-SOUVJXGZSA-N 2 1 275.396 0.352 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049215222 852195934 /nfs/dbraw/zinc/19/59/34/852195934.db2.gz OIVXUVASTZADLD-SOUVJXGZSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001096887975 852461031 /nfs/dbraw/zinc/46/10/31/852461031.db2.gz YQESYDHIVISLHQ-APIJFGDWSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001096887975 852461036 /nfs/dbraw/zinc/46/10/36/852461036.db2.gz YQESYDHIVISLHQ-APIJFGDWSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001096887975 852461041 /nfs/dbraw/zinc/46/10/41/852461041.db2.gz YQESYDHIVISLHQ-APIJFGDWSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001096887975 852461044 /nfs/dbraw/zinc/46/10/44/852461044.db2.gz YQESYDHIVISLHQ-APIJFGDWSA-N 2 1 275.396 0.825 20 30 CCEDMP C[NH+](C)CCN1CC[N@H+]([C@H]2CC[C@H](C#N)C2)CCC1=O ZINC001254668565 852903907 /nfs/dbraw/zinc/90/39/07/852903907.db2.gz GVTLGSSDCDEPLH-KBPBESRZSA-N 2 1 278.400 0.775 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276930 853724011 /nfs/dbraw/zinc/72/40/11/853724011.db2.gz NNFYTLWDWBEDNS-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276930 853724016 /nfs/dbraw/zinc/72/40/16/853724016.db2.gz NNFYTLWDWBEDNS-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052276930 853724023 /nfs/dbraw/zinc/72/40/23/853724023.db2.gz NNFYTLWDWBEDNS-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052276930 853724029 /nfs/dbraw/zinc/72/40/29/853724029.db2.gz NNFYTLWDWBEDNS-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001099160292 854918610 /nfs/dbraw/zinc/91/86/10/854918610.db2.gz NZASMGGGGKEILA-ZOBUZTSGSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001099160292 854918614 /nfs/dbraw/zinc/91/86/14/854918614.db2.gz NZASMGGGGKEILA-ZOBUZTSGSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001099160292 854918624 /nfs/dbraw/zinc/91/86/24/854918624.db2.gz NZASMGGGGKEILA-ZOBUZTSGSA-N 2 1 289.423 0.932 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100047832 855084223 /nfs/dbraw/zinc/08/42/23/855084223.db2.gz BMXJCWMLCKQHDU-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234408 855505297 /nfs/dbraw/zinc/50/52/97/855505297.db2.gz QIFYARLMOOLIQN-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234408 855505300 /nfs/dbraw/zinc/50/53/00/855505300.db2.gz QIFYARLMOOLIQN-UKRRQHHQSA-N 2 1 288.395 0.899 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC001325029275 913160822 /nfs/dbraw/zinc/16/08/22/913160822.db2.gz SOHVGHCMRAAHOH-AWEZNQCLSA-N 2 1 295.427 0.769 20 30 CCEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481507436 892757285 /nfs/dbraw/zinc/75/72/85/892757285.db2.gz YICPHUKFHZRYJT-HUUCEWRRSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001481507436 892757294 /nfs/dbraw/zinc/75/72/94/892757294.db2.gz YICPHUKFHZRYJT-HUUCEWRRSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481507436 892757302 /nfs/dbraw/zinc/75/73/02/892757302.db2.gz YICPHUKFHZRYJT-HUUCEWRRSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[NH2+][C@H](CC)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001481820574 893187843 /nfs/dbraw/zinc/18/78/43/893187843.db2.gz GGXOMMDKZRPLMP-KGLIPLIRSA-N 2 1 265.401 0.978 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001483379264 895522213 /nfs/dbraw/zinc/52/22/13/895522213.db2.gz SWJFTAUIYTVRCW-AWEZNQCLSA-N 2 1 283.416 0.415 20 30 CCEDMP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001483587863 895666159 /nfs/dbraw/zinc/66/61/59/895666159.db2.gz OGCRTUHIYQCWDW-HIFRSBDPSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001326508290 913991480 /nfs/dbraw/zinc/99/14/80/913991480.db2.gz RLCOKDBUFPCSBN-KKUMJFAQSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484070916 896182819 /nfs/dbraw/zinc/18/28/19/896182819.db2.gz IYOXVBOPLYADTO-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484070916 896182821 /nfs/dbraw/zinc/18/28/21/896182821.db2.gz IYOXVBOPLYADTO-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484070916 896182823 /nfs/dbraw/zinc/18/28/23/896182823.db2.gz IYOXVBOPLYADTO-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CCC(CO)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001485028168 896724531 /nfs/dbraw/zinc/72/45/31/896724531.db2.gz KUEQCSGIEVBNFT-UHFFFAOYSA-N 2 1 297.443 0.847 20 30 CCEDMP C#CCN(C)C[C@H]1CCCN1C(=O)CCc1cncn1C ZINC001485074896 896756570 /nfs/dbraw/zinc/75/65/70/896756570.db2.gz INJKFLLAKDFRDO-OAHLLOKOSA-N 2 1 288.395 0.909 20 30 CCEDMP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ncc[nH]1 ZINC001032379039 897369203 /nfs/dbraw/zinc/36/92/03/897369203.db2.gz FXALSAARTQVNBN-STQMWFEESA-N 2 1 272.352 0.651 20 30 CCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001326798418 914183745 /nfs/dbraw/zinc/18/37/45/914183745.db2.gz NTGOEFJPEWEINW-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783562 898186432 /nfs/dbraw/zinc/18/64/32/898186432.db2.gz GVXOWPABSPSNSW-KBPBESRZSA-N 2 1 261.369 0.391 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783562 898186437 /nfs/dbraw/zinc/18/64/37/898186437.db2.gz GVXOWPABSPSNSW-KBPBESRZSA-N 2 1 261.369 0.391 20 30 CCEDMP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001486126890 898687245 /nfs/dbraw/zinc/68/72/45/898687245.db2.gz DWWJZXDIMSBAOT-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001486336305 898798268 /nfs/dbraw/zinc/79/82/68/898798268.db2.gz HWIJMLOUDXGERQ-GJZGRUSLSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001486336305 898798277 /nfs/dbraw/zinc/79/82/77/898798277.db2.gz HWIJMLOUDXGERQ-GJZGRUSLSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001486336305 898798289 /nfs/dbraw/zinc/79/82/89/898798289.db2.gz HWIJMLOUDXGERQ-GJZGRUSLSA-N 2 1 297.443 0.798 20 30 CCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC001486389551 898850324 /nfs/dbraw/zinc/85/03/24/898850324.db2.gz AUKDFOFMWIFGGD-KBPBESRZSA-N 2 1 295.427 0.461 20 30 CCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC001486389551 898850332 /nfs/dbraw/zinc/85/03/32/898850332.db2.gz AUKDFOFMWIFGGD-KBPBESRZSA-N 2 1 295.427 0.461 20 30 CCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001486495966 898904380 /nfs/dbraw/zinc/90/43/80/898904380.db2.gz KARMUYGMRZEGKD-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001491566388 904010171 /nfs/dbraw/zinc/01/01/71/904010171.db2.gz SGOXMYICCSTQQZ-TZMCWYRMSA-N 2 1 288.395 0.872 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001316606055 904152247 /nfs/dbraw/zinc/15/22/47/904152247.db2.gz SQCWPMJDBAKTMM-KBPBESRZSA-N 2 1 265.401 0.883 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001283102393 904694249 /nfs/dbraw/zinc/69/42/49/904694249.db2.gz NNTURNURRUDDEO-IHRRRGAJSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001491849763 907604378 /nfs/dbraw/zinc/60/43/78/907604378.db2.gz LQQKGZYBSAVCGU-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001382392795 907709143 /nfs/dbraw/zinc/70/91/43/907709143.db2.gz VTLSXVNQWXJPCT-RYUDHWBXSA-N 2 1 289.807 0.242 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](C)CCC[C@@H](C)O ZINC001492293887 907857851 /nfs/dbraw/zinc/85/78/51/907857851.db2.gz PRYNKEMBOAZNJJ-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC[C@@H](C)O ZINC001492293887 907857865 /nfs/dbraw/zinc/85/78/65/907857865.db2.gz PRYNKEMBOAZNJJ-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCC[C@@H](C)O ZINC001492293887 907857880 /nfs/dbraw/zinc/85/78/80/907857880.db2.gz PRYNKEMBOAZNJJ-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC[C@@H](C)O ZINC001492293887 907857896 /nfs/dbraw/zinc/85/78/96/907857896.db2.gz PRYNKEMBOAZNJJ-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC[C@@H](C)O ZINC001492293887 907857911 /nfs/dbraw/zinc/85/79/11/907857911.db2.gz PRYNKEMBOAZNJJ-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001317490514 908497328 /nfs/dbraw/zinc/49/73/28/908497328.db2.gz YDEKXPVVTVISFG-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001316746751 908765480 /nfs/dbraw/zinc/76/54/80/908765480.db2.gz FWNNIXQEPMVRDV-HNNXBMFYSA-N 2 1 293.411 0.001 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001317186725 909036498 /nfs/dbraw/zinc/03/64/98/909036498.db2.gz BEAVDRPRDAIGHO-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317343488 909151283 /nfs/dbraw/zinc/15/12/83/909151283.db2.gz LLFOXTMACRGBGC-KGLIPLIRSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001317359744 909157456 /nfs/dbraw/zinc/15/74/56/909157456.db2.gz OVLFANNTJBJQRU-CABCVRRESA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001317449163 909217247 /nfs/dbraw/zinc/21/72/47/909217247.db2.gz JYTYRYUOOJEVLH-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001317449163 909217258 /nfs/dbraw/zinc/21/72/58/909217258.db2.gz JYTYRYUOOJEVLH-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001317449163 909217272 /nfs/dbraw/zinc/21/72/72/909217272.db2.gz JYTYRYUOOJEVLH-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001317449163 909217284 /nfs/dbraw/zinc/21/72/84/909217284.db2.gz JYTYRYUOOJEVLH-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317458954 909239556 /nfs/dbraw/zinc/23/95/56/909239556.db2.gz LBRUIJNBSMQRRU-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317458954 909239567 /nfs/dbraw/zinc/23/95/67/909239567.db2.gz LBRUIJNBSMQRRU-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317518079 909286936 /nfs/dbraw/zinc/28/69/36/909286936.db2.gz VDWXPMFUIXFXHD-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317518081 909287996 /nfs/dbraw/zinc/28/79/96/909287996.db2.gz VDWXPMFUIXFXHD-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001317532531 909300768 /nfs/dbraw/zinc/30/07/68/909300768.db2.gz LNCKBUHVMGASIX-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001317532531 909300787 /nfs/dbraw/zinc/30/07/87/909300787.db2.gz LNCKBUHVMGASIX-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001317532531 909300805 /nfs/dbraw/zinc/30/08/05/909300805.db2.gz LNCKBUHVMGASIX-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001317549449 909315569 /nfs/dbraw/zinc/31/55/69/909315569.db2.gz UWNAPVJSXIHKIP-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001317549449 909315582 /nfs/dbraw/zinc/31/55/82/909315582.db2.gz UWNAPVJSXIHKIP-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001317549449 909315595 /nfs/dbraw/zinc/31/55/95/909315595.db2.gz UWNAPVJSXIHKIP-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH+](CCNC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001317562292 909338023 /nfs/dbraw/zinc/33/80/23/909338023.db2.gz XWNZWEGVAXLLJK-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+](CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001317562292 909338043 /nfs/dbraw/zinc/33/80/43/909338043.db2.gz XWNZWEGVAXLLJK-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)C1CC1 ZINC001317562292 909338060 /nfs/dbraw/zinc/33/80/60/909338060.db2.gz XWNZWEGVAXLLJK-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)C1CC1 ZINC001317562292 909338077 /nfs/dbraw/zinc/33/80/77/909338077.db2.gz XWNZWEGVAXLLJK-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001317661091 909455601 /nfs/dbraw/zinc/45/56/01/909455601.db2.gz HZNCKEJIIXDDJR-UHFFFAOYSA-N 2 1 250.346 0.816 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317830848 909517596 /nfs/dbraw/zinc/51/75/96/909517596.db2.gz KYULLWFZVGUXHG-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317830848 909517606 /nfs/dbraw/zinc/51/76/06/909517606.db2.gz KYULLWFZVGUXHG-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317830848 909517616 /nfs/dbraw/zinc/51/76/16/909517616.db2.gz KYULLWFZVGUXHG-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH2+][C@H](CC)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001318570754 909818432 /nfs/dbraw/zinc/81/84/32/909818432.db2.gz QMQWKRHZCOTHQC-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001319167344 910015349 /nfs/dbraw/zinc/01/53/49/910015349.db2.gz KUBHFVUYJMNMFK-STQMWFEESA-N 2 1 253.390 0.999 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC#CCOC ZINC001321692678 911448352 /nfs/dbraw/zinc/44/83/52/911448352.db2.gz FGLQSZVODPCLMB-CYBMUJFWSA-N 2 1 269.389 0.072 20 30 CCEDMP C=CCC[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001321746329 911471713 /nfs/dbraw/zinc/47/17/13/911471713.db2.gz KTWFHLZQHMIXQW-LLVKDONJSA-N 2 1 250.346 0.862 20 30 CCEDMP COCC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001322569947 911861419 /nfs/dbraw/zinc/86/14/19/911861419.db2.gz NDHDQINMNGFXCL-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001328859737 915479105 /nfs/dbraw/zinc/47/91/05/915479105.db2.gz XNYAUANYABTFKY-BLYZHGLHSA-N 2 1 263.385 0.444 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401575820 916339093 /nfs/dbraw/zinc/33/90/93/916339093.db2.gz GJHGMBAHBNFEKB-NEPJUHHUSA-N 2 1 289.807 0.147 20 30 CCEDMP C#CC[N@H+](C)CCCNCc1cc(C(=O)OCC)n[nH]1 ZINC001331569903 917424455 /nfs/dbraw/zinc/42/44/55/917424455.db2.gz RRFBWZLMXHDIGV-UHFFFAOYSA-N 2 1 278.356 0.631 20 30 CCEDMP C#CCN(C)CCC[NH2+]Cc1cc(C(=O)OCC)n[nH]1 ZINC001331569903 917424462 /nfs/dbraw/zinc/42/44/62/917424462.db2.gz RRFBWZLMXHDIGV-UHFFFAOYSA-N 2 1 278.356 0.631 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001332631237 918335047 /nfs/dbraw/zinc/33/50/47/918335047.db2.gz GAKXYFLAUBZDJW-QLFBSQMISA-N 2 1 297.443 0.654 20 30 CCEDMP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001332631237 918335055 /nfs/dbraw/zinc/33/50/55/918335055.db2.gz GAKXYFLAUBZDJW-QLFBSQMISA-N 2 1 297.443 0.654 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001332631237 918335064 /nfs/dbraw/zinc/33/50/64/918335064.db2.gz GAKXYFLAUBZDJW-QLFBSQMISA-N 2 1 297.443 0.654 20 30 CCEDMP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1C[N@@H+](C)CCN1C ZINC001346229651 924121079 /nfs/dbraw/zinc/12/10/79/924121079.db2.gz VPJQHWIGFDVNNK-BFHYXJOUSA-N 2 1 295.431 0.148 20 30 CCEDMP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1C[N@@H+](C)CCN1C ZINC001346229653 924121493 /nfs/dbraw/zinc/12/14/93/924121493.db2.gz VPJQHWIGFDVNNK-MELADBBJSA-N 2 1 295.431 0.148 20 30 CCEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001353289086 925786259 /nfs/dbraw/zinc/78/62/59/925786259.db2.gz WAVDZRDDYOLNBE-CHWSQXEVSA-N 2 1 251.374 0.973 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CCC[N@H+](C)CC(C)C ZINC001353331787 925800741 /nfs/dbraw/zinc/80/07/41/925800741.db2.gz ZILGTADAEPBXCI-UHFFFAOYSA-N 2 1 253.390 0.693 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@@H]12 ZINC001353632591 925891690 /nfs/dbraw/zinc/89/16/90/925891690.db2.gz CZOBCVCFHFJPCV-RBSFLKMASA-N 2 1 292.427 0.581 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001353632591 925891698 /nfs/dbraw/zinc/89/16/98/925891698.db2.gz CZOBCVCFHFJPCV-RBSFLKMASA-N 2 1 292.427 0.581 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001353632591 925891704 /nfs/dbraw/zinc/89/17/04/925891704.db2.gz CZOBCVCFHFJPCV-RBSFLKMASA-N 2 1 292.427 0.581 20 30 CCEDMP N#Cc1ccc(OCC[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000600724395 362045783 /nfs/dbraw/zinc/04/57/83/362045783.db2.gz NVOCOHSRYGDFHU-HNNXBMFYSA-N 2 1 289.379 0.983 20 30 CCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000573438762 358966803 /nfs/dbraw/zinc/96/68/03/358966803.db2.gz LACFIUBXICGRKC-DKUMPPAJSA-N 2 1 280.416 0.408 20 30 CCEDMP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000573123633 358940664 /nfs/dbraw/zinc/94/06/64/358940664.db2.gz LQOCYUQYHYGERC-NWDGAFQWSA-N 2 1 252.362 0.466 20 30 CCEDMP N#Cc1ccc(CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000594876138 360406314 /nfs/dbraw/zinc/40/63/14/360406314.db2.gz FQRAAUZSHWFVNU-GJZGRUSLSA-N 2 1 284.363 0.345 20 30 CCEDMP N#Cc1ccc(CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000594876138 360406319 /nfs/dbraw/zinc/40/63/19/360406319.db2.gz FQRAAUZSHWFVNU-GJZGRUSLSA-N 2 1 284.363 0.345 20 30 CCEDMP C=CCC[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000305060407 389083907 /nfs/dbraw/zinc/08/39/07/389083907.db2.gz GIZYIGDRYURDNL-HNNXBMFYSA-N 2 1 295.427 0.554 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000342702338 389244892 /nfs/dbraw/zinc/24/48/92/389244892.db2.gz JNZDXDZYUCGLTA-GFCCVEGCSA-N 2 1 287.354 0.998 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c[nH]nc1C ZINC000262009360 389279559 /nfs/dbraw/zinc/27/95/59/389279559.db2.gz SQOILWBUKKWMJU-GFCCVEGCSA-N 2 1 264.377 0.607 20 30 CCEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NC[C@](C)(O)c1ccco1 ZINC000262495266 389287362 /nfs/dbraw/zinc/28/73/62/389287362.db2.gz ZZGRAAYCXHJXEK-DOMZBBRYSA-N 2 1 294.399 0.604 20 30 CCEDMP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)N1 ZINC000262624991 389290550 /nfs/dbraw/zinc/29/05/50/389290550.db2.gz DGALIJBJYOEYKK-SWLSCSKDSA-N 2 1 288.395 0.691 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000153556382 389303290 /nfs/dbraw/zinc/30/32/90/389303290.db2.gz ZYPUDXCXEVOMPR-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccccn1 ZINC000264098818 389306325 /nfs/dbraw/zinc/30/63/25/389306325.db2.gz MLKVJINWZWJFIE-UHFFFAOYSA-N 2 1 291.399 0.251 20 30 CCEDMP CCNC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264123802 389307708 /nfs/dbraw/zinc/30/77/08/389307708.db2.gz VSXQRMRNDUFULC-UHFFFAOYSA-N 2 1 290.415 0.518 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccn(C)c1 ZINC000267354776 389369926 /nfs/dbraw/zinc/36/99/26/389369926.db2.gz VMGRDCWBECMVMG-CYBMUJFWSA-N 2 1 263.389 0.914 20 30 CCEDMP CN(C)C(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000180454750 389670720 /nfs/dbraw/zinc/67/07/20/389670720.db2.gz AWPDBJFFDKYFPH-AWEZNQCLSA-N 2 1 276.384 0.630 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000491385852 390112699 /nfs/dbraw/zinc/11/26/99/390112699.db2.gz SNHFKGHYDHUNRG-KGLIPLIRSA-N 2 1 280.416 0.853 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000491682581 390116018 /nfs/dbraw/zinc/11/60/18/390116018.db2.gz SPPVXKXHNGYDBZ-INIZCTEOSA-N 2 1 292.427 0.679 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000491682581 390116019 /nfs/dbraw/zinc/11/60/19/390116019.db2.gz SPPVXKXHNGYDBZ-INIZCTEOSA-N 2 1 292.427 0.679 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000491682581 390116020 /nfs/dbraw/zinc/11/60/20/390116020.db2.gz SPPVXKXHNGYDBZ-INIZCTEOSA-N 2 1 292.427 0.679 20 30 CCEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000562442885 390489957 /nfs/dbraw/zinc/48/99/57/390489957.db2.gz AGXYZNYHPUDSSA-CYBMUJFWSA-N 2 1 289.383 0.972 20 30 CCEDMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000563955286 390494445 /nfs/dbraw/zinc/49/44/45/390494445.db2.gz WGCAJDHIWXJFCC-OLZOCXBDSA-N 2 1 266.389 0.854 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000652352779 412035376 /nfs/dbraw/zinc/03/53/76/412035376.db2.gz WGKMMKXMLCGWSD-YDHLFZDLSA-N 2 1 263.385 0.834 20 30 CCEDMP C=CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)COC ZINC000661241483 414583674 /nfs/dbraw/zinc/58/36/74/414583674.db2.gz ZAMPSOIBBODSBX-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP C=CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)COC ZINC000661241483 414583677 /nfs/dbraw/zinc/58/36/77/414583677.db2.gz ZAMPSOIBBODSBX-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP C[C@@H](O)[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661764201 414672197 /nfs/dbraw/zinc/67/21/97/414672197.db2.gz AXJVEUQISIJSLM-KLHDSHLOSA-N 2 1 280.412 0.680 20 30 CCEDMP C=CC[C@@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CCC[NH2+]1 ZINC000662906366 414885575 /nfs/dbraw/zinc/88/55/75/414885575.db2.gz IYAQAVZOVJKUHJ-HOCLYGCPSA-N 2 1 292.427 0.191 20 30 CCEDMP Cc1ccoc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000291915287 263126718 /nfs/dbraw/zinc/12/67/18/263126718.db2.gz MQFOCFKDGMKRPL-UHFFFAOYSA-N 2 1 280.372 0.715 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529333 263299141 /nfs/dbraw/zinc/29/91/41/263299141.db2.gz FUPOURKCMLDIND-ZDUSSCGKSA-N 2 1 251.374 0.858 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529333 263299143 /nfs/dbraw/zinc/29/91/43/263299143.db2.gz FUPOURKCMLDIND-ZDUSSCGKSA-N 2 1 251.374 0.858 20 30 CCEDMP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000341878884 263361941 /nfs/dbraw/zinc/36/19/41/263361941.db2.gz NUNXVSIERRVGLE-CYBMUJFWSA-N 2 1 256.390 0.871 20 30 CCEDMP C=CC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000178962454 329202862 /nfs/dbraw/zinc/20/28/62/329202862.db2.gz HSGJGHFYTLTQBD-CYBMUJFWSA-N 2 1 272.414 0.661 20 30 CCEDMP CN(C(=[NH2+])NC[C@@]1([NH+](C)C)CCSC1)C1CC1 ZINC000262159246 330000867 /nfs/dbraw/zinc/00/08/67/330000867.db2.gz AUTDIVDXIXKDTL-LBPRGKRZSA-N 2 1 256.419 0.833 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(C)CCOC1 ZINC000262544951 330020678 /nfs/dbraw/zinc/02/06/78/330020678.db2.gz UTRIGDVZMWJGNX-OCCSQVGLSA-N 2 1 268.405 0.802 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(C)CCCO1 ZINC000262790250 330031596 /nfs/dbraw/zinc/03/15/96/330031596.db2.gz NYEDZASSGMUXPK-GXTWGEPZSA-N 2 1 268.405 0.944 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000424128273 330259452 /nfs/dbraw/zinc/25/94/52/330259452.db2.gz FDPCVERBLYWAKL-LLVKDONJSA-N 2 1 270.402 0.173 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000424135340 330269692 /nfs/dbraw/zinc/26/96/92/330269692.db2.gz OZMPCIZTDTVFOY-CYBMUJFWSA-N 2 1 264.373 0.562 20 30 CCEDMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424138348 330276527 /nfs/dbraw/zinc/27/65/27/330276527.db2.gz UEZOVYOZJNEXOC-OLZOCXBDSA-N 2 1 266.389 0.998 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000424140405 330280575 /nfs/dbraw/zinc/28/05/75/330280575.db2.gz FWZSMOYYKFVFDM-CYBMUJFWSA-N 2 1 264.373 0.704 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000491485271 332220207 /nfs/dbraw/zinc/22/02/07/332220207.db2.gz NSHKYYUYBQELTP-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP C#C[C@H](CCC)NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000491485764 332220505 /nfs/dbraw/zinc/22/05/05/332220505.db2.gz QYMFBHMBBOPBOT-CYBMUJFWSA-N 2 1 266.389 0.625 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH2+]C1CC1 ZINC000491675109 332280851 /nfs/dbraw/zinc/28/08/51/332280851.db2.gz LNTFKBRCEJWYND-UHFFFAOYSA-N 2 1 266.389 0.383 20 30 CCEDMP C#CC[N@@H+](C)CCCNc1ncnc(-n2cccn2)c1N ZINC000491702315 332296360 /nfs/dbraw/zinc/29/63/60/332296360.db2.gz VSDXZIYNPLUONG-UHFFFAOYSA-N 2 1 285.355 0.612 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000491778960 332344115 /nfs/dbraw/zinc/34/41/15/332344115.db2.gz JPNIBBIZFIBCAC-QWHCGFSZSA-N 2 1 266.389 0.368 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000491809196 332361943 /nfs/dbraw/zinc/36/19/43/332361943.db2.gz XJYCBMUOCSDJKG-STQMWFEESA-N 2 1 266.389 0.239 20 30 CCEDMP CN(CCC#N)C[C@@H](O)CNCC1([NH+](C)C)CCCC1 ZINC000576028924 335143194 /nfs/dbraw/zinc/14/31/94/335143194.db2.gz DUXQCDDLGXILSK-AWEZNQCLSA-N 2 1 282.432 0.657 20 30 CCEDMP N#CCNC(=O)C[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000547683182 334109112 /nfs/dbraw/zinc/10/91/12/334109112.db2.gz DICVRBJFVLFDAC-LBPRGKRZSA-N 2 1 287.367 0.648 20 30 CCEDMP N#CCNC(=O)C[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000547683182 334109113 /nfs/dbraw/zinc/10/91/13/334109113.db2.gz DICVRBJFVLFDAC-LBPRGKRZSA-N 2 1 287.367 0.648 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COCCOC)CC1 ZINC000566615345 334657609 /nfs/dbraw/zinc/65/76/09/334657609.db2.gz JWLRNVZMAWLNLC-CQSZACIVSA-N 2 1 272.389 0.250 20 30 CCEDMP C#CCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000779603643 581194111 /nfs/dbraw/zinc/19/41/11/581194111.db2.gz ILUSSLLESWAGDC-UHFFFAOYSA-N 2 1 266.385 0.559 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000787304525 581466692 /nfs/dbraw/zinc/46/66/92/581466692.db2.gz OUWIUQFKGSDEHA-HUUCEWRRSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000787304525 581466693 /nfs/dbraw/zinc/46/66/93/581466693.db2.gz OUWIUQFKGSDEHA-HUUCEWRRSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000742238143 581775444 /nfs/dbraw/zinc/77/54/44/581775444.db2.gz VJUALMBXAYJOAK-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000733367498 581903237 /nfs/dbraw/zinc/90/32/37/581903237.db2.gz CORMRBJKJZMWKD-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000733367498 581903240 /nfs/dbraw/zinc/90/32/40/581903240.db2.gz CORMRBJKJZMWKD-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C[C@@H]1CC(=NNC(=S)NCCC[NH+](C)C)C[N@@H+]1C ZINC000761810598 581920766 /nfs/dbraw/zinc/92/07/66/581920766.db2.gz SIOYERLDZBIWAF-SNVBAGLBSA-N 2 1 271.434 0.482 20 30 CCEDMP C[C@@H]1CC(=NNC(=S)NCCC[NH+](C)C)C[N@H+]1C ZINC000761810598 581920767 /nfs/dbraw/zinc/92/07/67/581920767.db2.gz SIOYERLDZBIWAF-SNVBAGLBSA-N 2 1 271.434 0.482 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971561669 613092068 /nfs/dbraw/zinc/09/20/68/613092068.db2.gz ZWKSEWMOWYTKPU-HZSPNIEDSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971561669 613092070 /nfs/dbraw/zinc/09/20/70/613092070.db2.gz ZWKSEWMOWYTKPU-HZSPNIEDSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971561669 613092072 /nfs/dbraw/zinc/09/20/72/613092072.db2.gz ZWKSEWMOWYTKPU-HZSPNIEDSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000968850528 612963608 /nfs/dbraw/zinc/96/36/08/612963608.db2.gz BVIQVQJHGDGJKN-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCOCC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879127349 612982005 /nfs/dbraw/zinc/98/20/05/612982005.db2.gz WAXMQNKKZOICLD-UHFFFAOYSA-N 2 1 268.401 0.926 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000957385730 612991200 /nfs/dbraw/zinc/99/12/00/612991200.db2.gz PESPXCXIPUQMFP-ZDUSSCGKSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000957385730 612991201 /nfs/dbraw/zinc/99/12/01/612991201.db2.gz PESPXCXIPUQMFP-ZDUSSCGKSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000950508751 613010249 /nfs/dbraw/zinc/01/02/49/613010249.db2.gz AGUCEZCKPXXXBV-KGLIPLIRSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000950508751 613010250 /nfs/dbraw/zinc/01/02/50/613010250.db2.gz AGUCEZCKPXXXBV-KGLIPLIRSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC000962138743 613042731 /nfs/dbraw/zinc/04/27/31/613042731.db2.gz FSQKTDDHVXVRRI-QLPKVWCKSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962296904 613042903 /nfs/dbraw/zinc/04/29/03/613042903.db2.gz JQJWCZBMKNDPCB-WDNDVIMCSA-N 2 1 273.380 0.152 20 30 CCEDMP C#CC[C@H](CCOC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000863589333 613052617 /nfs/dbraw/zinc/05/26/17/613052617.db2.gz MUILQKAVRKGOHC-OCCSQVGLSA-N 2 1 254.374 0.460 20 30 CCEDMP C#CC[C@H](CCOC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000863589333 613052618 /nfs/dbraw/zinc/05/26/18/613052618.db2.gz MUILQKAVRKGOHC-OCCSQVGLSA-N 2 1 254.374 0.460 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891920857 613073547 /nfs/dbraw/zinc/07/35/47/613073547.db2.gz FVVURKPYFNDIAU-UHFFFAOYSA-N 2 1 278.400 0.607 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891921780 613073740 /nfs/dbraw/zinc/07/37/40/613073740.db2.gz VURUYPZVXWLILU-KBPBESRZSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000895057949 613074345 /nfs/dbraw/zinc/07/43/45/613074345.db2.gz XQZKAGMQRXSHEL-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000895057949 613074347 /nfs/dbraw/zinc/07/43/47/613074347.db2.gz XQZKAGMQRXSHEL-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000895057949 613074348 /nfs/dbraw/zinc/07/43/48/613074348.db2.gz XQZKAGMQRXSHEL-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841911132 613075356 /nfs/dbraw/zinc/07/53/56/613075356.db2.gz YSMBCNXTSOBLNU-ZDUSSCGKSA-N 2 1 266.389 0.383 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000894863323 613078307 /nfs/dbraw/zinc/07/83/07/613078307.db2.gz YBZWYTNVCHUSDY-UHFFFAOYSA-N 2 1 299.374 0.827 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000894863323 613078309 /nfs/dbraw/zinc/07/83/09/613078309.db2.gz YBZWYTNVCHUSDY-UHFFFAOYSA-N 2 1 299.374 0.827 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](COC)[C@H]1CCCOC1 ZINC000883223958 613079438 /nfs/dbraw/zinc/07/94/38/613079438.db2.gz BBIZJISRCWIADN-LSDHHAIUSA-N 2 1 268.401 0.973 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](COC)[C@H]1CCCOC1 ZINC000883223958 613079440 /nfs/dbraw/zinc/07/94/40/613079440.db2.gz BBIZJISRCWIADN-LSDHHAIUSA-N 2 1 268.401 0.973 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000972177149 613083868 /nfs/dbraw/zinc/08/38/68/613083868.db2.gz OHYPLAMWUVKOMB-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000972177149 613083870 /nfs/dbraw/zinc/08/38/70/613083870.db2.gz OHYPLAMWUVKOMB-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000972177149 613083872 /nfs/dbraw/zinc/08/38/72/613083872.db2.gz OHYPLAMWUVKOMB-SOUVJXGZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC000928656696 613132788 /nfs/dbraw/zinc/13/27/88/613132788.db2.gz BTAVTBNFPDYBLJ-UHFFFAOYSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981959315 613155899 /nfs/dbraw/zinc/15/58/99/613155899.db2.gz LOOKHVVHEZIEPM-KBPBESRZSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000981959315 613155901 /nfs/dbraw/zinc/15/59/01/613155901.db2.gz LOOKHVVHEZIEPM-KBPBESRZSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981959315 613155904 /nfs/dbraw/zinc/15/59/04/613155904.db2.gz LOOKHVVHEZIEPM-KBPBESRZSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981959315 613155906 /nfs/dbraw/zinc/15/59/06/613155906.db2.gz LOOKHVVHEZIEPM-KBPBESRZSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000923561066 613190143 /nfs/dbraw/zinc/19/01/43/613190143.db2.gz QOMARXXXZWZGLX-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000923561066 613190144 /nfs/dbraw/zinc/19/01/44/613190144.db2.gz QOMARXXXZWZGLX-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000923561066 613190146 /nfs/dbraw/zinc/19/01/46/613190146.db2.gz QOMARXXXZWZGLX-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000923561066 613190148 /nfs/dbraw/zinc/19/01/48/613190148.db2.gz QOMARXXXZWZGLX-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC)C[C@H]21 ZINC000960346895 613202418 /nfs/dbraw/zinc/20/24/18/613202418.db2.gz MPRFCMHCKSFSBJ-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC)C[C@H]21 ZINC000960346895 613202420 /nfs/dbraw/zinc/20/24/20/613202420.db2.gz MPRFCMHCKSFSBJ-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC)C[C@H]21 ZINC000960346895 613202422 /nfs/dbraw/zinc/20/24/22/613202422.db2.gz MPRFCMHCKSFSBJ-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC)C[C@H]21 ZINC000960346895 613202424 /nfs/dbraw/zinc/20/24/24/613202424.db2.gz MPRFCMHCKSFSBJ-LJISPDSOSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC=C)C[C@H]21 ZINC000960337541 613202740 /nfs/dbraw/zinc/20/27/40/613202740.db2.gz PGHVKLNWXGMNGP-LJISPDSOSA-N 2 1 273.380 0.316 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC=C)C[C@H]21 ZINC000960337541 613202741 /nfs/dbraw/zinc/20/27/41/613202741.db2.gz PGHVKLNWXGMNGP-LJISPDSOSA-N 2 1 273.380 0.316 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC=C)C[C@H]21 ZINC000960337541 613202742 /nfs/dbraw/zinc/20/27/42/613202742.db2.gz PGHVKLNWXGMNGP-LJISPDSOSA-N 2 1 273.380 0.316 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC=C)C[C@H]21 ZINC000960337541 613202744 /nfs/dbraw/zinc/20/27/44/613202744.db2.gz PGHVKLNWXGMNGP-LJISPDSOSA-N 2 1 273.380 0.316 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000948052192 613228114 /nfs/dbraw/zinc/22/81/14/613228114.db2.gz BWRDEXHEMRVFID-GXTWGEPZSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000948052192 613228115 /nfs/dbraw/zinc/22/81/15/613228115.db2.gz BWRDEXHEMRVFID-GXTWGEPZSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC000947550718 613229172 /nfs/dbraw/zinc/22/91/72/613229172.db2.gz ANPGVMSWWKOFQA-GXTWGEPZSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC000947550718 613229174 /nfs/dbraw/zinc/22/91/74/613229174.db2.gz ANPGVMSWWKOFQA-GXTWGEPZSA-N 2 1 274.368 0.794 20 30 CCEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970904634 613299463 /nfs/dbraw/zinc/29/94/63/613299463.db2.gz REUNLIFXKYUMJW-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970904634 613299464 /nfs/dbraw/zinc/29/94/64/613299464.db2.gz REUNLIFXKYUMJW-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978182404 613309489 /nfs/dbraw/zinc/30/94/89/613309489.db2.gz SDLWNCSWMXSKAE-RFBLXINOSA-N 2 1 289.423 0.644 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978182404 613309491 /nfs/dbraw/zinc/30/94/91/613309491.db2.gz SDLWNCSWMXSKAE-RFBLXINOSA-N 2 1 289.423 0.644 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978182404 613309493 /nfs/dbraw/zinc/30/94/93/613309493.db2.gz SDLWNCSWMXSKAE-RFBLXINOSA-N 2 1 289.423 0.644 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000961774336 613317051 /nfs/dbraw/zinc/31/70/51/613317051.db2.gz WRURKDFYKDYXRM-ARLBYUKCSA-N 2 1 298.390 0.434 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000961774336 613317053 /nfs/dbraw/zinc/31/70/53/613317053.db2.gz WRURKDFYKDYXRM-ARLBYUKCSA-N 2 1 298.390 0.434 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000879286152 613324461 /nfs/dbraw/zinc/32/44/61/613324461.db2.gz LOYBFKIMKRWECZ-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCNC(=O)CC[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000818968922 613326653 /nfs/dbraw/zinc/32/66/53/613326653.db2.gz GNRZQNBAWUNJHH-UHFFFAOYSA-N 2 1 297.362 0.805 20 30 CCEDMP C=C(C)CNC(=[NH2+])NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000849000298 613346446 /nfs/dbraw/zinc/34/64/46/613346446.db2.gz QOPJKOLCSOSFQE-LBPRGKRZSA-N 2 1 281.404 0.264 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000908336836 613363628 /nfs/dbraw/zinc/36/36/28/613363628.db2.gz XVYRMTAONIKPSZ-UHFFFAOYSA-N 2 1 281.400 0.285 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000908534764 613363873 /nfs/dbraw/zinc/36/38/73/613363873.db2.gz UCRFHDHEKYJVIO-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000876746858 613389922 /nfs/dbraw/zinc/38/99/22/613389922.db2.gz QGAGIGKVURIIAU-JTQLQIEISA-N 2 1 256.737 0.778 20 30 CCEDMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000957649611 613506258 /nfs/dbraw/zinc/50/62/58/613506258.db2.gz POWUCAPZMZBLKH-CYBMUJFWSA-N 2 1 251.374 0.658 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000981333399 613552331 /nfs/dbraw/zinc/55/23/31/613552331.db2.gz PZVZJZDHOCMAIQ-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000981333399 613552333 /nfs/dbraw/zinc/55/23/33/613552333.db2.gz PZVZJZDHOCMAIQ-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977950395 613560668 /nfs/dbraw/zinc/56/06/68/613560668.db2.gz DKMBILDDNQALEP-APIJFGDWSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977950395 613560670 /nfs/dbraw/zinc/56/06/70/613560670.db2.gz DKMBILDDNQALEP-APIJFGDWSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977950395 613560671 /nfs/dbraw/zinc/56/06/71/613560671.db2.gz DKMBILDDNQALEP-APIJFGDWSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977950395 613560673 /nfs/dbraw/zinc/56/06/73/613560673.db2.gz DKMBILDDNQALEP-APIJFGDWSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923429596 613586677 /nfs/dbraw/zinc/58/66/77/613586677.db2.gz YTZMZQSFAGBICE-JLNYLFASSA-N 2 1 282.384 0.526 20 30 CCEDMP C=CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000904312349 613651308 /nfs/dbraw/zinc/65/13/08/613651308.db2.gz HZJIZKHWKXUUSG-TUAOUCFPSA-N 2 1 258.387 0.399 20 30 CCEDMP C=CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000904312349 613651310 /nfs/dbraw/zinc/65/13/10/613651310.db2.gz HZJIZKHWKXUUSG-TUAOUCFPSA-N 2 1 258.387 0.399 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703581 613849531 /nfs/dbraw/zinc/84/95/31/613849531.db2.gz KAPNTHXOZDQMIN-OAHLLOKOSA-N 2 1 296.415 0.695 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703581 613849532 /nfs/dbraw/zinc/84/95/32/613849532.db2.gz KAPNTHXOZDQMIN-OAHLLOKOSA-N 2 1 296.415 0.695 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923486125 613851813 /nfs/dbraw/zinc/85/18/13/613851813.db2.gz NLOMPSABIANNFB-QWRGUYRKSA-N 2 1 268.361 0.057 20 30 CCEDMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)c1ccccc1 ZINC000834493601 614904222 /nfs/dbraw/zinc/90/42/22/614904222.db2.gz FTFHBGIYHAJBKC-ILXRZTDVSA-N 2 1 286.379 0.907 20 30 CCEDMP CN(C)CC[N@H+](C)CCC[NH+]=C(N(C)C)N(C)C ZINC000849028370 615893041 /nfs/dbraw/zinc/89/30/41/615893041.db2.gz TWGBDZOTXVZTQX-UHFFFAOYSA-N 2 1 257.426 0.349 20 30 CCEDMP CN(C)CC[N@@H+](C)CCC[NH+]=C(N(C)C)N(C)C ZINC000849028370 615893042 /nfs/dbraw/zinc/89/30/42/615893042.db2.gz TWGBDZOTXVZTQX-UHFFFAOYSA-N 2 1 257.426 0.349 20 30 CCEDMP C[N@H+](CCc1cccc(C#N)c1)CCN1CC[NH2+]CC1 ZINC000866697979 616124897 /nfs/dbraw/zinc/12/48/97/616124897.db2.gz JSLABBYLFAORHS-UHFFFAOYSA-N 2 1 272.396 0.938 20 30 CCEDMP C[N@@H+]1CCCC(=NNCCC[NH+]2CCOCC2)CC1 ZINC000799489582 616177686 /nfs/dbraw/zinc/17/76/86/616177686.db2.gz WRCBQWKQCQPGIF-UHFFFAOYSA-N 2 1 268.405 0.770 20 30 CCEDMP C[N@H+]1CCCC(=NNCCC[NH+]2CCOCC2)CC1 ZINC000799489582 616177687 /nfs/dbraw/zinc/17/76/87/616177687.db2.gz WRCBQWKQCQPGIF-UHFFFAOYSA-N 2 1 268.405 0.770 20 30 CCEDMP [NH2+]=C(NCCCOC(F)F)NCCC[NH+]1CCOCC1 ZINC000193284355 625526343 /nfs/dbraw/zinc/52/63/43/625526343.db2.gz PLASEOXMGDIBNQ-UHFFFAOYSA-N 2 1 294.346 0.242 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001023275667 622976103 /nfs/dbraw/zinc/97/61/03/622976103.db2.gz QNGUJRZHEJRSEJ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001023290697 622983621 /nfs/dbraw/zinc/98/36/21/622983621.db2.gz AGFROWWCGIUNLE-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023290697 622983641 /nfs/dbraw/zinc/98/36/41/622983641.db2.gz AGFROWWCGIUNLE-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023290697 622983661 /nfs/dbraw/zinc/98/36/61/622983661.db2.gz AGFROWWCGIUNLE-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023290697 622983674 /nfs/dbraw/zinc/98/36/74/622983674.db2.gz AGFROWWCGIUNLE-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023290697 622983691 /nfs/dbraw/zinc/98/36/91/622983691.db2.gz AGFROWWCGIUNLE-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCF)C1 ZINC001023423998 623026254 /nfs/dbraw/zinc/02/62/54/623026254.db2.gz LIVBGYLDBLDJRL-CABCVRRESA-N 2 1 295.402 0.882 20 30 CCEDMP C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001024365534 623301524 /nfs/dbraw/zinc/30/15/24/623301524.db2.gz CEDZGAUZRUAFBO-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001024808182 623449005 /nfs/dbraw/zinc/44/90/05/623449005.db2.gz DOKWLYAARLGVPT-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001024808182 623449027 /nfs/dbraw/zinc/44/90/27/623449027.db2.gz DOKWLYAARLGVPT-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001024808182 623449039 /nfs/dbraw/zinc/44/90/39/623449039.db2.gz DOKWLYAARLGVPT-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024808182 623449055 /nfs/dbraw/zinc/44/90/55/623449055.db2.gz DOKWLYAARLGVPT-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024808182 623449066 /nfs/dbraw/zinc/44/90/66/623449066.db2.gz DOKWLYAARLGVPT-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001006920306 623493428 /nfs/dbraw/zinc/49/34/28/623493428.db2.gz YCLYJOLLZGHXIY-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001006920306 623493432 /nfs/dbraw/zinc/49/34/32/623493432.db2.gz YCLYJOLLZGHXIY-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001006920306 623493434 /nfs/dbraw/zinc/49/34/34/623493434.db2.gz YCLYJOLLZGHXIY-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP CC(C)(C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000170910967 623813326 /nfs/dbraw/zinc/81/33/26/623813326.db2.gz BNYMOWVPSCXPQS-UHFFFAOYSA-N 2 1 256.394 0.659 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025818578 623889087 /nfs/dbraw/zinc/88/90/87/623889087.db2.gz QHRSOOKWMBCTBO-LJIZCISZSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818578 623889088 /nfs/dbraw/zinc/88/90/88/623889088.db2.gz QHRSOOKWMBCTBO-LJIZCISZSA-N 2 1 287.407 0.683 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001020507170 624499171 /nfs/dbraw/zinc/49/91/71/624499171.db2.gz LXLVRZSAOOGXNJ-RBSFLKMASA-N 2 1 295.427 0.909 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001020507170 624499172 /nfs/dbraw/zinc/49/91/72/624499172.db2.gz LXLVRZSAOOGXNJ-RBSFLKMASA-N 2 1 295.427 0.909 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC=C)C1 ZINC001022220583 624894315 /nfs/dbraw/zinc/89/43/15/624894315.db2.gz KNXLUMPWUDTWTC-MJBXVCDLSA-N 2 1 261.369 0.507 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC=C)C1 ZINC001022220583 624894317 /nfs/dbraw/zinc/89/43/17/624894317.db2.gz KNXLUMPWUDTWTC-MJBXVCDLSA-N 2 1 261.369 0.507 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCF)C1 ZINC001027446593 625887635 /nfs/dbraw/zinc/88/76/35/625887635.db2.gz OTKQVEKSLXGOFI-GJZGRUSLSA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001027493454 625915101 /nfs/dbraw/zinc/91/51/01/625915101.db2.gz GRQKTIXKHNGNJO-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001027493454 625915103 /nfs/dbraw/zinc/91/51/03/625915103.db2.gz GRQKTIXKHNGNJO-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C[NH+]=C(NCC(F)F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261820482 631631988 /nfs/dbraw/zinc/63/19/88/631631988.db2.gz UHTDTBKFUKMDET-NSHDSACASA-N 2 1 290.358 0.481 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009211239 650140053 /nfs/dbraw/zinc/14/00/53/650140053.db2.gz BBBOCMIOIZNMPZ-CQSZACIVSA-N 2 1 275.396 0.686 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009211239 650140057 /nfs/dbraw/zinc/14/00/57/650140057.db2.gz BBBOCMIOIZNMPZ-CQSZACIVSA-N 2 1 275.396 0.686 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009510975 650145776 /nfs/dbraw/zinc/14/57/76/650145776.db2.gz UWYZICFOUZDZMA-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009510975 650145778 /nfs/dbraw/zinc/14/57/78/650145778.db2.gz UWYZICFOUZDZMA-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009510975 650145781 /nfs/dbraw/zinc/14/57/81/650145781.db2.gz UWYZICFOUZDZMA-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009510975 650145783 /nfs/dbraw/zinc/14/57/83/650145783.db2.gz UWYZICFOUZDZMA-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015291474 637542765 /nfs/dbraw/zinc/54/27/65/637542765.db2.gz UXQZNTUGUDCXSR-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015291474 637542767 /nfs/dbraw/zinc/54/27/67/637542767.db2.gz UXQZNTUGUDCXSR-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015598579 637726925 /nfs/dbraw/zinc/72/69/25/637726925.db2.gz ASGWFFZEMCWMCK-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015598579 637726930 /nfs/dbraw/zinc/72/69/30/637726930.db2.gz ASGWFFZEMCWMCK-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015598579 637726932 /nfs/dbraw/zinc/72/69/32/637726932.db2.gz ASGWFFZEMCWMCK-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015598579 637726939 /nfs/dbraw/zinc/72/69/39/637726939.db2.gz ASGWFFZEMCWMCK-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1 ZINC000995925392 638804811 /nfs/dbraw/zinc/80/48/11/638804811.db2.gz RSINSEHLQPTUPY-UONOGXRCSA-N 2 1 295.402 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1 ZINC000995925392 638804812 /nfs/dbraw/zinc/80/48/12/638804812.db2.gz RSINSEHLQPTUPY-UONOGXRCSA-N 2 1 295.402 0.880 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC000996041763 638808263 /nfs/dbraw/zinc/80/82/63/638808263.db2.gz HJQWCLPUCHHCML-CYBMUJFWSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996301450 638814861 /nfs/dbraw/zinc/81/48/61/638814861.db2.gz SYCPLYHPMHGFAO-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000996994356 638847645 /nfs/dbraw/zinc/84/76/45/638847645.db2.gz HMHBTQJHIJPMNO-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002128466 639369348 /nfs/dbraw/zinc/36/93/48/639369348.db2.gz XWFJPEPMEWQLTC-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015705851 650612940 /nfs/dbraw/zinc/61/29/40/650612940.db2.gz QITLSLHESKJMPT-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015705851 650612942 /nfs/dbraw/zinc/61/29/42/650612942.db2.gz QITLSLHESKJMPT-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001015705851 650612944 /nfs/dbraw/zinc/61/29/44/650612944.db2.gz QITLSLHESKJMPT-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015705851 650612946 /nfs/dbraw/zinc/61/29/46/650612946.db2.gz QITLSLHESKJMPT-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001016302259 650713475 /nfs/dbraw/zinc/71/34/75/650713475.db2.gz KIKDWKIUTCWADD-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001016302259 650713478 /nfs/dbraw/zinc/71/34/78/650713478.db2.gz KIKDWKIUTCWADD-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016302259 650713483 /nfs/dbraw/zinc/71/34/83/650713483.db2.gz KIKDWKIUTCWADD-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016302259 650713486 /nfs/dbraw/zinc/71/34/86/650713486.db2.gz KIKDWKIUTCWADD-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019168458 650943688 /nfs/dbraw/zinc/94/36/88/650943688.db2.gz DJQLVQUGJHUGDU-IOSBVQAASA-N 2 1 291.395 0.226 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000863550859 645106499 /nfs/dbraw/zinc/10/64/99/645106499.db2.gz DHQGSHHQRAZDOZ-IHRRRGAJSA-N 2 1 279.384 0.494 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000863550859 645106504 /nfs/dbraw/zinc/10/65/04/645106504.db2.gz DHQGSHHQRAZDOZ-IHRRRGAJSA-N 2 1 279.384 0.494 20 30 CCEDMP C#CCNC(=O)[C@@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785602 646184847 /nfs/dbraw/zinc/18/48/47/646184847.db2.gz JJRHTOXSDLDLPF-ODWCKFRGSA-N 2 1 292.383 0.496 20 30 CCEDMP C#CCNC(=O)[C@@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785602 646184856 /nfs/dbraw/zinc/18/48/56/646184856.db2.gz JJRHTOXSDLDLPF-ODWCKFRGSA-N 2 1 292.383 0.496 20 30 CCEDMP C#CCNC(=O)[C@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785603 646185231 /nfs/dbraw/zinc/18/52/31/646185231.db2.gz JJRHTOXSDLDLPF-WODVXLOZSA-N 2 1 292.383 0.496 20 30 CCEDMP C#CCNC(=O)[C@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785603 646185234 /nfs/dbraw/zinc/18/52/34/646185234.db2.gz JJRHTOXSDLDLPF-WODVXLOZSA-N 2 1 292.383 0.496 20 30 CCEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876801824 646668974 /nfs/dbraw/zinc/66/89/74/646668974.db2.gz JILDNGCRHXSZEZ-XHSDSOJGSA-N 2 1 298.390 0.736 20 30 CCEDMP C#C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000934515318 649177709 /nfs/dbraw/zinc/17/77/09/649177709.db2.gz SHLKFTSQYVDYME-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000934515318 649177712 /nfs/dbraw/zinc/17/77/12/649177712.db2.gz SHLKFTSQYVDYME-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C[C@H]1CCCN(C(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303721245 649824367 /nfs/dbraw/zinc/82/43/67/649824367.db2.gz XKEJBITVSJXZGK-ZDUSSCGKSA-N 2 1 268.405 0.755 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCC(=O)OC ZINC000303886426 649826266 /nfs/dbraw/zinc/82/62/66/649826266.db2.gz NTAPRXHJIIESAV-LBPRGKRZSA-N 2 1 284.404 0.718 20 30 CCEDMP CCN(CC)C(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000303982541 649827759 /nfs/dbraw/zinc/82/77/59/649827759.db2.gz QHAUFORZVSCUES-UHFFFAOYSA-N 2 1 269.437 0.671 20 30 CCEDMP CCN(CC)C(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000303982541 649827763 /nfs/dbraw/zinc/82/77/63/649827763.db2.gz QHAUFORZVSCUES-UHFFFAOYSA-N 2 1 269.437 0.671 20 30 CCEDMP CCN(CC)C(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000303982541 649827764 /nfs/dbraw/zinc/82/77/64/649827764.db2.gz QHAUFORZVSCUES-UHFFFAOYSA-N 2 1 269.437 0.671 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001266323176 790504859 /nfs/dbraw/zinc/50/48/59/790504859.db2.gz WGDYODQAOFLVFT-KBPBESRZSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533791 790885626 /nfs/dbraw/zinc/88/56/26/790885626.db2.gz QPYBNPJAXVAMSU-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C=CC[N@@H+](C)CCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC001277535241 805815303 /nfs/dbraw/zinc/81/53/03/805815303.db2.gz BETAXJKZUXBFOC-UHFFFAOYSA-N 2 1 281.400 0.333 20 30 CCEDMP C#CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266815163 791258663 /nfs/dbraw/zinc/25/86/63/791258663.db2.gz KADPJMCANCJHNI-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001267069514 791496990 /nfs/dbraw/zinc/49/69/90/791496990.db2.gz YGVVRDNJUKQSDS-AWEZNQCLSA-N 2 1 274.368 0.653 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001267157014 791602159 /nfs/dbraw/zinc/60/21/59/791602159.db2.gz FPRGQZHEHXZTPJ-LBPRGKRZSA-N 2 1 262.357 0.699 20 30 CCEDMP CC[N@H+](CC#CCOC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001267242813 793233978 /nfs/dbraw/zinc/23/39/78/793233978.db2.gz ZNMXIIGCLFKMNN-UHFFFAOYSA-N 2 1 295.427 0.559 20 30 CCEDMP CC[N@H+](CC#CCOC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267256056 793253717 /nfs/dbraw/zinc/25/37/17/793253717.db2.gz WYPDCVACNQIQQD-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP CC[NH+](CC#CCOC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267256056 793253726 /nfs/dbraw/zinc/25/37/26/793253726.db2.gz WYPDCVACNQIQQD-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP CC[NH+](CC#CCOC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267256056 793253733 /nfs/dbraw/zinc/25/37/33/793253733.db2.gz WYPDCVACNQIQQD-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP N#Cc1cc(F)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(F)c1 ZINC001234994857 806339419 /nfs/dbraw/zinc/33/94/19/806339419.db2.gz ZXEPVDMLVBLPAW-OAHLLOKOSA-N 2 1 292.333 0.974 20 30 CCEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001151049234 800389770 /nfs/dbraw/zinc/38/97/70/800389770.db2.gz KRAPXTVBCYHNTM-INIZCTEOSA-N 2 1 285.391 0.696 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001153320348 800621068 /nfs/dbraw/zinc/62/10/68/800621068.db2.gz NGSXQNWORQARNY-UHFFFAOYSA-N 2 1 273.380 0.848 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001153320348 800621071 /nfs/dbraw/zinc/62/10/71/800621071.db2.gz NGSXQNWORQARNY-UHFFFAOYSA-N 2 1 273.380 0.848 20 30 CCEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156374983 801158546 /nfs/dbraw/zinc/15/85/46/801158546.db2.gz ZXEXMKSQABKGIU-CQSZACIVSA-N 2 1 285.432 0.967 20 30 CCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156891162 801257029 /nfs/dbraw/zinc/25/70/29/801257029.db2.gz XCXVZGOAUGFSHC-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156891162 801257032 /nfs/dbraw/zinc/25/70/32/801257032.db2.gz XCXVZGOAUGFSHC-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156891162 801257035 /nfs/dbraw/zinc/25/70/35/801257035.db2.gz XCXVZGOAUGFSHC-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380376 801628786 /nfs/dbraw/zinc/62/87/86/801628786.db2.gz RKLAWZCIPRBXMP-CHWSQXEVSA-N 2 1 251.374 0.446 20 30 CCEDMP N#Cc1c(N[C@H](N)CCC[NH3+])ncc2c1CCC[NH2+]C2 ZINC001159780017 801868440 /nfs/dbraw/zinc/86/84/40/801868440.db2.gz NQPKVTSLPWBPQC-ZDUSSCGKSA-N 2 1 274.372 0.425 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001159917586 801888978 /nfs/dbraw/zinc/88/89/78/801888978.db2.gz ZZYSVFCFLLXQJV-ZDUSSCGKSA-N 2 1 274.368 0.880 20 30 CCEDMP N#C[C@H]1CCCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001160640759 801985587 /nfs/dbraw/zinc/98/55/87/801985587.db2.gz ONPGEUFUKDZQBN-LLVKDONJSA-N 2 1 250.346 0.090 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001276413594 803035458 /nfs/dbraw/zinc/03/54/58/803035458.db2.gz GJSYXQVLWKCOPS-ZDUSSCGKSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506435 803608790 /nfs/dbraw/zinc/60/87/90/803608790.db2.gz KIULCBAAIRWSQZ-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506435 803608793 /nfs/dbraw/zinc/60/87/93/803608793.db2.gz KIULCBAAIRWSQZ-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP Cn1ncc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1C#N ZINC001210263133 803644353 /nfs/dbraw/zinc/64/43/53/803644353.db2.gz SXHAFOWPMXWZGS-UHFFFAOYSA-N 2 1 283.339 0.840 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210483015 803651535 /nfs/dbraw/zinc/65/15/35/803651535.db2.gz UIHHIFQOJRJMBX-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674062 803656668 /nfs/dbraw/zinc/65/66/68/803656668.db2.gz MNKIKPDPNQAFFJ-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674059 803657326 /nfs/dbraw/zinc/65/73/26/803657326.db2.gz MNKIKPDPNQAFFJ-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211369691 803678828 /nfs/dbraw/zinc/67/88/28/803678828.db2.gz NQHPXNQBXFEJFC-ZIAGYGMSSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211369691 803678830 /nfs/dbraw/zinc/67/88/30/803678830.db2.gz NQHPXNQBXFEJFC-ZIAGYGMSSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211369691 803678831 /nfs/dbraw/zinc/67/88/31/803678831.db2.gz NQHPXNQBXFEJFC-ZIAGYGMSSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCF)C1 ZINC001214880445 803762968 /nfs/dbraw/zinc/76/29/68/803762968.db2.gz JPQDYLMGWSKRPP-KFWWJZLASA-N 2 1 295.402 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCF)C1 ZINC001214880445 803762975 /nfs/dbraw/zinc/76/29/75/803762975.db2.gz JPQDYLMGWSKRPP-KFWWJZLASA-N 2 1 295.402 0.880 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819988 804133165 /nfs/dbraw/zinc/13/31/65/804133165.db2.gz ULQQOESDXCSEEM-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219001190 804180004 /nfs/dbraw/zinc/18/00/04/804180004.db2.gz RAQFVFTVYCWONM-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219001190 804180007 /nfs/dbraw/zinc/18/00/07/804180007.db2.gz RAQFVFTVYCWONM-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083455547 815013756 /nfs/dbraw/zinc/01/37/56/815013756.db2.gz IDWUCSSOZSERTG-KFWWJZLASA-N 2 1 295.427 0.597 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455547 815013759 /nfs/dbraw/zinc/01/37/59/815013759.db2.gz IDWUCSSOZSERTG-KFWWJZLASA-N 2 1 295.427 0.597 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455547 815013764 /nfs/dbraw/zinc/01/37/64/815013764.db2.gz IDWUCSSOZSERTG-KFWWJZLASA-N 2 1 295.427 0.597 20 30 CCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220275001 804558840 /nfs/dbraw/zinc/55/88/40/804558840.db2.gz LCEGSAVDUXSYQE-MJBXVCDLSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220342562 804578779 /nfs/dbraw/zinc/57/87/79/804578779.db2.gz GNRPHIUMNVUJLZ-MCIONIFRSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220342562 804578782 /nfs/dbraw/zinc/57/87/82/804578782.db2.gz GNRPHIUMNVUJLZ-MCIONIFRSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220688919 804650694 /nfs/dbraw/zinc/65/06/94/804650694.db2.gz WACVVEVJGBMHPJ-ZNMIVQPWSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688919 804650696 /nfs/dbraw/zinc/65/06/96/804650696.db2.gz WACVVEVJGBMHPJ-ZNMIVQPWSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688919 804650699 /nfs/dbraw/zinc/65/06/99/804650699.db2.gz WACVVEVJGBMHPJ-ZNMIVQPWSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220868693 804685251 /nfs/dbraw/zinc/68/52/51/804685251.db2.gz PBBCWWWQLADKRT-XQQFMLRXSA-N 2 1 269.364 0.701 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001220868760 804685812 /nfs/dbraw/zinc/68/58/12/804685812.db2.gz SFGVHAIAIMKOFF-JSGCOSHPSA-N 2 1 291.399 0.057 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081438 804728640 /nfs/dbraw/zinc/72/86/40/804728640.db2.gz LVQHMIXUFYQQIN-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081438 804728645 /nfs/dbraw/zinc/72/86/45/804728645.db2.gz LVQHMIXUFYQQIN-CABCVRRESA-N 2 1 293.411 0.047 20 30 CCEDMP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001276821947 804797049 /nfs/dbraw/zinc/79/70/49/804797049.db2.gz VSMFNDPTMAMDEX-UONOGXRCSA-N 2 1 283.416 0.718 20 30 CCEDMP C=CCOCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001272171819 815036353 /nfs/dbraw/zinc/03/63/53/815036353.db2.gz FXALSLGAFBESTQ-AWEZNQCLSA-N 2 1 283.416 0.531 20 30 CCEDMP C=CCOCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001272171819 815036357 /nfs/dbraw/zinc/03/63/57/815036357.db2.gz FXALSLGAFBESTQ-AWEZNQCLSA-N 2 1 283.416 0.531 20 30 CCEDMP C=CCOCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001272171819 815036362 /nfs/dbraw/zinc/03/63/62/815036362.db2.gz FXALSLGAFBESTQ-AWEZNQCLSA-N 2 1 283.416 0.531 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001276867936 804958387 /nfs/dbraw/zinc/95/83/87/804958387.db2.gz WMLHYRIJPUEVFB-AWEZNQCLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001276867936 804958392 /nfs/dbraw/zinc/95/83/92/804958392.db2.gz WMLHYRIJPUEVFB-AWEZNQCLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246027641 807125815 /nfs/dbraw/zinc/12/58/15/807125815.db2.gz ILPZRUJRWBIVKU-UONOGXRCSA-N 2 1 254.374 0.768 20 30 CCEDMP C=CCOC[C@@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246027641 807125819 /nfs/dbraw/zinc/12/58/19/807125819.db2.gz ILPZRUJRWBIVKU-UONOGXRCSA-N 2 1 254.374 0.768 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)COC ZINC001246303867 807215562 /nfs/dbraw/zinc/21/55/62/807215562.db2.gz AZWRMZDPYURYMR-NEPJUHHUSA-N 2 1 258.362 0.838 20 30 CCEDMP C#CCOC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001251857911 807725123 /nfs/dbraw/zinc/72/51/23/807725123.db2.gz MZEGFHLBIFJVCU-OAHLLOKOSA-N 2 1 280.412 0.947 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001252467427 807878518 /nfs/dbraw/zinc/87/85/18/807878518.db2.gz YKRCPMSFHYLPSS-CQSZACIVSA-N 2 1 256.390 0.824 20 30 CCEDMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CC[C@H](C#N)C1 ZINC001254639002 808269052 /nfs/dbraw/zinc/26/90/52/808269052.db2.gz RZZQHULAGWYRFQ-AXFHLTTASA-N 2 1 281.360 0.073 20 30 CCEDMP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001279031812 808626863 /nfs/dbraw/zinc/62/68/63/808626863.db2.gz SCHHODIONSPNHY-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263809283 809573483 /nfs/dbraw/zinc/57/34/83/809573483.db2.gz JXUINJMJYXNBSZ-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001264454598 809658195 /nfs/dbraw/zinc/65/81/95/809658195.db2.gz FGLCVBYSBQRIDF-ZNMIVQPWSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[N@H+](C)CCCNC(=O)Cn1c[nH+]cc1C ZINC001265012803 809692305 /nfs/dbraw/zinc/69/23/05/809692305.db2.gz RBKCOQAQMGXYKA-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP CC#CC[N@@H+](C)CCCNC(=O)Cn1c[nH+]cc1C ZINC001265012803 809692307 /nfs/dbraw/zinc/69/23/07/809692307.db2.gz RBKCOQAQMGXYKA-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001076573136 815311040 /nfs/dbraw/zinc/31/10/40/815311040.db2.gz MLGSMBCRKBWXCZ-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001076573136 815311045 /nfs/dbraw/zinc/31/10/45/815311045.db2.gz MLGSMBCRKBWXCZ-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001265785747 809853103 /nfs/dbraw/zinc/85/31/03/809853103.db2.gz GWPCVZWIOTUADW-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP COCC#CC[N@@H+](C)CCCNC(=O)Cc1ncc[nH]1 ZINC001265944797 809902041 /nfs/dbraw/zinc/90/20/41/809902041.db2.gz QYIJGOZVAMCSAK-UHFFFAOYSA-N 2 1 278.356 0.040 20 30 CCEDMP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266134346 809944774 /nfs/dbraw/zinc/94/47/74/809944774.db2.gz WEDXONJGXJTSFQ-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266134346 809944776 /nfs/dbraw/zinc/94/47/76/809944776.db2.gz WEDXONJGXJTSFQ-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC#C ZINC001024487645 811351794 /nfs/dbraw/zinc/35/17/94/811351794.db2.gz RCIWPSBCQNCUKB-CVEARBPZSA-N 2 1 287.407 0.688 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCCN1CC#C ZINC001024487645 811351800 /nfs/dbraw/zinc/35/18/00/811351800.db2.gz RCIWPSBCQNCUKB-CVEARBPZSA-N 2 1 287.407 0.688 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077129133 815448803 /nfs/dbraw/zinc/44/88/03/815448803.db2.gz VFTCSTIHEPONOF-RBSFLKMASA-N 2 1 295.427 0.312 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077129133 815448806 /nfs/dbraw/zinc/44/88/06/815448806.db2.gz VFTCSTIHEPONOF-RBSFLKMASA-N 2 1 295.427 0.312 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077129133 815448808 /nfs/dbraw/zinc/44/88/08/815448808.db2.gz VFTCSTIHEPONOF-RBSFLKMASA-N 2 1 295.427 0.312 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077129133 815448811 /nfs/dbraw/zinc/44/88/11/815448811.db2.gz VFTCSTIHEPONOF-RBSFLKMASA-N 2 1 295.427 0.312 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC ZINC001267989338 811929863 /nfs/dbraw/zinc/92/98/63/811929863.db2.gz KMZHOWGYKXPSCI-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC ZINC001267989338 811929864 /nfs/dbraw/zinc/92/98/64/811929864.db2.gz KMZHOWGYKXPSCI-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001268246798 812413796 /nfs/dbraw/zinc/41/37/96/812413796.db2.gz BCBOIXWZSPWMMB-UHFFFAOYSA-N 2 1 265.401 0.742 20 30 CCEDMP C#CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001268315590 812479247 /nfs/dbraw/zinc/47/92/47/812479247.db2.gz OMKOUNZTWINTFQ-AWEZNQCLSA-N 2 1 295.427 0.339 20 30 CCEDMP C#CCC[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268614781 812949122 /nfs/dbraw/zinc/94/91/22/812949122.db2.gz YHVJIPNQFGRMTD-VBROQKIQSA-N 2 1 263.385 0.614 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268673617 812995358 /nfs/dbraw/zinc/99/53/58/812995358.db2.gz HXSQPTGDYYJPHN-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268673617 812995361 /nfs/dbraw/zinc/99/53/61/812995361.db2.gz HXSQPTGDYYJPHN-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001028636184 813072092 /nfs/dbraw/zinc/07/20/92/813072092.db2.gz LLTDIFIDIWKSPD-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028636184 813072100 /nfs/dbraw/zinc/07/21/00/813072100.db2.gz LLTDIFIDIWKSPD-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028636184 813072105 /nfs/dbraw/zinc/07/21/05/813072105.db2.gz LLTDIFIDIWKSPD-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001268797951 813091011 /nfs/dbraw/zinc/09/10/11/813091011.db2.gz CERIHIXSMMGBDK-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001269247451 813287580 /nfs/dbraw/zinc/28/75/80/813287580.db2.gz HVCVNGDSOBKANO-KGLIPLIRSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001269247451 813287584 /nfs/dbraw/zinc/28/75/84/813287584.db2.gz HVCVNGDSOBKANO-KGLIPLIRSA-N 2 1 265.401 0.786 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028780933 813497171 /nfs/dbraw/zinc/49/71/71/813497171.db2.gz OKIIDHCSGTXVML-CQSZACIVSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028983229 813723712 /nfs/dbraw/zinc/72/37/12/813723712.db2.gz ARSYLZAOCFTCQY-UONOGXRCSA-N 2 1 263.385 0.400 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028983229 813723717 /nfs/dbraw/zinc/72/37/17/813723717.db2.gz ARSYLZAOCFTCQY-UONOGXRCSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001270421319 813758495 /nfs/dbraw/zinc/75/84/95/813758495.db2.gz DBYZYNJBMKRAMD-HUUCEWRRSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCCN1CCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001270658820 813878240 /nfs/dbraw/zinc/87/82/40/813878240.db2.gz SDVZHKDKUOIUHV-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087909132 814268259 /nfs/dbraw/zinc/26/82/59/814268259.db2.gz ZINNGLJYYISFAY-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087909132 814268267 /nfs/dbraw/zinc/26/82/67/814268267.db2.gz ZINNGLJYYISFAY-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087909132 814268275 /nfs/dbraw/zinc/26/82/75/814268275.db2.gz ZINNGLJYYISFAY-PMPSAXMXSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001088981468 816202314 /nfs/dbraw/zinc/20/23/14/816202314.db2.gz VDHUSMMRTNFDJQ-ILXRZTDVSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001088981468 816202313 /nfs/dbraw/zinc/20/23/13/816202313.db2.gz VDHUSMMRTNFDJQ-ILXRZTDVSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001088981468 816202315 /nfs/dbraw/zinc/20/23/15/816202315.db2.gz VDHUSMMRTNFDJQ-ILXRZTDVSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCCN1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030964309 816511875 /nfs/dbraw/zinc/51/18/75/816511875.db2.gz ULHPECPBGJFZGZ-AAEUAGOBSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030964309 816511878 /nfs/dbraw/zinc/51/18/78/816511878.db2.gz ULHPECPBGJFZGZ-AAEUAGOBSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030964309 816511881 /nfs/dbraw/zinc/51/18/81/816511881.db2.gz ULHPECPBGJFZGZ-AAEUAGOBSA-N 2 1 251.374 0.561 20 30 CCEDMP N#Cc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cn1 ZINC001234985703 816789202 /nfs/dbraw/zinc/78/92/02/816789202.db2.gz FAFJPJAIPICOSF-AWEZNQCLSA-N 2 1 257.341 0.091 20 30 CCEDMP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553421 817203765 /nfs/dbraw/zinc/20/37/65/817203765.db2.gz KQTCCIONJHXAQU-RBSFLKMASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001077553421 817203772 /nfs/dbraw/zinc/20/37/72/817203772.db2.gz KQTCCIONJHXAQU-RBSFLKMASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553421 817203781 /nfs/dbraw/zinc/20/37/81/817203781.db2.gz KQTCCIONJHXAQU-RBSFLKMASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001077553421 817203788 /nfs/dbraw/zinc/20/37/88/817203788.db2.gz KQTCCIONJHXAQU-RBSFLKMASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001077553421 817203798 /nfs/dbraw/zinc/20/37/98/817203798.db2.gz KQTCCIONJHXAQU-RBSFLKMASA-N 2 1 295.427 0.456 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001031714855 817279122 /nfs/dbraw/zinc/27/91/22/817279122.db2.gz NLCFMGKZVQINEO-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031774194 817356396 /nfs/dbraw/zinc/35/63/96/817356396.db2.gz RMAWAMXPBSXABT-ZDUSSCGKSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031926097 817468939 /nfs/dbraw/zinc/46/89/39/817468939.db2.gz SEQOZFTWLBUJDO-ZFWWWQNUSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220553 817730936 /nfs/dbraw/zinc/73/09/36/817730936.db2.gz JCTGDWALKQMDAK-OLZOCXBDSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220553 817730941 /nfs/dbraw/zinc/73/09/41/817730941.db2.gz JCTGDWALKQMDAK-OLZOCXBDSA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001032313958 817844696 /nfs/dbraw/zinc/84/46/96/817844696.db2.gz QMKWDWRWVSQELZ-IHRRRGAJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001032313958 817844703 /nfs/dbraw/zinc/84/47/03/817844703.db2.gz QMKWDWRWVSQELZ-IHRRRGAJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001032313958 817844708 /nfs/dbraw/zinc/84/47/08/817844708.db2.gz QMKWDWRWVSQELZ-IHRRRGAJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001032313958 817844712 /nfs/dbraw/zinc/84/47/12/817844712.db2.gz QMKWDWRWVSQELZ-IHRRRGAJSA-N 2 1 263.385 0.942 20 30 CCEDMP C=CCN1CCO[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108074777 818548657 /nfs/dbraw/zinc/54/86/57/818548657.db2.gz PANOJFIUWAJRCS-HNNXBMFYSA-N 2 1 292.383 0.585 20 30 CCEDMP C#CCN1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033426012 818773672 /nfs/dbraw/zinc/77/36/72/818773672.db2.gz MUNZICWHFKLBLK-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426012 818773677 /nfs/dbraw/zinc/77/36/77/818773677.db2.gz MUNZICWHFKLBLK-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426012 818773685 /nfs/dbraw/zinc/77/36/85/818773685.db2.gz MUNZICWHFKLBLK-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033426012 818773695 /nfs/dbraw/zinc/77/36/95/818773695.db2.gz MUNZICWHFKLBLK-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001033684310 818886644 /nfs/dbraw/zinc/88/66/44/818886644.db2.gz LXJCSGPPCKGIOA-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001034048255 819044272 /nfs/dbraw/zinc/04/42/72/819044272.db2.gz NRBMTHCJRKZLQX-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034048255 819044277 /nfs/dbraw/zinc/04/42/77/819044277.db2.gz NRBMTHCJRKZLQX-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034048255 819044279 /nfs/dbraw/zinc/04/42/79/819044279.db2.gz NRBMTHCJRKZLQX-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048255 819044290 /nfs/dbraw/zinc/04/42/90/819044290.db2.gz NRBMTHCJRKZLQX-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001034048257 819044550 /nfs/dbraw/zinc/04/45/50/819044550.db2.gz NRBMTHCJRKZLQX-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048257 819044554 /nfs/dbraw/zinc/04/45/54/819044554.db2.gz NRBMTHCJRKZLQX-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048257 819044557 /nfs/dbraw/zinc/04/45/57/819044557.db2.gz NRBMTHCJRKZLQX-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048257 819044569 /nfs/dbraw/zinc/04/45/69/819044569.db2.gz NRBMTHCJRKZLQX-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000706629873 819659194 /nfs/dbraw/zinc/65/91/94/819659194.db2.gz CAVXDFDYKALMID-OAHLLOKOSA-N 2 1 277.368 0.759 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001036216046 819713331 /nfs/dbraw/zinc/71/33/31/819713331.db2.gz BWCRKSQFLHPIRI-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079726485 820459557 /nfs/dbraw/zinc/45/95/57/820459557.db2.gz YIMYPNRYUNJHQC-AAVRWANBSA-N 2 1 263.385 0.396 20 30 CCEDMP C=C(C)CN1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133397 820905711 /nfs/dbraw/zinc/90/57/11/820905711.db2.gz ACMSPCSOILWFOY-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133397 820905719 /nfs/dbraw/zinc/90/57/19/820905719.db2.gz ACMSPCSOILWFOY-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133397 820905727 /nfs/dbraw/zinc/90/57/27/820905727.db2.gz ACMSPCSOILWFOY-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133397 820905740 /nfs/dbraw/zinc/90/57/40/820905740.db2.gz ACMSPCSOILWFOY-RRFJBIMHSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001082447729 820978328 /nfs/dbraw/zinc/97/83/28/820978328.db2.gz MRUWFFWBJPRRHW-JHJVBQTASA-N 2 1 251.374 0.703 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001082570448 821000688 /nfs/dbraw/zinc/00/06/88/821000688.db2.gz LXBKEMIEOKWFRA-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001279160272 821156730 /nfs/dbraw/zinc/15/67/30/821156730.db2.gz BWHYNNBGJVBKIT-CABCVRRESA-N 2 1 293.411 0.026 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084775936 821387652 /nfs/dbraw/zinc/38/76/52/821387652.db2.gz ZLWWAXJJCCYTSP-BZUAXINKSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099969584 821668654 /nfs/dbraw/zinc/66/86/54/821668654.db2.gz KSUZSQXQARWFBA-STQMWFEESA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531150 821771221 /nfs/dbraw/zinc/77/12/21/821771221.db2.gz NAJDNTQCQUWIES-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531150 821771226 /nfs/dbraw/zinc/77/12/26/821771226.db2.gz NAJDNTQCQUWIES-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531150 821771232 /nfs/dbraw/zinc/77/12/32/821771232.db2.gz NAJDNTQCQUWIES-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531150 821771237 /nfs/dbraw/zinc/77/12/37/821771237.db2.gz NAJDNTQCQUWIES-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001273359018 821926593 /nfs/dbraw/zinc/92/65/93/821926593.db2.gz QRKRIAQZXZLSHO-AWEZNQCLSA-N 2 1 290.367 0.032 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100077266 822237888 /nfs/dbraw/zinc/23/78/88/822237888.db2.gz ZPHHNOOJRKHVNB-GJZGRUSLSA-N 2 1 295.427 0.293 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100083127 822255275 /nfs/dbraw/zinc/25/52/75/822255275.db2.gz NPCHEFHSPDLUQI-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130187066 837716534 /nfs/dbraw/zinc/71/65/34/837716534.db2.gz OECRUOLAAAXXAA-GJZGRUSLSA-N 2 1 293.411 0.359 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297173 837749509 /nfs/dbraw/zinc/74/95/09/837749509.db2.gz IVWHWOVZBLYFSG-LLVKDONJSA-N 2 1 259.781 0.929 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183582390 844046459 /nfs/dbraw/zinc/04/64/59/844046459.db2.gz XKMYAXQALDSEPW-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183582390 844046468 /nfs/dbraw/zinc/04/64/68/844046468.db2.gz XKMYAXQALDSEPW-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108395199 836001134 /nfs/dbraw/zinc/00/11/34/836001134.db2.gz PVBRKVQUZHZVGB-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108395199 836001143 /nfs/dbraw/zinc/00/11/43/836001143.db2.gz PVBRKVQUZHZVGB-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108395199 836001146 /nfs/dbraw/zinc/00/11/46/836001146.db2.gz PVBRKVQUZHZVGB-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108395199 836001154 /nfs/dbraw/zinc/00/11/54/836001154.db2.gz PVBRKVQUZHZVGB-ZBFHGGJFSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108832158 836536437 /nfs/dbraw/zinc/53/64/37/836536437.db2.gz OHHRFTSERBKUIQ-ZNMIVQPWSA-N 2 1 277.412 0.929 20 30 CCEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169992576 836654979 /nfs/dbraw/zinc/65/49/79/836654979.db2.gz XFXHYXUZHVUQSW-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169992576 836654981 /nfs/dbraw/zinc/65/49/81/836654981.db2.gz XFXHYXUZHVUQSW-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109402392 836671854 /nfs/dbraw/zinc/67/18/54/836671854.db2.gz PMRQTFMTZHUYSU-QPSCCSFWSA-N 2 1 275.396 0.681 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109402392 836671866 /nfs/dbraw/zinc/67/18/66/836671866.db2.gz PMRQTFMTZHUYSU-QPSCCSFWSA-N 2 1 275.396 0.681 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131377179 838073547 /nfs/dbraw/zinc/07/35/47/838073547.db2.gz KMYOYOSNOUMJPN-UHFFFAOYSA-N 2 1 256.737 0.650 20 30 CCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426310 838392429 /nfs/dbraw/zinc/39/24/29/838392429.db2.gz VLXVGDFLRKMGFN-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133865703 838755918 /nfs/dbraw/zinc/75/59/18/838755918.db2.gz FFXZKEOFMLKKBT-ZDUSSCGKSA-N 2 1 274.368 0.483 20 30 CCEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134804293 839079816 /nfs/dbraw/zinc/07/98/16/839079816.db2.gz FTCFYSWUKBZPQH-NWDGAFQWSA-N 2 1 292.383 0.856 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185651166 844441824 /nfs/dbraw/zinc/44/18/24/844441824.db2.gz VJVHJPROMIOCQN-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090537683 839625093 /nfs/dbraw/zinc/62/50/93/839625093.db2.gz MYUJVRNROFCOJJ-CABCVRRESA-N 2 1 295.427 0.456 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC)C1 ZINC001091076045 840036017 /nfs/dbraw/zinc/03/60/17/840036017.db2.gz JWMOOFZAVIDXGG-NRXISQOPSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC)C1 ZINC001091076045 840036024 /nfs/dbraw/zinc/03/60/24/840036024.db2.gz JWMOOFZAVIDXGG-NRXISQOPSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001147657906 840650531 /nfs/dbraw/zinc/65/05/31/840650531.db2.gz GZZWYRFQYGKVJL-AWEZNQCLSA-N 2 1 295.402 0.834 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cncc3C)C[C@]2(C)C1 ZINC001091857316 840969219 /nfs/dbraw/zinc/96/92/19/840969219.db2.gz DWCMQTKJEPMQMO-ZBFHGGJFSA-N 2 1 286.379 0.605 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091857316 840969230 /nfs/dbraw/zinc/96/92/30/840969230.db2.gz DWCMQTKJEPMQMO-ZBFHGGJFSA-N 2 1 286.379 0.605 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)CC[C@H]21 ZINC001036855286 841384169 /nfs/dbraw/zinc/38/41/69/841384169.db2.gz YOTFWNDGRILAFZ-ZIAGYGMSSA-N 2 1 286.379 0.898 20 30 CCEDMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[NH3+])C[C@H]1C#N ZINC001172966114 841990527 /nfs/dbraw/zinc/99/05/27/841990527.db2.gz MKARIALUDOVXNF-SDDRHHMPSA-N 2 1 298.387 0.187 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178355766 842829318 /nfs/dbraw/zinc/82/93/18/842829318.db2.gz BUSQZPYXGYTGEU-KKUMJFAQSA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237710 845371541 /nfs/dbraw/zinc/37/15/41/845371541.db2.gz DTSDYFRXTTVCOW-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237710 845371548 /nfs/dbraw/zinc/37/15/48/845371548.db2.gz DTSDYFRXTTVCOW-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237710 845371553 /nfs/dbraw/zinc/37/15/53/845371553.db2.gz DTSDYFRXTTVCOW-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190653797 845454283 /nfs/dbraw/zinc/45/42/83/845454283.db2.gz GHOFGNPTQFWIOQ-HUUCEWRRSA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948909 845932951 /nfs/dbraw/zinc/93/29/51/845932951.db2.gz XQGNKHOFMCCORY-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488185 846091460 /nfs/dbraw/zinc/09/14/60/846091460.db2.gz MARSIJFMLCBLRG-CQSZACIVSA-N 2 1 283.416 0.673 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196115807 846691845 /nfs/dbraw/zinc/69/18/45/846691845.db2.gz RYALFTONQQIZKD-RBSFLKMASA-N 2 1 297.443 0.844 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001197024233 846835105 /nfs/dbraw/zinc/83/51/05/846835105.db2.gz BDXIENXKIWGQGH-RBSFLKMASA-N 2 1 297.443 0.700 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001197024233 846835109 /nfs/dbraw/zinc/83/51/09/846835109.db2.gz BDXIENXKIWGQGH-RBSFLKMASA-N 2 1 297.443 0.700 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493414 846928773 /nfs/dbraw/zinc/92/87/73/846928773.db2.gz MCEMSJANRMGKEG-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493414 846928781 /nfs/dbraw/zinc/92/87/81/846928781.db2.gz MCEMSJANRMGKEG-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493414 846928789 /nfs/dbraw/zinc/92/87/89/846928789.db2.gz MCEMSJANRMGKEG-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2cnc[nH]2)CCCO1 ZINC001200648758 847679051 /nfs/dbraw/zinc/67/90/51/847679051.db2.gz QLCYIKVISDNWQD-CQSZACIVSA-N 2 1 292.383 0.735 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201809438 847815878 /nfs/dbraw/zinc/81/58/78/847815878.db2.gz NUXXJRCZRNZNCX-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001274269045 848434401 /nfs/dbraw/zinc/43/44/01/848434401.db2.gz IAQIBCXZNGCXID-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001274500843 848490772 /nfs/dbraw/zinc/49/07/72/848490772.db2.gz BTYQESCLVWCJEQ-ZDUSSCGKSA-N 2 1 281.400 0.210 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001274841255 848574905 /nfs/dbraw/zinc/57/49/05/848574905.db2.gz QWIUWKUUBVBSMS-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CCC[C@H](C)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC ZINC001258718613 849439968 /nfs/dbraw/zinc/43/99/68/849439968.db2.gz RYBLAESCXYNKNC-QWRGUYRKSA-N 2 1 270.377 0.736 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038269439 849834082 /nfs/dbraw/zinc/83/40/82/849834082.db2.gz PJYDYSDOYNNUCF-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038269439 849834089 /nfs/dbraw/zinc/83/40/89/849834089.db2.gz PJYDYSDOYNNUCF-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001038269439 849834097 /nfs/dbraw/zinc/83/40/97/849834097.db2.gz PJYDYSDOYNNUCF-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001038269439 849834109 /nfs/dbraw/zinc/83/41/09/849834109.db2.gz PJYDYSDOYNNUCF-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042356912 850619616 /nfs/dbraw/zinc/61/96/16/850619616.db2.gz UYHZEWYFNAQVIE-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042356912 850619619 /nfs/dbraw/zinc/61/96/19/850619619.db2.gz UYHZEWYFNAQVIE-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001048864546 852089863 /nfs/dbraw/zinc/08/98/63/852089863.db2.gz JELNISAGTWGJOF-GASCZTMLSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001048864546 852089871 /nfs/dbraw/zinc/08/98/71/852089871.db2.gz JELNISAGTWGJOF-GASCZTMLSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001048864546 852089882 /nfs/dbraw/zinc/08/98/82/852089882.db2.gz JELNISAGTWGJOF-GASCZTMLSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048888913 852098978 /nfs/dbraw/zinc/09/89/78/852098978.db2.gz ASGKYYBOOHAZIA-APIJFGDWSA-N 2 1 293.411 0.282 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048888913 852098989 /nfs/dbraw/zinc/09/89/89/852098989.db2.gz ASGKYYBOOHAZIA-APIJFGDWSA-N 2 1 293.411 0.282 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048888913 852099001 /nfs/dbraw/zinc/09/90/01/852099001.db2.gz ASGKYYBOOHAZIA-APIJFGDWSA-N 2 1 293.411 0.282 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048888913 852099012 /nfs/dbraw/zinc/09/90/12/852099012.db2.gz ASGKYYBOOHAZIA-APIJFGDWSA-N 2 1 293.411 0.282 20 30 CCEDMP C#CC[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001492110372 907704324 /nfs/dbraw/zinc/70/43/24/907704324.db2.gz DVEPCGTUUCCUOO-CHWSQXEVSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097085822 852498616 /nfs/dbraw/zinc/49/86/16/852498616.db2.gz QIAOKCQTSLZJRA-QXSJWSMHSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097085822 852498620 /nfs/dbraw/zinc/49/86/20/852498620.db2.gz QIAOKCQTSLZJRA-QXSJWSMHSA-N 2 1 287.407 0.683 20 30 CCEDMP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001051241320 853552326 /nfs/dbraw/zinc/55/23/26/853552326.db2.gz LKEULNHCTWCPTL-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001051241320 853552332 /nfs/dbraw/zinc/55/23/32/853552332.db2.gz LKEULNHCTWCPTL-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001051241320 853552339 /nfs/dbraw/zinc/55/23/39/853552339.db2.gz LKEULNHCTWCPTL-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001051241320 853552346 /nfs/dbraw/zinc/55/23/46/853552346.db2.gz LKEULNHCTWCPTL-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC#C)CC1 ZINC001052457188 853752879 /nfs/dbraw/zinc/75/28/79/853752879.db2.gz PXQMKLWYCLQIFQ-CVEARBPZSA-N 2 1 287.407 0.688 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#C)CC1 ZINC001052457188 853752881 /nfs/dbraw/zinc/75/28/81/853752881.db2.gz PXQMKLWYCLQIFQ-CVEARBPZSA-N 2 1 287.407 0.688 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC#C)CC1 ZINC001052457188 853752883 /nfs/dbraw/zinc/75/28/83/853752883.db2.gz PXQMKLWYCLQIFQ-CVEARBPZSA-N 2 1 287.407 0.688 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC#C)CC1 ZINC001052457188 853752884 /nfs/dbraw/zinc/75/28/84/853752884.db2.gz PXQMKLWYCLQIFQ-CVEARBPZSA-N 2 1 287.407 0.688 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071796170 854295362 /nfs/dbraw/zinc/29/53/62/854295362.db2.gz QBINWEUFWLRSCR-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872519 855014450 /nfs/dbraw/zinc/01/44/50/855014450.db2.gz VIZKRIXLRUHEJB-ZIAGYGMSSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100083241 855097690 /nfs/dbraw/zinc/09/76/90/855097690.db2.gz PAWFERNQUGOIKD-GJZGRUSLSA-N 2 1 295.427 0.293 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100083241 855097697 /nfs/dbraw/zinc/09/76/97/855097697.db2.gz PAWFERNQUGOIKD-GJZGRUSLSA-N 2 1 295.427 0.293 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100083241 855097703 /nfs/dbraw/zinc/09/77/03/855097703.db2.gz PAWFERNQUGOIKD-GJZGRUSLSA-N 2 1 295.427 0.293 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124739 855102700 /nfs/dbraw/zinc/10/27/00/855102700.db2.gz MOKJGYSKBWNZAQ-LSDHHAIUSA-N 2 1 295.427 0.600 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100185673 855113416 /nfs/dbraw/zinc/11/34/16/855113416.db2.gz KAGSBXQITNIYCE-JXQTWKCFSA-N 2 1 263.385 0.588 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100980891 855251809 /nfs/dbraw/zinc/25/18/09/855251809.db2.gz LDYNYQVPGDEWCW-MOKVOYLWSA-N 2 1 263.385 0.446 20 30 CCEDMP C[NH+]1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001116460061 855770690 /nfs/dbraw/zinc/77/06/90/855770690.db2.gz XFZSTDFQUIVASW-BUHFOSPRSA-N 2 1 278.356 0.197 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cncn1C ZINC001323334078 912276496 /nfs/dbraw/zinc/27/64/96/912276496.db2.gz HTZZBVSFOCQNER-CYBMUJFWSA-N 2 1 292.383 0.356 20 30 CCEDMP C=CCOCCN1CC[C@@H]1CNC(=O)Cc1cncn1C ZINC001323334078 912276507 /nfs/dbraw/zinc/27/65/07/912276507.db2.gz HTZZBVSFOCQNER-CYBMUJFWSA-N 2 1 292.383 0.356 20 30 CCEDMP COCC#CCN1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001323358370 912291489 /nfs/dbraw/zinc/29/14/89/912291489.db2.gz SHRBQZOYFKKDGK-AWEZNQCLSA-N 2 1 281.400 0.167 20 30 CCEDMP C=CC[NH2+][C@H](CO)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001283832348 892459191 /nfs/dbraw/zinc/45/91/91/892459191.db2.gz UHCAQWRHHICVLH-GJZGRUSLSA-N 2 1 291.395 0.542 20 30 CCEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481506808 892755572 /nfs/dbraw/zinc/75/55/72/892755572.db2.gz LCZAYKKIUPVORA-UONOGXRCSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001481506808 892755575 /nfs/dbraw/zinc/75/55/75/892755575.db2.gz LCZAYKKIUPVORA-UONOGXRCSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481506808 892755582 /nfs/dbraw/zinc/75/55/82/892755582.db2.gz LCZAYKKIUPVORA-UONOGXRCSA-N 2 1 265.401 0.904 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC001326045471 913715811 /nfs/dbraw/zinc/71/58/11/913715811.db2.gz COJHFMXLXWETEU-UONOGXRCSA-N 2 1 287.367 0.576 20 30 CCEDMP C#CC[NH2+][C@H](CC)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001481820577 893189099 /nfs/dbraw/zinc/18/90/99/893189099.db2.gz GGXOMMDKZRPLMP-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001482199258 893519765 /nfs/dbraw/zinc/51/97/65/893519765.db2.gz JTHHRUWVCHXWNR-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001482199258 893519794 /nfs/dbraw/zinc/51/97/94/893519794.db2.gz JTHHRUWVCHXWNR-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001482199258 893519811 /nfs/dbraw/zinc/51/98/11/893519811.db2.gz JTHHRUWVCHXWNR-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001482199258 893519827 /nfs/dbraw/zinc/51/98/27/893519827.db2.gz JTHHRUWVCHXWNR-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP COCC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001496729679 894171699 /nfs/dbraw/zinc/17/16/99/894171699.db2.gz MHVVHNVFDSVBFW-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001496729679 894171706 /nfs/dbraw/zinc/17/17/06/894171706.db2.gz MHVVHNVFDSVBFW-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001496729679 894171713 /nfs/dbraw/zinc/17/17/13/894171713.db2.gz MHVVHNVFDSVBFW-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001496729679 894171723 /nfs/dbraw/zinc/17/17/23/894171723.db2.gz MHVVHNVFDSVBFW-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484277913 896312088 /nfs/dbraw/zinc/31/20/88/896312088.db2.gz OUAJXIKDHRCOKR-AWEZNQCLSA-N 2 1 297.443 0.702 20 30 CCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001484493003 896437930 /nfs/dbraw/zinc/43/79/30/896437930.db2.gz ARISMWCIANQPJA-CQSZACIVSA-N 2 1 283.416 0.315 20 30 CCEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484550191 896468091 /nfs/dbraw/zinc/46/80/91/896468091.db2.gz QYDFYPPTNLSETQ-UONOGXRCSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001485305220 896950421 /nfs/dbraw/zinc/95/04/21/896950421.db2.gz AXUPBMHMVYMYCI-MELADBBJSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001485305220 896950433 /nfs/dbraw/zinc/95/04/33/896950433.db2.gz AXUPBMHMVYMYCI-MELADBBJSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001485305220 896950442 /nfs/dbraw/zinc/95/04/42/896950442.db2.gz AXUPBMHMVYMYCI-MELADBBJSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC=C ZINC001032453631 897588447 /nfs/dbraw/zinc/58/84/47/897588447.db2.gz HPWLAYQZUSOCJE-JYJNAYRXSA-N 2 1 287.407 0.945 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408665 897885630 /nfs/dbraw/zinc/88/56/30/897885630.db2.gz XBHIUTIMCHXKES-ZIAGYGMSSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001485959562 898559847 /nfs/dbraw/zinc/55/98/47/898559847.db2.gz WWNFDNCHIZAQSP-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001485959562 898559863 /nfs/dbraw/zinc/55/98/63/898559863.db2.gz WWNFDNCHIZAQSP-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001486519635 898921196 /nfs/dbraw/zinc/92/11/96/898921196.db2.gz WERDDNFFIZMMKD-UHFFFAOYSA-N 2 1 263.385 0.710 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)CC[NH+](C)CC)CC1 ZINC001486519635 898921203 /nfs/dbraw/zinc/92/12/03/898921203.db2.gz WERDDNFFIZMMKD-UHFFFAOYSA-N 2 1 263.385 0.710 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)CC[NH+](C)CC)CC1 ZINC001486519635 898921213 /nfs/dbraw/zinc/92/12/13/898921213.db2.gz WERDDNFFIZMMKD-UHFFFAOYSA-N 2 1 263.385 0.710 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001488718543 900353414 /nfs/dbraw/zinc/35/34/14/900353414.db2.gz RUXJTBLWTCQATP-HZSPNIEDSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001488718543 900353424 /nfs/dbraw/zinc/35/34/24/900353424.db2.gz RUXJTBLWTCQATP-HZSPNIEDSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001490459515 900644121 /nfs/dbraw/zinc/64/41/21/900644121.db2.gz RHHPLTSMZVQKKM-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001490515475 900656766 /nfs/dbraw/zinc/65/67/66/900656766.db2.gz UEUJHTBKFLVMQO-OAHLLOKOSA-N 2 1 294.443 0.248 20 30 CCEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491070705 903333511 /nfs/dbraw/zinc/33/35/11/903333511.db2.gz XMPMOUCZDOPKHD-SOUVJXGZSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001316609509 904256873 /nfs/dbraw/zinc/25/68/73/904256873.db2.gz XCTBODVARQZQQV-CQSZACIVSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001316609509 904256886 /nfs/dbraw/zinc/25/68/86/904256886.db2.gz XCTBODVARQZQQV-CQSZACIVSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC001281965712 904379324 /nfs/dbraw/zinc/37/93/24/904379324.db2.gz WCNOSLVSTVNNEF-LBPRGKRZSA-N 2 1 260.341 0.508 20 30 CCEDMP C#CCN(C)C[C@@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC001281965712 904379337 /nfs/dbraw/zinc/37/93/37/904379337.db2.gz WCNOSLVSTVNNEF-LBPRGKRZSA-N 2 1 260.341 0.508 20 30 CCEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001332634653 904543832 /nfs/dbraw/zinc/54/38/32/904543832.db2.gz SBVFHEUXKPIXBU-CABCVRRESA-N 2 1 297.443 0.796 20 30 CCEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001332634653 904543839 /nfs/dbraw/zinc/54/38/39/904543839.db2.gz SBVFHEUXKPIXBU-CABCVRRESA-N 2 1 297.443 0.796 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001332634653 904543854 /nfs/dbraw/zinc/54/38/54/904543854.db2.gz SBVFHEUXKPIXBU-CABCVRRESA-N 2 1 297.443 0.796 20 30 CCEDMP C=CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001283030964 904675104 /nfs/dbraw/zinc/67/51/04/904675104.db2.gz BNJUTIMREPRLAH-RBSFLKMASA-N 2 1 295.427 0.768 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001283051498 904683182 /nfs/dbraw/zinc/68/31/82/904683182.db2.gz NTMQOLQHGCNGMQ-KKUMJFAQSA-N 2 1 295.402 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001283051498 904683186 /nfs/dbraw/zinc/68/31/86/904683186.db2.gz NTMQOLQHGCNGMQ-KKUMJFAQSA-N 2 1 295.402 0.928 20 30 CCEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001283261246 904781657 /nfs/dbraw/zinc/78/16/57/904781657.db2.gz QUDQKSDKZJTKCI-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001283765404 905004319 /nfs/dbraw/zinc/00/43/19/905004319.db2.gz UCQMKTCGMUBREX-UONOGXRCSA-N 2 1 283.416 0.504 20 30 CCEDMP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001316639523 905662530 /nfs/dbraw/zinc/66/25/30/905662530.db2.gz PNLZVECUUBXJEW-KKUMJFAQSA-N 2 1 293.411 0.072 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001492110374 907706492 /nfs/dbraw/zinc/70/64/92/907706492.db2.gz DVEPCGTUUCCUOO-QWHCGFSZSA-N 2 1 251.374 0.446 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC#CC[NH+](C)C ZINC001313439509 908666255 /nfs/dbraw/zinc/66/62/55/908666255.db2.gz XWEFJVBPEJGHPN-CYBMUJFWSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001316996276 908907843 /nfs/dbraw/zinc/90/78/43/908907843.db2.gz WRUGMLCLJBDCLQ-CQSZACIVSA-N 2 1 263.385 0.686 20 30 CCEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001317011639 908915822 /nfs/dbraw/zinc/91/58/22/908915822.db2.gz OUZJRITZGGJACA-KBPBESRZSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317811775 909509066 /nfs/dbraw/zinc/50/90/66/909509066.db2.gz QLZQUZNVYKQTMU-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317811775 909509079 /nfs/dbraw/zinc/50/90/79/909509079.db2.gz QLZQUZNVYKQTMU-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317811775 909509096 /nfs/dbraw/zinc/50/90/96/909509096.db2.gz QLZQUZNVYKQTMU-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP CC[C@H](C(=O)NCC1C[NH+](CC#CCOC)C1)[NH+](C)C ZINC001318129009 909637222 /nfs/dbraw/zinc/63/72/22/909637222.db2.gz DWDPDYXENVTYMC-CQSZACIVSA-N 2 1 281.400 0.024 20 30 CCEDMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC#CCOC ZINC001318507440 909787215 /nfs/dbraw/zinc/78/72/15/909787215.db2.gz RAZSWVPKYZJVLK-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001319484962 910172953 /nfs/dbraw/zinc/17/29/53/910172953.db2.gz CUJCOUIYPLVDQE-GFCCVEGCSA-N 2 1 292.383 0.810 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320274625 910570308 /nfs/dbraw/zinc/57/03/08/910570308.db2.gz QMESKYMZWBDHGQ-KGLIPLIRSA-N 2 1 283.416 0.361 20 30 CCEDMP CC#CC[NH2+]CCN(CC)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001320839369 910898417 /nfs/dbraw/zinc/89/84/17/910898417.db2.gz AXAXWPDSPDGLHR-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001321011785 911016055 /nfs/dbraw/zinc/01/60/55/911016055.db2.gz FOWSUMDQISGMDD-NNTXTVRGSA-N 2 1 281.400 0.545 20 30 CCEDMP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001321011785 911016071 /nfs/dbraw/zinc/01/60/71/911016071.db2.gz FOWSUMDQISGMDD-NNTXTVRGSA-N 2 1 281.400 0.545 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001322182706 911696998 /nfs/dbraw/zinc/69/69/98/911696998.db2.gz HZRAKNUWGXCCAT-STQMWFEESA-N 2 1 253.390 0.642 20 30 CCEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001329441907 915917077 /nfs/dbraw/zinc/91/70/77/915917077.db2.gz POHHZPMMEMMZAK-BFHYXJOUSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001329441907 915917098 /nfs/dbraw/zinc/91/70/98/915917098.db2.gz POHHZPMMEMMZAK-BFHYXJOUSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001329441907 915917110 /nfs/dbraw/zinc/91/71/10/915917110.db2.gz POHHZPMMEMMZAK-BFHYXJOUSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001329516614 915980267 /nfs/dbraw/zinc/98/02/67/915980267.db2.gz REFIQSWNPKUVFZ-GFCCVEGCSA-N 2 1 251.374 0.398 20 30 CCEDMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001329876641 916246190 /nfs/dbraw/zinc/24/61/90/916246190.db2.gz RCIFGDHPEGRZDZ-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001329876641 916246207 /nfs/dbraw/zinc/24/62/07/916246207.db2.gz RCIFGDHPEGRZDZ-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001330405256 916609604 /nfs/dbraw/zinc/60/96/04/916609604.db2.gz QOGRXIXBSQXUCD-KGLIPLIRSA-N 2 1 292.383 0.583 20 30 CCEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001330655529 916769229 /nfs/dbraw/zinc/76/92/29/916769229.db2.gz JTGWSKRGGCHGSW-MGPQQGTHSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001332050278 917825292 /nfs/dbraw/zinc/82/52/92/917825292.db2.gz SEZRIDSGQAJTAX-TZMCWYRMSA-N 2 1 274.368 0.794 20 30 CCEDMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC001335395645 920168822 /nfs/dbraw/zinc/16/88/22/920168822.db2.gz XHQBPPHQWNRHPS-KBPBESRZSA-N 2 1 268.405 0.124 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001336727353 920957123 /nfs/dbraw/zinc/95/71/23/920957123.db2.gz HCOVLVIERIRORQ-YPMHNXCESA-N 2 1 260.341 0.842 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)CCC(=O)OCC)CC1 ZINC001336780992 921005551 /nfs/dbraw/zinc/00/55/51/921005551.db2.gz QPIKMOAZDXSBHI-HNNXBMFYSA-N 2 1 296.411 0.768 20 30 CCEDMP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC001336801188 921020625 /nfs/dbraw/zinc/02/06/25/921020625.db2.gz WDUIUPCXAWNQOP-AAEUAGOBSA-N 2 1 257.378 0.189 20 30 CCEDMP C#CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001340882346 922258998 /nfs/dbraw/zinc/25/89/98/922258998.db2.gz XTKFRZZCIPELFC-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH2+]CC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC001340906879 922268016 /nfs/dbraw/zinc/26/80/16/922268016.db2.gz NRPOPSLRCHZYQU-NSHDSACASA-N 2 1 258.325 0.059 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCCC[NH+]1C ZINC001340923614 922280090 /nfs/dbraw/zinc/28/00/90/922280090.db2.gz ROPZVYPMMLHLPJ-CQSZACIVSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001340923614 922280109 /nfs/dbraw/zinc/28/01/09/922280109.db2.gz ROPZVYPMMLHLPJ-CQSZACIVSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001340923614 922280121 /nfs/dbraw/zinc/28/01/21/922280121.db2.gz ROPZVYPMMLHLPJ-CQSZACIVSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[NH2+]CC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC001341601559 922575943 /nfs/dbraw/zinc/57/59/43/922575943.db2.gz WXKDRVHJQGBMCV-UHFFFAOYSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[NH2+]CC(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001354513099 926122265 /nfs/dbraw/zinc/12/22/65/926122265.db2.gz YQWGDZPYWGCTDZ-GFCCVEGCSA-N 2 1 257.337 0.688 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001443738488 929687514 /nfs/dbraw/zinc/68/75/14/929687514.db2.gz BQHRQUYLUZSNLV-AWEZNQCLSA-N 2 1 294.443 0.389 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001443738488 929687522 /nfs/dbraw/zinc/68/75/22/929687522.db2.gz BQHRQUYLUZSNLV-AWEZNQCLSA-N 2 1 294.443 0.389 20 30 CCEDMP COCC[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600720191 362044860 /nfs/dbraw/zinc/04/48/60/362044860.db2.gz HIHJYBTZWYSKPP-AWEZNQCLSA-N 2 1 281.400 0.742 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000600739844 362051063 /nfs/dbraw/zinc/05/10/63/362051063.db2.gz UREZIWSISLUGSH-KBPBESRZSA-N 2 1 281.400 0.478 20 30 CCEDMP C[NH+](C)CCOCC[NH2+]Cc1nc(C#N)cs1 ZINC000352907976 356108948 /nfs/dbraw/zinc/10/89/48/356108948.db2.gz WKLLPBTWVLUMAV-UHFFFAOYSA-N 2 1 254.359 0.683 20 30 CCEDMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441804 360310168 /nfs/dbraw/zinc/31/01/68/360310168.db2.gz XABHJZCQBLQGKI-NWDGAFQWSA-N 2 1 252.362 0.608 20 30 CCEDMP C[N@H+](CCc1ccc(C#N)cc1)CCN1CC[NH2+]CC1 ZINC000595893418 360693027 /nfs/dbraw/zinc/69/30/27/360693027.db2.gz QOHXIVZRWWDHAI-UHFFFAOYSA-N 2 1 272.396 0.938 20 30 CCEDMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595942922 360718875 /nfs/dbraw/zinc/71/88/75/360718875.db2.gz FCCFBISGQJZBMK-CHWSQXEVSA-N 2 1 266.389 0.998 20 30 CCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(C#N)cnn1 ZINC000596361935 360885162 /nfs/dbraw/zinc/88/51/62/360885162.db2.gz MQSRLFHQSULQAC-LBPRGKRZSA-N 2 1 276.388 0.454 20 30 CCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(C#N)cnn1 ZINC000596361935 360885166 /nfs/dbraw/zinc/88/51/66/360885166.db2.gz MQSRLFHQSULQAC-LBPRGKRZSA-N 2 1 276.388 0.454 20 30 CCEDMP C[C@H](C#N)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597943171 361286673 /nfs/dbraw/zinc/28/66/73/361286673.db2.gz VOOAJDANMGMZLQ-NEPJUHHUSA-N 2 1 254.378 0.534 20 30 CCEDMP C[C@H](C#N)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597943171 361286675 /nfs/dbraw/zinc/28/66/75/361286675.db2.gz VOOAJDANMGMZLQ-NEPJUHHUSA-N 2 1 254.378 0.534 20 30 CCEDMP C#C[C@@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000289357090 388869113 /nfs/dbraw/zinc/86/91/13/388869113.db2.gz JVMWMMNYWUCYAX-GFCCVEGCSA-N 2 1 259.357 0.340 20 30 CCEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCOCCC#N ZINC000339055470 389123507 /nfs/dbraw/zinc/12/35/07/389123507.db2.gz IRGFPABSFJVEDC-UHFFFAOYSA-N 2 1 268.405 0.486 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358520498 389153442 /nfs/dbraw/zinc/15/34/42/389153442.db2.gz VHYUWGNZIAXGIW-GFCCVEGCSA-N 2 1 294.399 0.462 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(C)c1C ZINC000134214728 389243096 /nfs/dbraw/zinc/24/30/96/389243096.db2.gz XQGYSSODIFQTGS-CYBMUJFWSA-N 2 1 278.404 0.617 20 30 CCEDMP CN(C)C(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264089787 389306428 /nfs/dbraw/zinc/30/64/28/389306428.db2.gz KNQZNRDZIFGGBE-CQSZACIVSA-N 2 1 276.384 0.282 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(O)c1 ZINC000264151843 389309068 /nfs/dbraw/zinc/30/90/68/389309068.db2.gz ZIPHZFFSEFUQBK-UHFFFAOYSA-N 2 1 292.383 0.519 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(C)nn(C)c1C ZINC000267475281 389372127 /nfs/dbraw/zinc/37/21/27/389372127.db2.gz ZDZGPZYLDVOEJC-ZDUSSCGKSA-N 2 1 292.431 0.926 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)CC(C)(C)O)CC(C)(C)O ZINC000351188014 389568212 /nfs/dbraw/zinc/56/82/12/389568212.db2.gz XMCPUZDHXAVYKZ-UHFFFAOYSA-N 2 1 256.390 0.395 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C1=O ZINC000281339775 389614446 /nfs/dbraw/zinc/61/44/46/389614446.db2.gz MKMDZSMHBFMZNA-CYBMUJFWSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C1=O ZINC000281339775 389614447 /nfs/dbraw/zinc/61/44/47/389614447.db2.gz MKMDZSMHBFMZNA-CYBMUJFWSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420401317 389997298 /nfs/dbraw/zinc/99/72/98/389997298.db2.gz JCIRFGNWDIJZQN-SRVKXCTJSA-N 2 1 282.388 0.303 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420401317 389997299 /nfs/dbraw/zinc/99/72/99/389997299.db2.gz JCIRFGNWDIJZQN-SRVKXCTJSA-N 2 1 282.388 0.303 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000491454576 390113609 /nfs/dbraw/zinc/11/36/09/390113609.db2.gz ZUYWPLKCHJXHBL-XHSDSOJGSA-N 2 1 297.443 0.001 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000491454576 390113610 /nfs/dbraw/zinc/11/36/10/390113610.db2.gz ZUYWPLKCHJXHBL-XHSDSOJGSA-N 2 1 297.443 0.001 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000491567136 390114966 /nfs/dbraw/zinc/11/49/66/390114966.db2.gz JOKLYTWOWFRYCR-KGLIPLIRSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000491644784 390115378 /nfs/dbraw/zinc/11/53/78/390115378.db2.gz LOELNFZDJVWLHY-ZIAGYGMSSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000491644784 390115379 /nfs/dbraw/zinc/11/53/79/390115379.db2.gz LOELNFZDJVWLHY-ZIAGYGMSSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000491644784 390115380 /nfs/dbraw/zinc/11/53/80/390115380.db2.gz LOELNFZDJVWLHY-ZIAGYGMSSA-N 2 1 280.416 0.723 20 30 CCEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000562442889 390489710 /nfs/dbraw/zinc/48/97/10/390489710.db2.gz AGXYZNYHPUDSSA-ZDUSSCGKSA-N 2 1 289.383 0.972 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000356921268 144044088 /nfs/dbraw/zinc/04/40/88/144044088.db2.gz PAACNGGJZHNAQU-UHFFFAOYSA-N 2 1 286.379 0.812 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361103 412039148 /nfs/dbraw/zinc/03/91/48/412039148.db2.gz YKGIBQLMGCBCCF-MGPQQGTHSA-N 2 1 281.400 0.649 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662702025 414743250 /nfs/dbraw/zinc/74/32/50/414743250.db2.gz VGVIZWCZMLSOKM-GDBMZVCRSA-N 2 1 295.427 0.769 20 30 CCEDMP C=CC[C@@]1(C(=O)NCC[N@H+](C)CCOC)CCC[NH2+]1 ZINC000662702653 414743871 /nfs/dbraw/zinc/74/38/71/414743871.db2.gz BMZXGXALCIMFLL-AWEZNQCLSA-N 2 1 269.389 0.379 20 30 CCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000068808932 260147299 /nfs/dbraw/zinc/14/72/99/260147299.db2.gz UORNBWGOSMVMMR-CYBMUJFWSA-N 2 1 261.373 0.659 20 30 CCEDMP C[C@@H]1[C@H](CO)CC[N@H+]1CC#CC[NH+]1CC[C@@H](CO)[C@@H]1C ZINC000342115652 263389636 /nfs/dbraw/zinc/38/96/36/263389636.db2.gz ASNXJOASJRZXRG-FZKCQIBNSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1[C@H](CO)CC[N@@H+]1CC#CC[NH+]1CC[C@@H](CO)[C@@H]1C ZINC000342115652 263389638 /nfs/dbraw/zinc/38/96/38/263389638.db2.gz ASNXJOASJRZXRG-FZKCQIBNSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1CN(C(=[NH2+])NCC2=CC[N@@H+](C)CC2)CCO1 ZINC000262306777 330005363 /nfs/dbraw/zinc/00/53/63/330005363.db2.gz ASHJMUAPFDGLSX-LLVKDONJSA-N 2 1 252.362 0.284 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H](O)C1(C)C ZINC000262469445 330015412 /nfs/dbraw/zinc/01/54/12/330015412.db2.gz ZKPJDRBHIXCHRG-IJLUTSLNSA-N 2 1 268.405 0.534 20 30 CCEDMP C#CCNC(NCC[N@H+]1CCC[C@@H](C)C1)=[NH+]CC ZINC000262601400 330022651 /nfs/dbraw/zinc/02/26/51/330022651.db2.gz CYQQKNVSWHGNIL-CYBMUJFWSA-N 2 1 250.390 0.907 20 30 CCEDMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262680829 330026511 /nfs/dbraw/zinc/02/65/11/330026511.db2.gz WEFCCDVKVNDAFE-OLZOCXBDSA-N 2 1 268.405 0.896 20 30 CCEDMP C[NH+]=C(NCc1cccn1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262803420 330032721 /nfs/dbraw/zinc/03/27/21/330032721.db2.gz RUGBGOOUJQBFMH-GFCCVEGCSA-N 2 1 275.400 0.927 20 30 CCEDMP C[NH+]=C(NCc1cccn1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262803420 330032723 /nfs/dbraw/zinc/03/27/23/330032723.db2.gz RUGBGOOUJQBFMH-GFCCVEGCSA-N 2 1 275.400 0.927 20 30 CCEDMP C[C@H]1CCCN(C(=[NH2+])NCC[NH+]2CCC(O)CC2)C1 ZINC000263167149 330047075 /nfs/dbraw/zinc/04/70/75/330047075.db2.gz RLQQBFJJDVJYNU-LBPRGKRZSA-N 2 1 268.405 0.490 20 30 CCEDMP Cc1ccc(NCCCNC(=O)[C@H]([NH3+])CCCC#N)[nH+]c1 ZINC000424147254 330293857 /nfs/dbraw/zinc/29/38/57/330293857.db2.gz RAGJUQVVBGBVKQ-CYBMUJFWSA-N 2 1 289.383 0.751 20 30 CCEDMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424160789 330306290 /nfs/dbraw/zinc/30/62/90/330306290.db2.gz UVBCZCOTDKKQSO-QWHCGFSZSA-N 2 1 282.388 0.235 20 30 CCEDMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424160790 330306292 /nfs/dbraw/zinc/30/62/92/330306292.db2.gz UVBCZCOTDKKQSO-STQMWFEESA-N 2 1 282.388 0.235 20 30 CCEDMP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424216703 330329067 /nfs/dbraw/zinc/32/90/67/330329067.db2.gz JDTYJRVYMFBKJQ-CYBMUJFWSA-N 2 1 296.415 0.577 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000491164711 332159319 /nfs/dbraw/zinc/15/93/19/332159319.db2.gz DVULORNRSYFMDK-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000491164711 332159320 /nfs/dbraw/zinc/15/93/20/332159320.db2.gz DVULORNRSYFMDK-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000491164711 332159321 /nfs/dbraw/zinc/15/93/21/332159321.db2.gz DVULORNRSYFMDK-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000491568091 332239661 /nfs/dbraw/zinc/23/96/61/332239661.db2.gz OTJJDGYQDMZQJP-NSHDSACASA-N 2 1 288.342 0.238 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000491646653 332263794 /nfs/dbraw/zinc/26/37/94/332263794.db2.gz UGRSHHWGTSWCJV-OAHLLOKOSA-N 2 1 294.443 0.925 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000491646653 332263795 /nfs/dbraw/zinc/26/37/95/332263795.db2.gz UGRSHHWGTSWCJV-OAHLLOKOSA-N 2 1 294.443 0.925 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000491646653 332263796 /nfs/dbraw/zinc/26/37/96/332263796.db2.gz UGRSHHWGTSWCJV-OAHLLOKOSA-N 2 1 294.443 0.925 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000491698178 332293219 /nfs/dbraw/zinc/29/32/19/332293219.db2.gz LVRRYAUWIDCZDQ-KGLIPLIRSA-N 2 1 278.400 0.192 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000491698677 332293644 /nfs/dbraw/zinc/29/36/44/332293644.db2.gz IEZIFMMQMVGIHD-HUUCEWRRSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000491698677 332293645 /nfs/dbraw/zinc/29/36/45/332293645.db2.gz IEZIFMMQMVGIHD-HUUCEWRRSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000491698677 332293646 /nfs/dbraw/zinc/29/36/46/332293646.db2.gz IEZIFMMQMVGIHD-HUUCEWRRSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000491817907 332368465 /nfs/dbraw/zinc/36/84/65/332368465.db2.gz JTQLHITXLZMRCE-RBSFLKMASA-N 2 1 292.427 0.629 20 30 CCEDMP C#CCNC(=O)[C@H](C)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000174952826 333011529 /nfs/dbraw/zinc/01/15/29/333011529.db2.gz BRORUQYJYXMNSZ-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C=C[C@H](O)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000667812140 545156610 /nfs/dbraw/zinc/15/66/10/545156610.db2.gz FFJKTYRDYJAWAL-KGLIPLIRSA-N 2 1 283.416 0.408 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000731058405 581752138 /nfs/dbraw/zinc/75/21/38/581752138.db2.gz XLVARKFLOFBZOJ-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000731058405 581752140 /nfs/dbraw/zinc/75/21/40/581752140.db2.gz XLVARKFLOFBZOJ-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000731058405 581752144 /nfs/dbraw/zinc/75/21/44/581752144.db2.gz XLVARKFLOFBZOJ-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000731058405 581752147 /nfs/dbraw/zinc/75/21/47/581752147.db2.gz XLVARKFLOFBZOJ-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCOCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000851883659 612984851 /nfs/dbraw/zinc/98/48/51/612984851.db2.gz XMJZXYUAPPYBDH-CVEARBPZSA-N 2 1 279.428 0.594 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000950508750 613010311 /nfs/dbraw/zinc/01/03/11/613010311.db2.gz AGUCEZCKPXXXBV-KBPBESRZSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000950508750 613010313 /nfs/dbraw/zinc/01/03/13/613010313.db2.gz AGUCEZCKPXXXBV-KBPBESRZSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000911786452 612956487 /nfs/dbraw/zinc/95/64/87/612956487.db2.gz GCWBNYCYDZVTSV-UHFFFAOYSA-N 2 1 257.337 0.647 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000876739016 613388159 /nfs/dbraw/zinc/38/81/59/613388159.db2.gz BKSHDFQTCDTICF-GHMZBOCLSA-N 2 1 259.781 0.914 20 30 CCEDMP C#CCC1(O)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000880478537 612973538 /nfs/dbraw/zinc/97/35/38/612973538.db2.gz GVLBJQOMQBJJRT-AWEZNQCLSA-N 2 1 266.385 0.293 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000968645061 612963760 /nfs/dbraw/zinc/96/37/60/612963760.db2.gz LLDZOJJZWREJNE-ZIAGYGMSSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CCOCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000852002174 612984048 /nfs/dbraw/zinc/98/40/48/612984048.db2.gz AADVDNRDPWUBSO-UHFFFAOYSA-N 2 1 275.352 0.862 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000957385729 612990790 /nfs/dbraw/zinc/99/07/90/612990790.db2.gz PESPXCXIPUQMFP-CYBMUJFWSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000957385729 612990791 /nfs/dbraw/zinc/99/07/91/612990791.db2.gz PESPXCXIPUQMFP-CYBMUJFWSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176049 613005047 /nfs/dbraw/zinc/00/50/47/613005047.db2.gz KNDMUBPEWACMLU-INIZCTEOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000836487198 613077037 /nfs/dbraw/zinc/07/70/37/613077037.db2.gz AMDDWHINZFPREN-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000836487198 613077038 /nfs/dbraw/zinc/07/70/38/613077038.db2.gz AMDDWHINZFPREN-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000836487198 613077040 /nfs/dbraw/zinc/07/70/40/613077040.db2.gz AMDDWHINZFPREN-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC#CC)C[C@H]32)CC1 ZINC000962780591 613132011 /nfs/dbraw/zinc/13/20/11/613132011.db2.gz SUZGZVNZPZBGGD-FVQHAEBGSA-N 2 1 299.418 0.401 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000928659862 613133219 /nfs/dbraw/zinc/13/32/19/613133219.db2.gz BFQZHOILVSPCSG-MRXNPFEDSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000925357633 613135533 /nfs/dbraw/zinc/13/55/33/613135533.db2.gz WUUCTYOCZMLXRK-JSGCOSHPSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981872544 613150863 /nfs/dbraw/zinc/15/08/63/613150863.db2.gz MWFZEKHWHRTNSV-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981872544 613150865 /nfs/dbraw/zinc/15/08/65/613150865.db2.gz MWFZEKHWHRTNSV-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC000923577463 613181967 /nfs/dbraw/zinc/18/19/67/613181967.db2.gz VVBAKKVABDKCSI-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC000923577463 613181968 /nfs/dbraw/zinc/18/19/68/613181968.db2.gz VVBAKKVABDKCSI-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000890372401 613183462 /nfs/dbraw/zinc/18/34/62/613183462.db2.gz IUMGYTALSDFJGR-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000890372401 613183463 /nfs/dbraw/zinc/18/34/63/613183463.db2.gz IUMGYTALSDFJGR-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000884021536 613184951 /nfs/dbraw/zinc/18/49/51/613184951.db2.gz DNRIDBNVLMXNBQ-ZDUSSCGKSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000884021536 613184952 /nfs/dbraw/zinc/18/49/52/613184952.db2.gz DNRIDBNVLMXNBQ-ZDUSSCGKSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000836939132 613198003 /nfs/dbraw/zinc/19/80/03/613198003.db2.gz KUENZJACEHFCFQ-DKUMPPAJSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000836939132 613198005 /nfs/dbraw/zinc/19/80/05/613198005.db2.gz KUENZJACEHFCFQ-DKUMPPAJSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000836939132 613198007 /nfs/dbraw/zinc/19/80/07/613198007.db2.gz KUENZJACEHFCFQ-DKUMPPAJSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000836939132 613198008 /nfs/dbraw/zinc/19/80/08/613198008.db2.gz KUENZJACEHFCFQ-DKUMPPAJSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000831708137 613199119 /nfs/dbraw/zinc/19/91/19/613199119.db2.gz PVMIDQMRCMRZHN-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000831708137 613199120 /nfs/dbraw/zinc/19/91/20/613199120.db2.gz PVMIDQMRCMRZHN-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCF)C1 ZINC000969864592 613202148 /nfs/dbraw/zinc/20/21/48/613202148.db2.gz DTQOPJMGGSCANC-HIFRSBDPSA-N 2 1 295.402 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCF)C1 ZINC000969864592 613202150 /nfs/dbraw/zinc/20/21/50/613202150.db2.gz DTQOPJMGGSCANC-HIFRSBDPSA-N 2 1 295.402 0.880 20 30 CCEDMP C[NH+]=C(NCc1ccco1)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000849019155 613220229 /nfs/dbraw/zinc/22/02/29/613220229.db2.gz MPZFKWFWQFUKPC-CYBMUJFWSA-N 2 1 266.345 0.011 20 30 CCEDMP C[NH+]=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC1CC1 ZINC000849000247 613220535 /nfs/dbraw/zinc/22/05/35/613220535.db2.gz LYEGKMVQDWRVMM-NWDGAFQWSA-N 2 1 252.362 0.177 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947686328 613224993 /nfs/dbraw/zinc/22/49/93/613224993.db2.gz WVHLJTJWZKEORY-DZGCQCFKSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968548418 613246830 /nfs/dbraw/zinc/24/68/30/613246830.db2.gz GIGUZVBRFPCXEV-KBPBESRZSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968548418 613246833 /nfs/dbraw/zinc/24/68/33/613246833.db2.gz GIGUZVBRFPCXEV-KBPBESRZSA-N 2 1 275.396 0.542 20 30 CCEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969440411 613247999 /nfs/dbraw/zinc/24/79/99/613247999.db2.gz GKDVWDUYDPBNOZ-HIFRSBDPSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969440411 613248001 /nfs/dbraw/zinc/24/80/01/613248001.db2.gz GKDVWDUYDPBNOZ-HIFRSBDPSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000959852003 613316796 /nfs/dbraw/zinc/31/67/96/613316796.db2.gz UPVMPTAXGBLPIA-BARDWOONSA-N 2 1 275.396 0.539 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000959852003 613316798 /nfs/dbraw/zinc/31/67/98/613316798.db2.gz UPVMPTAXGBLPIA-BARDWOONSA-N 2 1 275.396 0.539 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000959852003 613316801 /nfs/dbraw/zinc/31/68/01/613316801.db2.gz UPVMPTAXGBLPIA-BARDWOONSA-N 2 1 275.396 0.539 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000962294022 613344565 /nfs/dbraw/zinc/34/45/65/613344565.db2.gz QBQGCXMQWIHRBJ-TTZDDIAXSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000962294022 613344566 /nfs/dbraw/zinc/34/45/66/613344566.db2.gz QBQGCXMQWIHRBJ-TTZDDIAXSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000962294022 613344567 /nfs/dbraw/zinc/34/45/67/613344567.db2.gz QBQGCXMQWIHRBJ-TTZDDIAXSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000907515637 613363998 /nfs/dbraw/zinc/36/39/98/613363998.db2.gz NRBJAKWEJYUGGI-KGLIPLIRSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000876874925 613387466 /nfs/dbraw/zinc/38/74/66/613387466.db2.gz LXZVIZSTPJDYSL-GFCCVEGCSA-N 2 1 289.807 0.637 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000876874926 613389329 /nfs/dbraw/zinc/38/93/29/613389329.db2.gz LXZVIZSTPJDYSL-LBPRGKRZSA-N 2 1 289.807 0.637 20 30 CCEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970876058 613530385 /nfs/dbraw/zinc/53/03/85/613530385.db2.gz BTGXIVCIYXPGLJ-CHWSQXEVSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958374652 613548838 /nfs/dbraw/zinc/54/88/38/613548838.db2.gz NUPXANQEPBQJDW-HUUCEWRRSA-N 2 1 295.427 0.313 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000980448463 613634027 /nfs/dbraw/zinc/63/40/27/613634027.db2.gz MRQGJZIWGHQZDF-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000980448463 613634029 /nfs/dbraw/zinc/63/40/29/613634029.db2.gz MRQGJZIWGHQZDF-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000980448463 613634031 /nfs/dbraw/zinc/63/40/31/613634031.db2.gz MRQGJZIWGHQZDF-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000980448463 613634033 /nfs/dbraw/zinc/63/40/33/613634033.db2.gz MRQGJZIWGHQZDF-UONOGXRCSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)N(C)OC)CC1 ZINC000819022098 613675886 /nfs/dbraw/zinc/67/58/86/613675886.db2.gz BCXSXJRSLBHMOU-UHFFFAOYSA-N 2 1 255.362 0.636 20 30 CCEDMP C=CCNC(=[NH2+])NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000848982514 613844585 /nfs/dbraw/zinc/84/45/85/613844585.db2.gz SIBGLHIZWHFYGD-LBPRGKRZSA-N 2 1 254.378 0.643 20 30 CCEDMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000843459977 615779890 /nfs/dbraw/zinc/77/98/90/615779890.db2.gz JXVQVGSFPVVAQJ-UTUOFQBUSA-N 2 1 275.356 0.624 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001026044903 625324739 /nfs/dbraw/zinc/32/47/39/625324739.db2.gz UPCBNYGPLCWIAU-ZSAUSMIDSA-N 2 1 275.396 0.254 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026044903 625324743 /nfs/dbraw/zinc/32/47/43/625324743.db2.gz UPCBNYGPLCWIAU-ZSAUSMIDSA-N 2 1 275.396 0.254 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026044903 625324746 /nfs/dbraw/zinc/32/47/46/625324746.db2.gz UPCBNYGPLCWIAU-ZSAUSMIDSA-N 2 1 275.396 0.254 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001026148450 625343553 /nfs/dbraw/zinc/34/35/53/625343553.db2.gz KFXTXZJVOXQFBO-FAHYXWLWSA-N 2 1 275.396 0.539 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001023291110 622985627 /nfs/dbraw/zinc/98/56/27/622985627.db2.gz FASCOFXYHCZUDR-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023291110 622985641 /nfs/dbraw/zinc/98/56/41/622985641.db2.gz FASCOFXYHCZUDR-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023291110 622985650 /nfs/dbraw/zinc/98/56/50/622985650.db2.gz FASCOFXYHCZUDR-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023291110 622985669 /nfs/dbraw/zinc/98/56/69/622985669.db2.gz FASCOFXYHCZUDR-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023291110 622985680 /nfs/dbraw/zinc/98/56/80/622985680.db2.gz FASCOFXYHCZUDR-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703740 623108696 /nfs/dbraw/zinc/10/86/96/623108696.db2.gz TWSCIWIGVSYVFG-OAHLLOKOSA-N 2 1 289.423 0.934 20 30 CCEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024376034 623300119 /nfs/dbraw/zinc/30/01/19/623300119.db2.gz XWAORQZCXQTGSE-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024376034 623300124 /nfs/dbraw/zinc/30/01/24/623300124.db2.gz XWAORQZCXQTGSE-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024376034 623300129 /nfs/dbraw/zinc/30/01/29/623300129.db2.gz XWAORQZCXQTGSE-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024376034 623300132 /nfs/dbraw/zinc/30/01/32/623300132.db2.gz XWAORQZCXQTGSE-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)no1 ZINC000170911913 623813120 /nfs/dbraw/zinc/81/31/20/623813120.db2.gz BPHFXXLQGNZFDU-NSHDSACASA-N 2 1 265.361 0.872 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001025818577 623888865 /nfs/dbraw/zinc/88/88/65/623888865.db2.gz QHRSOOKWMBCTBO-ARKGTOAJSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001025818577 623888868 /nfs/dbraw/zinc/88/88/68/623888868.db2.gz QHRSOOKWMBCTBO-ARKGTOAJSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001020833652 624610129 /nfs/dbraw/zinc/61/01/29/624610129.db2.gz NPTXMOLORDPWSQ-HDJSIYSDSA-N 2 1 295.346 0.751 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021043496 624650213 /nfs/dbraw/zinc/65/02/13/624650213.db2.gz AKIGWUKIJXZKHT-JHJVBQTASA-N 2 1 251.374 0.751 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001000000788 625810433 /nfs/dbraw/zinc/81/04/33/625810433.db2.gz RGIRDDKFGPYUMT-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001000000788 625810434 /nfs/dbraw/zinc/81/04/34/625810434.db2.gz RGIRDDKFGPYUMT-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP CNC(=O)C(C)(C)CNC(N[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000261929759 631705184 /nfs/dbraw/zinc/70/51/84/631705184.db2.gz JMSFRMKBWBBRTI-LLVKDONJSA-N 2 1 295.431 0.160 20 30 CCEDMP CNC(=O)C(C)(C)CNC(N[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000261929759 631705193 /nfs/dbraw/zinc/70/51/93/631705193.db2.gz JMSFRMKBWBBRTI-LLVKDONJSA-N 2 1 295.431 0.160 20 30 CCEDMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCSCC1 ZINC000262023899 631760598 /nfs/dbraw/zinc/76/05/98/631760598.db2.gz YVRJIBMUQRBMGZ-LLVKDONJSA-N 2 1 268.430 0.834 20 30 CCEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])NC2CC2)CC1 ZINC000303369472 632485276 /nfs/dbraw/zinc/48/52/76/632485276.db2.gz JPBFVFSUXCPNKH-UHFFFAOYSA-N 2 1 253.394 0.081 20 30 CCEDMP CN1CCC[N@H+](CCCNC(=[NH2+])NC2CC2)CC1 ZINC000303369472 632485284 /nfs/dbraw/zinc/48/52/84/632485284.db2.gz JPBFVFSUXCPNKH-UHFFFAOYSA-N 2 1 253.394 0.081 20 30 CCEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])NC2CC2)CC1 ZINC000303369472 632485291 /nfs/dbraw/zinc/48/52/91/632485291.db2.gz JPBFVFSUXCPNKH-UHFFFAOYSA-N 2 1 253.394 0.081 20 30 CCEDMP CC(C)NC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000303985581 632501965 /nfs/dbraw/zinc/50/19/65/632501965.db2.gz TVBGTRHCLSTHTB-UHFFFAOYSA-N 2 1 255.410 0.327 20 30 CCEDMP CC(C)NC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000303985581 632501977 /nfs/dbraw/zinc/50/19/77/632501977.db2.gz TVBGTRHCLSTHTB-UHFFFAOYSA-N 2 1 255.410 0.327 20 30 CCEDMP CC(C)NC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000303985581 632501988 /nfs/dbraw/zinc/50/19/88/632501988.db2.gz TVBGTRHCLSTHTB-UHFFFAOYSA-N 2 1 255.410 0.327 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001007948183 650097560 /nfs/dbraw/zinc/09/75/60/650097560.db2.gz ANXHNGYOQVNGEY-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001007948183 650097561 /nfs/dbraw/zinc/09/75/61/650097561.db2.gz ANXHNGYOQVNGEY-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC000989187675 633166863 /nfs/dbraw/zinc/16/68/63/633166863.db2.gz MZKUFRRXVSEUCE-DGCLKSJQSA-N 2 1 262.357 0.957 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001008539628 650119486 /nfs/dbraw/zinc/11/94/86/650119486.db2.gz LREHTCGUTKXHBA-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008539628 650119489 /nfs/dbraw/zinc/11/94/89/650119489.db2.gz LREHTCGUTKXHBA-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008539628 650119491 /nfs/dbraw/zinc/11/94/91/650119491.db2.gz LREHTCGUTKXHBA-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995551889 638776206 /nfs/dbraw/zinc/77/62/06/638776206.db2.gz OTZQTBPRXBEUPL-CHWSQXEVSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995588918 638779805 /nfs/dbraw/zinc/77/98/05/638779805.db2.gz MILLVLLADKOZNU-STQMWFEESA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995588918 638779806 /nfs/dbraw/zinc/77/98/06/638779806.db2.gz MILLVLLADKOZNU-STQMWFEESA-N 2 1 281.400 0.330 20 30 CCEDMP C[NH+]=C(NCc1cnn(C)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083102387 638791922 /nfs/dbraw/zinc/79/19/22/638791922.db2.gz ZEPFEEICNKDILM-GFCCVEGCSA-N 2 1 276.388 0.322 20 30 CCEDMP C[NH+]=C(NCc1cnn(C)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083102387 638791924 /nfs/dbraw/zinc/79/19/24/638791924.db2.gz ZEPFEEICNKDILM-GFCCVEGCSA-N 2 1 276.388 0.322 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996516914 638821534 /nfs/dbraw/zinc/82/15/34/638821534.db2.gz CIYCSKMLBOBEAY-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000998994060 638952999 /nfs/dbraw/zinc/95/29/99/638952999.db2.gz KGFYWDDITZCISY-JXQTWKCFSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014716111 650480891 /nfs/dbraw/zinc/48/08/91/650480891.db2.gz IHWAKTDYXGAXBY-HUUCEWRRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014716111 650480892 /nfs/dbraw/zinc/48/08/92/650480892.db2.gz IHWAKTDYXGAXBY-HUUCEWRRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014716111 650480893 /nfs/dbraw/zinc/48/08/93/650480893.db2.gz IHWAKTDYXGAXBY-HUUCEWRRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014716111 650480894 /nfs/dbraw/zinc/48/08/94/650480894.db2.gz IHWAKTDYXGAXBY-HUUCEWRRSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015088461 650527707 /nfs/dbraw/zinc/52/77/07/650527707.db2.gz BSLHVTDEMUTQFR-CQSZACIVSA-N 2 1 275.396 0.829 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015088461 650527708 /nfs/dbraw/zinc/52/77/08/650527708.db2.gz BSLHVTDEMUTQFR-CQSZACIVSA-N 2 1 275.396 0.829 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015994588 650671434 /nfs/dbraw/zinc/67/14/34/650671434.db2.gz JPTOPIYUMAHBMJ-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015994588 650671435 /nfs/dbraw/zinc/67/14/35/650671435.db2.gz JPTOPIYUMAHBMJ-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015994588 650671436 /nfs/dbraw/zinc/67/14/36/650671436.db2.gz JPTOPIYUMAHBMJ-STQMWFEESA-N 2 1 251.374 0.705 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015998883 650671957 /nfs/dbraw/zinc/67/19/57/650671957.db2.gz RFGLFAXFQXJTJO-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015998883 650671960 /nfs/dbraw/zinc/67/19/60/650671960.db2.gz RFGLFAXFQXJTJO-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015998883 650671962 /nfs/dbraw/zinc/67/19/62/650671962.db2.gz RFGLFAXFQXJTJO-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016001528 650672083 /nfs/dbraw/zinc/67/20/83/650672083.db2.gz KWOVJDPPAFFFRN-ZDUSSCGKSA-N 2 1 263.385 0.849 20 30 CCEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001016968552 650775112 /nfs/dbraw/zinc/77/51/12/650775112.db2.gz GJMSVZQDUPRQTJ-LSDHHAIUSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001018268658 650851342 /nfs/dbraw/zinc/85/13/42/650851342.db2.gz BHCGSFZNNLMMQY-OKILXGFUSA-N 2 1 272.352 0.500 20 30 CCEDMP C[C@@H]1CC[N@@H+](CCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852869243 644033622 /nfs/dbraw/zinc/03/36/22/644033622.db2.gz AAZDRMPCQDYJHV-CYBMUJFWSA-N 2 1 263.385 0.447 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019168459 650943933 /nfs/dbraw/zinc/94/39/33/650943933.db2.gz DJQLVQUGJHUGDU-WJEHIRDRSA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001019380746 650967917 /nfs/dbraw/zinc/96/79/17/650967917.db2.gz LHGDASQYEKTBFS-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001020250332 651052823 /nfs/dbraw/zinc/05/28/23/651052823.db2.gz BULWLCVOOCDOEU-AVGNSLFASA-N 2 1 267.348 0.290 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001020250332 651052828 /nfs/dbraw/zinc/05/28/28/651052828.db2.gz BULWLCVOOCDOEU-AVGNSLFASA-N 2 1 267.348 0.290 20 30 CCEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@H]1C(F)F)C2 ZINC000884290148 647698009 /nfs/dbraw/zinc/69/80/09/647698009.db2.gz SWJGIXMMJWLHFS-JXJNQWLDSA-N 2 1 298.337 0.191 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303771599 649824348 /nfs/dbraw/zinc/82/43/48/649824348.db2.gz CSVOIETUNRGRRO-OLZOCXBDSA-N 2 1 286.420 0.282 20 30 CCEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])N[C@H](C)COC)CC1 ZINC000303908893 649826957 /nfs/dbraw/zinc/82/69/57/649826957.db2.gz XXMSFVNSVQJOLU-CQSZACIVSA-N 2 1 299.463 0.343 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001266548498 790911402 /nfs/dbraw/zinc/91/14/02/790911402.db2.gz BBKRHMQQAHJOCL-CYBMUJFWSA-N 2 1 262.357 0.816 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001266548498 790911412 /nfs/dbraw/zinc/91/14/12/790911412.db2.gz BBKRHMQQAHJOCL-CYBMUJFWSA-N 2 1 262.357 0.816 20 30 CCEDMP C=CC[NH2+]CC1(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001167460636 791190214 /nfs/dbraw/zinc/19/02/14/791190214.db2.gz KKEYGMVMZRTASE-UHFFFAOYSA-N 2 1 295.427 0.771 20 30 CCEDMP C=CCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267015111 791451086 /nfs/dbraw/zinc/45/10/86/791451086.db2.gz ZXHOSAYZJITKFI-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001267121540 791563811 /nfs/dbraw/zinc/56/38/11/791563811.db2.gz CAZWUGAUMRDEPN-CHWSQXEVSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001267196247 791658450 /nfs/dbraw/zinc/65/84/50/791658450.db2.gz CQPMTZZRTTVDNH-DZGCQCFKSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[N@@H+](C)CCNC(=O)CCCn1ccnc1 ZINC001267233303 791715341 /nfs/dbraw/zinc/71/53/41/791715341.db2.gz LTWQIDFWBGXXLF-UHFFFAOYSA-N 2 1 250.346 0.897 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC ZINC001277846933 806224161 /nfs/dbraw/zinc/22/41/61/806224161.db2.gz VHPODBSTGKTDKK-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC ZINC001277846933 806224166 /nfs/dbraw/zinc/22/41/66/806224166.db2.gz VHPODBSTGKTDKK-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC ZINC001277846935 806224255 /nfs/dbraw/zinc/22/42/55/806224255.db2.gz VHPODBSTGKTDKK-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC ZINC001277846935 806224263 /nfs/dbraw/zinc/22/42/63/806224263.db2.gz VHPODBSTGKTDKK-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP CC[NH+](CC#CCOC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267256159 793255178 /nfs/dbraw/zinc/25/51/78/793255178.db2.gz LLOFYNWUPHKHBJ-AWEZNQCLSA-N 2 1 281.400 0.026 20 30 CCEDMP CC[NH+](CC#CCOC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267256159 793255182 /nfs/dbraw/zinc/25/51/82/793255182.db2.gz LLOFYNWUPHKHBJ-AWEZNQCLSA-N 2 1 281.400 0.026 20 30 CCEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246034702 807128436 /nfs/dbraw/zinc/12/84/36/807128436.db2.gz XULGMPLAOKCBLV-UONOGXRCSA-N 2 1 252.358 0.215 20 30 CCEDMP C#CCOC[C@@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246034702 807128440 /nfs/dbraw/zinc/12/84/40/807128440.db2.gz XULGMPLAOKCBLV-UONOGXRCSA-N 2 1 252.358 0.215 20 30 CCEDMP N#Cc1ccc(F)cc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234992916 806339279 /nfs/dbraw/zinc/33/92/79/806339279.db2.gz UBWJPQYLDNQDIK-HNNXBMFYSA-N 2 1 274.343 0.835 20 30 CCEDMP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCCC#N)CC3)[C@@H]2C1 ZINC001277949655 806437238 /nfs/dbraw/zinc/43/72/38/806437238.db2.gz ZNRAKQDQUGSOLL-ZIAGYGMSSA-N 2 1 290.411 0.822 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149847690 800302478 /nfs/dbraw/zinc/30/24/78/800302478.db2.gz HMHKFPGAAQXANP-CQSZACIVSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149847690 800302482 /nfs/dbraw/zinc/30/24/82/800302482.db2.gz HMHKFPGAAQXANP-CQSZACIVSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150587131 800349300 /nfs/dbraw/zinc/34/93/00/800349300.db2.gz FCWOOSZAEQSBBP-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150587131 800349308 /nfs/dbraw/zinc/34/93/08/800349308.db2.gz FCWOOSZAEQSBBP-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150587131 800349314 /nfs/dbraw/zinc/34/93/14/800349314.db2.gz FCWOOSZAEQSBBP-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150716228 800362576 /nfs/dbraw/zinc/36/25/76/800362576.db2.gz PKSNWQVDVISCKW-HNNXBMFYSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccon2)CC1 ZINC001152330346 800511103 /nfs/dbraw/zinc/51/11/03/800511103.db2.gz MLOYUGGGIRXWRM-UHFFFAOYSA-N 2 1 290.367 0.226 20 30 CCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005777 800891073 /nfs/dbraw/zinc/89/10/73/800891073.db2.gz RMRNXBQUOHUUJB-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156403638 801161456 /nfs/dbraw/zinc/16/14/56/801161456.db2.gz LIORWXIYDFLCAC-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001156901653 801258950 /nfs/dbraw/zinc/25/89/50/801258950.db2.gz RQCQNQOAVKLVJO-HUUCEWRRSA-N 2 1 297.443 0.967 20 30 CCEDMP N#Cc1cnc(Cl)nc1NC(=[NH2+])NCCCC[NH3+] ZINC001157093515 801297929 /nfs/dbraw/zinc/29/79/29/801297929.db2.gz DPPRFKQWHMDGGJ-UHFFFAOYSA-N 2 1 267.724 0.677 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158866578 801717095 /nfs/dbraw/zinc/71/70/95/801717095.db2.gz RYTRNTUKVJVBRB-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158866578 801717100 /nfs/dbraw/zinc/71/71/00/801717100.db2.gz RYTRNTUKVJVBRB-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158866578 801717106 /nfs/dbraw/zinc/71/71/06/801717106.db2.gz RYTRNTUKVJVBRB-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001159327471 801792855 /nfs/dbraw/zinc/79/28/55/801792855.db2.gz LPRYMKYAAQSBLN-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC ZINC001160209325 801919821 /nfs/dbraw/zinc/91/98/21/801919821.db2.gz HTDBXZYWHUNQLE-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC ZINC001160209325 801919816 /nfs/dbraw/zinc/91/98/16/801919816.db2.gz HTDBXZYWHUNQLE-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCC ZINC001160209352 801920478 /nfs/dbraw/zinc/92/04/78/801920478.db2.gz IXOAGYAWIDBZKL-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCC ZINC001160209352 801920479 /nfs/dbraw/zinc/92/04/79/801920479.db2.gz IXOAGYAWIDBZKL-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP N#C[C@@H]1CCCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001160640760 801985398 /nfs/dbraw/zinc/98/53/98/801985398.db2.gz ONPGEUFUKDZQBN-NSHDSACASA-N 2 1 250.346 0.090 20 30 CCEDMP CC[C@@H](CC#N)[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001255175573 808325801 /nfs/dbraw/zinc/32/58/01/808325801.db2.gz RFOODUCYFDLFJB-ZDUSSCGKSA-N 2 1 266.389 0.775 20 30 CCEDMP CC[C@@H](CC#N)[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001255175573 808325808 /nfs/dbraw/zinc/32/58/08/808325808.db2.gz RFOODUCYFDLFJB-ZDUSSCGKSA-N 2 1 266.389 0.775 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166694071 802940819 /nfs/dbraw/zinc/94/08/19/802940819.db2.gz VDIMBUQRLBRWEV-CHWSQXEVSA-N 2 1 251.374 0.303 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166764873 802959382 /nfs/dbraw/zinc/95/93/82/802959382.db2.gz LSDVCLOFNOKUNE-UHFFFAOYSA-N 2 1 295.427 0.464 20 30 CCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204881956 803107920 /nfs/dbraw/zinc/10/79/20/803107920.db2.gz FSAXZEQDLMPKNI-AWEZNQCLSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204881956 803107925 /nfs/dbraw/zinc/10/79/25/803107925.db2.gz FSAXZEQDLMPKNI-AWEZNQCLSA-N 2 1 281.400 0.331 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205680823 803154449 /nfs/dbraw/zinc/15/44/49/803154449.db2.gz BMEYVBMNCKHKHV-CQSZACIVSA-N 2 1 260.341 0.629 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205680823 803154452 /nfs/dbraw/zinc/15/44/52/803154452.db2.gz BMEYVBMNCKHKHV-CQSZACIVSA-N 2 1 260.341 0.629 20 30 CCEDMP CCc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1C#N ZINC001206491252 803253356 /nfs/dbraw/zinc/25/33/56/803253356.db2.gz IXHMXLDQHVIFQK-LSDHHAIUSA-N 2 1 259.353 0.872 20 30 CCEDMP CCc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1C#N ZINC001206491252 803253360 /nfs/dbraw/zinc/25/33/60/803253360.db2.gz IXHMXLDQHVIFQK-LSDHHAIUSA-N 2 1 259.353 0.872 20 30 CCEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411598 803513646 /nfs/dbraw/zinc/51/36/46/803513646.db2.gz YHCHINHEUOMBGE-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411598 803513650 /nfs/dbraw/zinc/51/36/50/803513650.db2.gz YHCHINHEUOMBGE-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211055105 803666531 /nfs/dbraw/zinc/66/65/31/803666531.db2.gz YOPNIGHTNQBFFJ-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343598 803676946 /nfs/dbraw/zinc/67/69/46/803676946.db2.gz BNYNYJKBFKRSFS-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001272085917 814956403 /nfs/dbraw/zinc/95/64/03/814956403.db2.gz ZOTVTSIFDMYMBS-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389147 803737930 /nfs/dbraw/zinc/73/79/30/803737930.db2.gz QOHHCJLJXGFWBE-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389147 803737932 /nfs/dbraw/zinc/73/79/32/803737932.db2.gz QOHHCJLJXGFWBE-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950201 803768735 /nfs/dbraw/zinc/76/87/35/803768735.db2.gz MCCFFDXKKJKKRB-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950201 803768746 /nfs/dbraw/zinc/76/87/46/803768746.db2.gz MCCFFDXKKJKKRB-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216852146 803859702 /nfs/dbraw/zinc/85/97/02/803859702.db2.gz RBVLEXDRRZRDRQ-ZIAGYGMSSA-N 2 1 265.401 0.786 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216851925 803860921 /nfs/dbraw/zinc/86/09/21/803860921.db2.gz LLSSUTFXEUXYEZ-ZIAGYGMSSA-N 2 1 265.401 0.786 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219536660 804339896 /nfs/dbraw/zinc/33/98/96/804339896.db2.gz DMUAETSRENRNKI-UAKXVISKSA-N 2 1 271.320 0.424 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219536659 804340190 /nfs/dbraw/zinc/34/01/90/804340190.db2.gz DMUAETSRENRNKI-LYSGOOTNSA-N 2 1 271.320 0.424 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219870030 804434579 /nfs/dbraw/zinc/43/45/79/804434579.db2.gz XTOOCIVSHOCNIB-UPJWGTAASA-N 2 1 269.389 0.064 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219870030 804434586 /nfs/dbraw/zinc/43/45/86/804434586.db2.gz XTOOCIVSHOCNIB-UPJWGTAASA-N 2 1 269.389 0.064 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345280 804580210 /nfs/dbraw/zinc/58/02/10/804580210.db2.gz ULIAKXRGGOJWQN-ILXRZTDVSA-N 2 1 295.427 0.291 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345280 804580216 /nfs/dbraw/zinc/58/02/16/804580216.db2.gz ULIAKXRGGOJWQN-ILXRZTDVSA-N 2 1 295.427 0.291 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220816947 804672799 /nfs/dbraw/zinc/67/27/99/804672799.db2.gz INTVOQYQENSQAB-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCOCC[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001272151924 815031340 /nfs/dbraw/zinc/03/13/40/815031340.db2.gz IGYYBANIGNRBQI-UHFFFAOYSA-N 2 1 295.427 0.675 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947136 804853252 /nfs/dbraw/zinc/85/32/52/804853252.db2.gz UGHNNTXLOKQLDM-ZIAGYGMSSA-N 2 1 281.400 0.283 20 30 CCEDMP N#Cc1cncc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222094634 804868805 /nfs/dbraw/zinc/86/88/05/804868805.db2.gz HVOZAQHGUYSNFU-UHFFFAOYSA-N 2 1 271.368 0.481 20 30 CCEDMP CCC[N@H+]1CC[C@H](CNC(=O)NCC#CC[NH+](C)C)C1 ZINC001224735484 805072967 /nfs/dbraw/zinc/07/29/67/805072967.db2.gz PKWFNKWVNOHFFQ-CQSZACIVSA-N 2 1 280.416 0.583 20 30 CCEDMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001277087875 805180792 /nfs/dbraw/zinc/18/07/92/805180792.db2.gz RXDUBSFOAUWTRM-MGPQQGTHSA-N 2 1 263.385 0.446 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001246058910 807136535 /nfs/dbraw/zinc/13/65/35/807136535.db2.gz HRODHPGNIVIJEO-BFHYXJOUSA-N 2 1 254.374 0.624 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)Cc2cncn2C)C1 ZINC001278438887 807199062 /nfs/dbraw/zinc/19/90/62/807199062.db2.gz YIFJOVXMMHWHPT-CQSZACIVSA-N 2 1 262.357 0.729 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001278443481 807232420 /nfs/dbraw/zinc/23/24/20/807232420.db2.gz BBRIPCMTYYWVDT-OAHLLOKOSA-N 2 1 263.385 0.686 20 30 CCEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246567986 807295288 /nfs/dbraw/zinc/29/52/88/807295288.db2.gz NJZWGSPSAOGVQX-NILFDRSVSA-N 2 1 259.353 0.883 20 30 CCEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246567986 807295295 /nfs/dbraw/zinc/29/52/95/807295295.db2.gz NJZWGSPSAOGVQX-NILFDRSVSA-N 2 1 259.353 0.883 20 30 CCEDMP C#CCOC[C@@H](O)C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001251842294 807717176 /nfs/dbraw/zinc/71/71/76/807717176.db2.gz ARQCSHYWZKYRRG-ZDUSSCGKSA-N 2 1 295.383 0.127 20 30 CCEDMP C#CCOC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001251885082 807733551 /nfs/dbraw/zinc/73/35/51/807733551.db2.gz NISSUUVMXAWRKN-UONOGXRCSA-N 2 1 254.374 0.319 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252463223 807875526 /nfs/dbraw/zinc/87/55/26/807875526.db2.gz MYPOWFFKOXMXHU-OWCLPIDISA-N 2 1 297.443 0.260 20 30 CCEDMP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC001252491010 807891808 /nfs/dbraw/zinc/89/18/08/807891808.db2.gz MLROKWNVFTULJP-CQSZACIVSA-N 2 1 272.389 0.250 20 30 CCEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001278718484 808054818 /nfs/dbraw/zinc/05/48/18/808054818.db2.gz LVYQBDIJDXWFDC-CQSZACIVSA-N 2 1 295.427 0.912 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001278728744 808077086 /nfs/dbraw/zinc/07/70/86/808077086.db2.gz SOTRYHUMGXLZNY-AWEZNQCLSA-N 2 1 295.427 0.769 20 30 CCEDMP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001278761034 808177903 /nfs/dbraw/zinc/17/79/03/808177903.db2.gz ADSSBHABHLTYNS-SOUVJXGZSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[NH+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001278786441 808244413 /nfs/dbraw/zinc/24/44/13/808244413.db2.gz CQPZKYUFWAIWRQ-GOEBONIOSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001278786441 808244418 /nfs/dbraw/zinc/24/44/18/808244418.db2.gz CQPZKYUFWAIWRQ-GOEBONIOSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001278786441 808244427 /nfs/dbraw/zinc/24/44/27/808244427.db2.gz CQPZKYUFWAIWRQ-GOEBONIOSA-N 2 1 293.411 0.047 20 30 CCEDMP C=CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCOC ZINC001279045161 808635211 /nfs/dbraw/zinc/63/52/11/808635211.db2.gz QSAMMJKHACFEGM-OAHLLOKOSA-N 2 1 295.427 0.579 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001076253172 815269432 /nfs/dbraw/zinc/26/94/32/815269432.db2.gz BPOJOLXHTCGMLZ-MELADBBJSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001076253172 815269435 /nfs/dbraw/zinc/26/94/35/815269435.db2.gz BPOJOLXHTCGMLZ-MELADBBJSA-N 2 1 263.385 0.493 20 30 CCEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001265357218 809763764 /nfs/dbraw/zinc/76/37/64/809763764.db2.gz WGLQQOBGAKPDTO-YUELXQCFSA-N 2 1 277.412 0.834 20 30 CCEDMP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266005164 809916199 /nfs/dbraw/zinc/91/61/99/809916199.db2.gz SFSVEURDVWDFAR-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@@H+](CC)CCCNC(=O)CC[NH+](C)C ZINC001266080583 809932439 /nfs/dbraw/zinc/93/24/39/809932439.db2.gz MVGMMMFDGUHIEN-UHFFFAOYSA-N 2 1 253.390 0.790 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266096708 809935374 /nfs/dbraw/zinc/93/53/74/809935374.db2.gz JDJORPUFIQPZFR-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266096708 809935379 /nfs/dbraw/zinc/93/53/79/809935379.db2.gz JDJORPUFIQPZFR-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266096708 809935383 /nfs/dbraw/zinc/93/53/83/809935383.db2.gz JDJORPUFIQPZFR-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266096708 809935387 /nfs/dbraw/zinc/93/53/87/809935387.db2.gz JDJORPUFIQPZFR-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+](CC)CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001266109321 809937931 /nfs/dbraw/zinc/93/79/31/809937931.db2.gz TXXBBGOZQCVEEZ-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001279453067 809979771 /nfs/dbraw/zinc/97/97/71/809979771.db2.gz CNDMQTUPLJTZBV-CQSZACIVSA-N 2 1 294.443 0.294 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCC1 ZINC001280545758 810029773 /nfs/dbraw/zinc/02/97/73/810029773.db2.gz SCASAGGXTLUFAU-CQSZACIVSA-N 2 1 293.411 0.359 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCC1 ZINC001280545758 810029777 /nfs/dbraw/zinc/02/97/77/810029777.db2.gz SCASAGGXTLUFAU-CQSZACIVSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267303157 811122484 /nfs/dbraw/zinc/12/24/84/811122484.db2.gz KVOLDPFIWWWZEH-ZIAGYGMSSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267303157 811122492 /nfs/dbraw/zinc/12/24/92/811122492.db2.gz KVOLDPFIWWWZEH-ZIAGYGMSSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267303157 811122501 /nfs/dbraw/zinc/12/25/01/811122501.db2.gz KVOLDPFIWWWZEH-ZIAGYGMSSA-N 2 1 263.385 0.400 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077023791 815434922 /nfs/dbraw/zinc/43/49/22/815434922.db2.gz SWAFVCUAOCSKKN-AAVRWANBSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023791 815434924 /nfs/dbraw/zinc/43/49/24/815434924.db2.gz SWAFVCUAOCSKKN-AAVRWANBSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023791 815434926 /nfs/dbraw/zinc/43/49/26/815434926.db2.gz SWAFVCUAOCSKKN-AAVRWANBSA-N 2 1 281.400 0.064 20 30 CCEDMP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001279725402 811569654 /nfs/dbraw/zinc/56/96/54/811569654.db2.gz XOXVELBEXHDPQI-HNNXBMFYSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267683108 811648320 /nfs/dbraw/zinc/64/83/20/811648320.db2.gz JNRNUECXXROVJE-CQSZACIVSA-N 2 1 265.401 0.742 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267693207 811658520 /nfs/dbraw/zinc/65/85/20/811658520.db2.gz WGHIPOMRGGLHKC-ZDUSSCGKSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001028094286 812273037 /nfs/dbraw/zinc/27/30/37/812273037.db2.gz WRKFACYWJUYNPD-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028094286 812273044 /nfs/dbraw/zinc/27/30/44/812273044.db2.gz WRKFACYWJUYNPD-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028094286 812273053 /nfs/dbraw/zinc/27/30/53/812273053.db2.gz WRKFACYWJUYNPD-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001268239797 812404288 /nfs/dbraw/zinc/40/42/88/812404288.db2.gz RATSIWKJNIGYJD-CYBMUJFWSA-N 2 1 271.380 0.690 20 30 CCEDMP COCC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001268246330 812412043 /nfs/dbraw/zinc/41/20/43/812412043.db2.gz YZOYDFJDIYTXJX-CQSZACIVSA-N 2 1 281.400 0.121 20 30 CCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001268246330 812412047 /nfs/dbraw/zinc/41/20/47/812412047.db2.gz YZOYDFJDIYTXJX-CQSZACIVSA-N 2 1 281.400 0.121 20 30 CCEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268246330 812412053 /nfs/dbraw/zinc/41/20/53/812412053.db2.gz YZOYDFJDIYTXJX-CQSZACIVSA-N 2 1 281.400 0.121 20 30 CCEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268246330 812412057 /nfs/dbraw/zinc/41/20/57/812412057.db2.gz YZOYDFJDIYTXJX-CQSZACIVSA-N 2 1 281.400 0.121 20 30 CCEDMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268423973 812560999 /nfs/dbraw/zinc/56/09/99/812560999.db2.gz MAFLAOXOXSMWMI-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268423973 812561005 /nfs/dbraw/zinc/56/10/05/812561005.db2.gz MAFLAOXOXSMWMI-CHWSQXEVSA-N 2 1 269.389 0.378 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207684815 812562261 /nfs/dbraw/zinc/56/22/61/812562261.db2.gz UGHFWEFCMZLUMA-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028444906 812710114 /nfs/dbraw/zinc/71/01/14/812710114.db2.gz IGWWOAZOPDWDIW-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001028444906 812710121 /nfs/dbraw/zinc/71/01/21/812710121.db2.gz IGWWOAZOPDWDIW-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001028444906 812710126 /nfs/dbraw/zinc/71/01/26/812710126.db2.gz IGWWOAZOPDWDIW-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028462116 812729688 /nfs/dbraw/zinc/72/96/88/812729688.db2.gz YFYYXZVHGLTIBH-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028462116 812729695 /nfs/dbraw/zinc/72/96/95/812729695.db2.gz YFYYXZVHGLTIBH-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028462116 812729702 /nfs/dbraw/zinc/72/97/02/812729702.db2.gz YFYYXZVHGLTIBH-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028462116 812729709 /nfs/dbraw/zinc/72/97/09/812729709.db2.gz YFYYXZVHGLTIBH-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028461024 812730245 /nfs/dbraw/zinc/73/02/45/812730245.db2.gz HZKVTGBRHAWERB-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028461024 812730251 /nfs/dbraw/zinc/73/02/51/812730251.db2.gz HZKVTGBRHAWERB-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461024 812730255 /nfs/dbraw/zinc/73/02/55/812730255.db2.gz HZKVTGBRHAWERB-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461024 812730261 /nfs/dbraw/zinc/73/02/61/812730261.db2.gz HZKVTGBRHAWERB-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028545896 812834214 /nfs/dbraw/zinc/83/42/14/812834214.db2.gz UQYRWTCRKBRFHW-UKRRQHHQSA-N 2 1 277.412 0.952 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001268755995 813069135 /nfs/dbraw/zinc/06/91/35/813069135.db2.gz GQLJNFIQFNMDMY-ZIAGYGMSSA-N 2 1 283.416 0.577 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028636225 813072765 /nfs/dbraw/zinc/07/27/65/813072765.db2.gz MKZUEFQGFFZZAX-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001028636225 813072775 /nfs/dbraw/zinc/07/27/75/813072775.db2.gz MKZUEFQGFFZZAX-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028636225 813072784 /nfs/dbraw/zinc/07/27/84/813072784.db2.gz MKZUEFQGFFZZAX-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028776661 813486203 /nfs/dbraw/zinc/48/62/03/813486203.db2.gz RSVLHHJUDRJWMV-ZDUSSCGKSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001271393614 814402469 /nfs/dbraw/zinc/40/24/69/814402469.db2.gz OQHQVZVTAHJMAU-UHFFFAOYSA-N 2 1 295.427 0.601 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001168392202 815750203 /nfs/dbraw/zinc/75/02/03/815750203.db2.gz ZAIHVWHVENUGHL-UHFFFAOYSA-N 2 1 281.400 0.218 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001030346823 815988437 /nfs/dbraw/zinc/98/84/37/815988437.db2.gz FKUJCHPTNDSDMC-CABCVRRESA-N 2 1 293.411 0.616 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030346823 815988441 /nfs/dbraw/zinc/98/84/41/815988441.db2.gz FKUJCHPTNDSDMC-CABCVRRESA-N 2 1 293.411 0.616 20 30 CCEDMP C=CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001272460583 816448297 /nfs/dbraw/zinc/44/82/97/816448297.db2.gz DJUKGGUKNCZDKO-AWEZNQCLSA-N 2 1 297.443 0.892 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257368 816492869 /nfs/dbraw/zinc/49/28/69/816492869.db2.gz XYAIJVWRINVUGO-CHWSQXEVSA-N 2 1 251.374 0.753 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031765026 817348750 /nfs/dbraw/zinc/34/87/50/817348750.db2.gz RVTXSLQAXRVXMX-UHFFFAOYSA-N 2 1 275.396 0.544 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2cnc[nH]2)C1 ZINC001089868510 817574696 /nfs/dbraw/zinc/57/46/96/817574696.db2.gz CTDRAHGIVTXEHG-TUUVXOQKSA-N 2 1 298.390 0.754 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032044470 817576800 /nfs/dbraw/zinc/57/68/00/817576800.db2.gz RXIFQNOWSRSXCX-HUUCEWRRSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032044470 817576805 /nfs/dbraw/zinc/57/68/05/817576805.db2.gz RXIFQNOWSRSXCX-HUUCEWRRSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC#CC)C2)CC1 ZINC001032207408 817703006 /nfs/dbraw/zinc/70/30/06/817703006.db2.gz PWHLZUZTXUSUNS-UHFFFAOYSA-N 2 1 287.407 0.403 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220554 817730225 /nfs/dbraw/zinc/73/02/25/817730225.db2.gz JCTGDWALKQMDAK-QWHCGFSZSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220554 817730229 /nfs/dbraw/zinc/73/02/29/817730229.db2.gz JCTGDWALKQMDAK-QWHCGFSZSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127786368 817868875 /nfs/dbraw/zinc/86/88/75/817868875.db2.gz YXCSXGMJKRWSOQ-ZIAGYGMSSA-N 2 1 281.400 0.522 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077675837 817979901 /nfs/dbraw/zinc/97/99/01/817979901.db2.gz ZZMXLJWZVVKRBO-RBSFLKMASA-N 2 1 295.427 0.598 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@H](C)COC)C1 ZINC001032827223 818124980 /nfs/dbraw/zinc/12/49/80/818124980.db2.gz NECMYVTUCRFTLH-ILXRZTDVSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#CC)CCC1 ZINC001273099884 818605643 /nfs/dbraw/zinc/60/56/43/818605643.db2.gz FMDXZITUSLTFFR-HNNXBMFYSA-N 2 1 287.407 0.736 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#CC)CCC1 ZINC001273099884 818605646 /nfs/dbraw/zinc/60/56/46/818605646.db2.gz FMDXZITUSLTFFR-HNNXBMFYSA-N 2 1 287.407 0.736 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033471654 818784413 /nfs/dbraw/zinc/78/44/13/818784413.db2.gz NIQZHPHCILNUOZ-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001033670369 818880145 /nfs/dbraw/zinc/88/01/45/818880145.db2.gz AUXIOHBRWIKYMQ-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001033670369 818880150 /nfs/dbraw/zinc/88/01/50/818880150.db2.gz AUXIOHBRWIKYMQ-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033670369 818880152 /nfs/dbraw/zinc/88/01/52/818880152.db2.gz AUXIOHBRWIKYMQ-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033670369 818880157 /nfs/dbraw/zinc/88/01/57/818880157.db2.gz AUXIOHBRWIKYMQ-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001033681118 818883582 /nfs/dbraw/zinc/88/35/82/818883582.db2.gz RUQSTHRNIJSEHD-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001033681118 818883586 /nfs/dbraw/zinc/88/35/86/818883586.db2.gz RUQSTHRNIJSEHD-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001033681118 818883590 /nfs/dbraw/zinc/88/35/90/818883590.db2.gz RUQSTHRNIJSEHD-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033681118 818883603 /nfs/dbraw/zinc/88/36/03/818883603.db2.gz RUQSTHRNIJSEHD-KGLIPLIRSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001033774949 818926195 /nfs/dbraw/zinc/92/61/95/818926195.db2.gz LDQPUBXUAGRUPV-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001033774949 818926201 /nfs/dbraw/zinc/92/62/01/818926201.db2.gz LDQPUBXUAGRUPV-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001033774949 818926204 /nfs/dbraw/zinc/92/62/04/818926204.db2.gz LDQPUBXUAGRUPV-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001033774949 818926211 /nfs/dbraw/zinc/92/62/11/818926211.db2.gz LDQPUBXUAGRUPV-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034042806 819042787 /nfs/dbraw/zinc/04/27/87/819042787.db2.gz PYZXLPPLCQNPEQ-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034042806 819042781 /nfs/dbraw/zinc/04/27/81/819042781.db2.gz PYZXLPPLCQNPEQ-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034042806 819042791 /nfs/dbraw/zinc/04/27/91/819042791.db2.gz PYZXLPPLCQNPEQ-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034395644 819193419 /nfs/dbraw/zinc/19/34/19/819193419.db2.gz AKGMAXUOUCJITB-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034395644 819193424 /nfs/dbraw/zinc/19/34/24/819193424.db2.gz AKGMAXUOUCJITB-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034395644 819193431 /nfs/dbraw/zinc/19/34/31/819193431.db2.gz AKGMAXUOUCJITB-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001034733453 819314176 /nfs/dbraw/zinc/31/41/76/819314176.db2.gz CJFCYMUHSALVNL-KKUMJFAQSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079707929 820455787 /nfs/dbraw/zinc/45/57/87/820455787.db2.gz ZQHZUCQTRDKGBC-FVQBIDKESA-N 2 1 289.423 0.788 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001080447001 820577417 /nfs/dbraw/zinc/57/74/17/820577417.db2.gz UABFGJVKMPBMFZ-BFHYXJOUSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001080447001 820577424 /nfs/dbraw/zinc/57/74/24/820577424.db2.gz UABFGJVKMPBMFZ-BFHYXJOUSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001080447001 820577429 /nfs/dbraw/zinc/57/74/29/820577429.db2.gz UABFGJVKMPBMFZ-BFHYXJOUSA-N 2 1 265.401 0.951 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080782783 820631205 /nfs/dbraw/zinc/63/12/05/820631205.db2.gz BCLWAIILWHEVFH-QLFBSQMISA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080787687 820639674 /nfs/dbraw/zinc/63/96/74/820639674.db2.gz NVKVFNGPHYYIRY-CHWSQXEVSA-N 2 1 263.385 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830453 821404832 /nfs/dbraw/zinc/40/48/32/821404832.db2.gz WBKZUKBIIDLZIO-HZSPNIEDSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830453 821404835 /nfs/dbraw/zinc/40/48/35/821404835.db2.gz WBKZUKBIIDLZIO-HZSPNIEDSA-N 2 1 263.385 0.657 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001085035308 821466541 /nfs/dbraw/zinc/46/65/41/821466541.db2.gz QEEFNBDIDLOTMA-ILXRZTDVSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108219594 821999768 /nfs/dbraw/zinc/99/97/68/821999768.db2.gz HAJJSDUWXQZIPT-GOEBONIOSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108219594 821999773 /nfs/dbraw/zinc/99/97/73/821999773.db2.gz HAJJSDUWXQZIPT-GOEBONIOSA-N 2 1 295.427 0.557 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086052707 822093377 /nfs/dbraw/zinc/09/33/77/822093377.db2.gz SHGMJAYBBOYKTA-HZSPNIEDSA-N 2 1 281.400 0.378 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086052707 822093383 /nfs/dbraw/zinc/09/33/83/822093383.db2.gz SHGMJAYBBOYKTA-HZSPNIEDSA-N 2 1 281.400 0.378 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001129771073 837557956 /nfs/dbraw/zinc/55/79/56/837557956.db2.gz QCYVPPHDKRHXSA-GJZGRUSLSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001129771073 837557964 /nfs/dbraw/zinc/55/79/64/837557964.db2.gz QCYVPPHDKRHXSA-GJZGRUSLSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@H]1CCCO1 ZINC001129770796 837559535 /nfs/dbraw/zinc/55/95/35/837559535.db2.gz KZFIAMSJNNOIKB-CABCVRRESA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC[C@H]1CCCO1 ZINC001129770796 837559541 /nfs/dbraw/zinc/55/95/41/837559541.db2.gz KZFIAMSJNNOIKB-CABCVRRESA-N 2 1 293.411 0.359 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129842357 837565424 /nfs/dbraw/zinc/56/54/24/837565424.db2.gz WXQNATLKTNIOAM-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132275 836727307 /nfs/dbraw/zinc/72/73/07/836727307.db2.gz RFYJXFLTWAIAPP-CABCVRRESA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132275 836727312 /nfs/dbraw/zinc/72/73/12/836727312.db2.gz RFYJXFLTWAIAPP-CABCVRRESA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132275 836727317 /nfs/dbraw/zinc/72/73/17/836727317.db2.gz RFYJXFLTWAIAPP-CABCVRRESA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086556255 836894225 /nfs/dbraw/zinc/89/42/25/836894225.db2.gz PFCJRSSCXZNZJY-RBSFLKMASA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086556255 836894231 /nfs/dbraw/zinc/89/42/31/836894231.db2.gz PFCJRSSCXZNZJY-RBSFLKMASA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001098462175 836935350 /nfs/dbraw/zinc/93/53/50/836935350.db2.gz GFVYCKGHAYGTOU-UHFFFAOYSA-N 2 1 297.443 0.800 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001113291547 837078122 /nfs/dbraw/zinc/07/81/22/837078122.db2.gz BYKIFBBSHMLZHD-UHFFFAOYSA-N 2 1 295.427 0.675 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132409744 838389597 /nfs/dbraw/zinc/38/95/97/838389597.db2.gz DNZREUDXLDAAFA-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409744 838389602 /nfs/dbraw/zinc/38/96/02/838389602.db2.gz DNZREUDXLDAAFA-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409744 838389605 /nfs/dbraw/zinc/38/96/05/838389605.db2.gz DNZREUDXLDAAFA-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848644 838505757 /nfs/dbraw/zinc/50/57/57/838505757.db2.gz NQIOGONEBXNGBT-CQSZACIVSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCN1CCC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1=O ZINC001246362218 839821616 /nfs/dbraw/zinc/82/16/16/839821616.db2.gz KQDCXYDOGRFTHC-JHJVBQTASA-N 2 1 251.374 0.894 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001090845831 839850511 /nfs/dbraw/zinc/85/05/11/839850511.db2.gz AQLGVAGRYJWRTO-KBPBESRZSA-N 2 1 292.383 0.401 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCO ZINC001171307373 840606723 /nfs/dbraw/zinc/60/67/23/840606723.db2.gz IKHILBAXSIBYLS-CABCVRRESA-N 2 1 295.427 0.341 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCO ZINC001171307373 840606726 /nfs/dbraw/zinc/60/67/26/840606726.db2.gz IKHILBAXSIBYLS-CABCVRRESA-N 2 1 295.427 0.341 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148604926 840844039 /nfs/dbraw/zinc/84/40/39/840844039.db2.gz KCWQFTXYSGAMOU-UHFFFAOYSA-N 2 1 293.411 0.122 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092198515 841001121 /nfs/dbraw/zinc/00/11/21/841001121.db2.gz PZZNJBARSWKXOL-INMHGKMJSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198515 841001127 /nfs/dbraw/zinc/00/11/27/841001127.db2.gz PZZNJBARSWKXOL-INMHGKMJSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198515 841001133 /nfs/dbraw/zinc/00/11/33/841001133.db2.gz PZZNJBARSWKXOL-INMHGKMJSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092274202 841004555 /nfs/dbraw/zinc/00/45/55/841004555.db2.gz CTKNTBHASJPSIY-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036811354 841244333 /nfs/dbraw/zinc/24/43/33/841244333.db2.gz PJEPADWMDBORKW-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171770018 841762216 /nfs/dbraw/zinc/76/22/16/841762216.db2.gz JSHQRPCHFHVJQA-ZDUSSCGKSA-N 2 1 298.431 0.115 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194629 842087220 /nfs/dbraw/zinc/08/72/20/842087220.db2.gz UUJXAZVTKWTKHC-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194629 842087231 /nfs/dbraw/zinc/08/72/31/842087231.db2.gz UUJXAZVTKWTKHC-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176058574 842319409 /nfs/dbraw/zinc/31/94/09/842319409.db2.gz YGIOYKSTSAZAOH-CYBMUJFWSA-N 2 1 269.389 0.237 20 30 CCEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178107525 842758598 /nfs/dbraw/zinc/75/85/98/842758598.db2.gz RKMPTBXSBHWIGI-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178107525 842758607 /nfs/dbraw/zinc/75/86/07/842758607.db2.gz RKMPTBXSBHWIGI-HNNXBMFYSA-N 2 1 295.427 0.607 20 30 CCEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178106590 842759620 /nfs/dbraw/zinc/75/96/20/842759620.db2.gz FFKHPERTFNFGKM-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178106590 842759626 /nfs/dbraw/zinc/75/96/26/842759626.db2.gz FFKHPERTFNFGKM-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151737792 844996162 /nfs/dbraw/zinc/99/61/62/844996162.db2.gz FJNSZVSGRBIKCY-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151737792 844996166 /nfs/dbraw/zinc/99/61/66/844996166.db2.gz FJNSZVSGRBIKCY-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191376506 845643627 /nfs/dbraw/zinc/64/36/27/845643627.db2.gz RPPOAQMKLLUYDU-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191376506 845643636 /nfs/dbraw/zinc/64/36/36/845643636.db2.gz RPPOAQMKLLUYDU-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193782390 846152596 /nfs/dbraw/zinc/15/25/96/846152596.db2.gz YGRWSLLYWBSVKH-RBSFLKMASA-N 2 1 295.427 0.454 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001196500422 846766150 /nfs/dbraw/zinc/76/61/50/846766150.db2.gz UFBHVKGQXQJIRC-BFHYXJOUSA-N 2 1 290.367 0.019 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197492900 846917829 /nfs/dbraw/zinc/91/78/29/846917829.db2.gz ARGSPGZMIQOSKV-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197492900 846917836 /nfs/dbraw/zinc/91/78/36/846917836.db2.gz ARGSPGZMIQOSKV-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197492900 846917838 /nfs/dbraw/zinc/91/78/38/846917838.db2.gz ARGSPGZMIQOSKV-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976574 847709233 /nfs/dbraw/zinc/70/92/33/847709233.db2.gz VFXCUPROPYLZNJ-AWEZNQCLSA-N 2 1 290.367 0.032 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC#CC)CC1 ZINC001201094675 847720721 /nfs/dbraw/zinc/72/07/21/847720721.db2.gz UPHXIGUDDDPPLQ-INIZCTEOSA-N 2 1 287.407 0.688 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC#CC)CC1 ZINC001201094675 847720724 /nfs/dbraw/zinc/72/07/24/847720724.db2.gz UPHXIGUDDDPPLQ-INIZCTEOSA-N 2 1 287.407 0.688 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114409191 848051438 /nfs/dbraw/zinc/05/14/38/848051438.db2.gz HWCROKWEMBPVKT-YJNKXOJESA-N 2 1 275.396 0.396 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001275144354 848650967 /nfs/dbraw/zinc/65/09/67/848650967.db2.gz YLKVGUAQHBYRSJ-KBPBESRZSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CCN(C)[C@H](C)CNC(=O)[C@H]1CCc2nccn2C1 ZINC001275865359 848850884 /nfs/dbraw/zinc/85/08/84/848850884.db2.gz JATNOCQJWCWOKB-KGLIPLIRSA-N 2 1 288.395 0.905 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001095683626 849009299 /nfs/dbraw/zinc/00/92/99/849009299.db2.gz SNTPWCFPQCJJAX-ILXRZTDVSA-N 2 1 287.407 0.970 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001095683626 849009303 /nfs/dbraw/zinc/00/93/03/849009303.db2.gz SNTPWCFPQCJJAX-ILXRZTDVSA-N 2 1 287.407 0.970 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114743048 849384195 /nfs/dbraw/zinc/38/41/95/849384195.db2.gz BHYJSOHCSPHYGP-IMRBUKKESA-N 2 1 251.374 0.561 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001038628591 849723152 /nfs/dbraw/zinc/72/31/52/849723152.db2.gz RMRPPWZZZOODCI-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038628591 849723160 /nfs/dbraw/zinc/72/31/60/849723160.db2.gz RMRPPWZZZOODCI-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038628591 849723165 /nfs/dbraw/zinc/72/31/65/849723165.db2.gz RMRPPWZZZOODCI-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C(C)C)CC1 ZINC001039042018 850136417 /nfs/dbraw/zinc/13/64/17/850136417.db2.gz LEIGOBQVNCZUHH-HNNXBMFYSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCOC)CC1 ZINC001039042844 850136576 /nfs/dbraw/zinc/13/65/76/850136576.db2.gz XTNDVFBOINHBNC-OAHLLOKOSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001046423672 851496409 /nfs/dbraw/zinc/49/64/09/851496409.db2.gz OMWMBFZQXZFLOC-CZUORRHYSA-N 2 1 286.379 0.659 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001046423672 851496405 /nfs/dbraw/zinc/49/64/05/851496405.db2.gz OMWMBFZQXZFLOC-CZUORRHYSA-N 2 1 286.379 0.659 20 30 CCEDMP C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046926628 851646085 /nfs/dbraw/zinc/64/60/85/851646085.db2.gz UPEBJMVCFRGSJH-QWHCGFSZSA-N 2 1 299.365 0.787 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046926628 851646094 /nfs/dbraw/zinc/64/60/94/851646094.db2.gz UPEBJMVCFRGSJH-QWHCGFSZSA-N 2 1 299.365 0.787 20 30 CCEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046926628 851646097 /nfs/dbraw/zinc/64/60/97/851646097.db2.gz UPEBJMVCFRGSJH-QWHCGFSZSA-N 2 1 299.365 0.787 20 30 CCEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046926628 851646108 /nfs/dbraw/zinc/64/61/08/851646108.db2.gz UPEBJMVCFRGSJH-QWHCGFSZSA-N 2 1 299.365 0.787 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001047595961 851831221 /nfs/dbraw/zinc/83/12/21/851831221.db2.gz LQVXGFDNRTYJNL-IHRRRGAJSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047595961 851831230 /nfs/dbraw/zinc/83/12/30/851831230.db2.gz LQVXGFDNRTYJNL-IHRRRGAJSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047595961 851831218 /nfs/dbraw/zinc/83/12/18/851831218.db2.gz LQVXGFDNRTYJNL-IHRRRGAJSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047628998 851840571 /nfs/dbraw/zinc/84/05/71/851840571.db2.gz OCMFNTDKGIOUSI-RDBSUJKOSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047628998 851840575 /nfs/dbraw/zinc/84/05/75/851840575.db2.gz OCMFNTDKGIOUSI-RDBSUJKOSA-N 2 1 281.400 0.018 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047628998 851840582 /nfs/dbraw/zinc/84/05/82/851840582.db2.gz OCMFNTDKGIOUSI-RDBSUJKOSA-N 2 1 281.400 0.018 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059192 852149605 /nfs/dbraw/zinc/14/96/05/852149605.db2.gz CLVOAUPTCSXQAI-LVQVYYBASA-N 2 1 289.423 0.598 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059192 852149611 /nfs/dbraw/zinc/14/96/11/852149611.db2.gz CLVOAUPTCSXQAI-LVQVYYBASA-N 2 1 289.423 0.598 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059192 852149613 /nfs/dbraw/zinc/14/96/13/852149613.db2.gz CLVOAUPTCSXQAI-LVQVYYBASA-N 2 1 289.423 0.598 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596819 852318735 /nfs/dbraw/zinc/31/87/35/852318735.db2.gz WMHUKCZUJHZKMK-HUUCEWRRSA-N 2 1 286.379 0.890 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596819 852318744 /nfs/dbraw/zinc/31/87/44/852318744.db2.gz WMHUKCZUJHZKMK-HUUCEWRRSA-N 2 1 286.379 0.890 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596817 852319168 /nfs/dbraw/zinc/31/91/68/852319168.db2.gz WMHUKCZUJHZKMK-CABCVRRESA-N 2 1 286.379 0.890 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596817 852319176 /nfs/dbraw/zinc/31/91/76/852319176.db2.gz WMHUKCZUJHZKMK-CABCVRRESA-N 2 1 286.379 0.890 20 30 CCEDMP C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C)CCO1)C2 ZINC001096911900 852465153 /nfs/dbraw/zinc/46/51/53/852465153.db2.gz RASVBQOTPUPZLH-MQYQWHSLSA-N 2 1 279.384 0.225 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]cn2)CC1 ZINC001052749179 852648844 /nfs/dbraw/zinc/64/88/44/852648844.db2.gz RRAYVWZXCMYEFL-CYBMUJFWSA-N 2 1 274.368 0.946 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cc2cnc[nH]2)CC1 ZINC001052749179 852648851 /nfs/dbraw/zinc/64/88/51/852648851.db2.gz RRAYVWZXCMYEFL-CYBMUJFWSA-N 2 1 274.368 0.946 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052386716 853743890 /nfs/dbraw/zinc/74/38/90/853743890.db2.gz QZWOMLHBPDJFIL-HZPDHXFCSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[NH+](CC=C)CCN1CCN([C@@H]2CC[N@H+](C)C2)CC1 ZINC001255441675 853961184 /nfs/dbraw/zinc/96/11/84/853961184.db2.gz QJUJCGWYQQNAIN-QGZVFWFLSA-N 2 1 292.471 0.982 20 30 CCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072578734 854420983 /nfs/dbraw/zinc/42/09/83/854420983.db2.gz OWZJJTWADDJQRM-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072578734 854420985 /nfs/dbraw/zinc/42/09/85/854420985.db2.gz OWZJJTWADDJQRM-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578734 854420988 /nfs/dbraw/zinc/42/09/88/854420988.db2.gz OWZJJTWADDJQRM-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072578734 854420990 /nfs/dbraw/zinc/42/09/90/854420990.db2.gz OWZJJTWADDJQRM-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001073431830 854557586 /nfs/dbraw/zinc/55/75/86/854557586.db2.gz JHWJNNXJWPWYSD-UHFFFAOYSA-N 2 1 274.368 0.912 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001073431830 854557588 /nfs/dbraw/zinc/55/75/88/854557588.db2.gz JHWJNNXJWPWYSD-UHFFFAOYSA-N 2 1 274.368 0.912 20 30 CCEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001098393805 854860698 /nfs/dbraw/zinc/86/06/98/854860698.db2.gz DDHQVGRSSXDZHY-YJNKXOJESA-N 2 1 275.396 0.683 20 30 CCEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001098393805 854860705 /nfs/dbraw/zinc/86/07/05/854860705.db2.gz DDHQVGRSSXDZHY-YJNKXOJESA-N 2 1 275.396 0.683 20 30 CCEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001098393805 854860710 /nfs/dbraw/zinc/86/07/10/854860710.db2.gz DDHQVGRSSXDZHY-YJNKXOJESA-N 2 1 275.396 0.683 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872516 855014324 /nfs/dbraw/zinc/01/43/24/855014324.db2.gz VIZKRIXLRUHEJB-KBPBESRZSA-N 2 1 293.411 0.045 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099898832 855024369 /nfs/dbraw/zinc/02/43/69/855024369.db2.gz INQWLCAZEBXSGG-STQMWFEESA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898832 855024374 /nfs/dbraw/zinc/02/43/74/855024374.db2.gz INQWLCAZEBXSGG-STQMWFEESA-N 2 1 283.416 0.454 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898832 855024381 /nfs/dbraw/zinc/02/43/81/855024381.db2.gz INQWLCAZEBXSGG-STQMWFEESA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971681 855056177 /nfs/dbraw/zinc/05/61/77/855056177.db2.gz LAMQKQDQQJQDHR-UONOGXRCSA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100079962 855094284 /nfs/dbraw/zinc/09/42/84/855094284.db2.gz BFBFZUZHUUIZPZ-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100079962 855094293 /nfs/dbraw/zinc/09/42/93/855094293.db2.gz BFBFZUZHUUIZPZ-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100079962 855094302 /nfs/dbraw/zinc/09/43/02/855094302.db2.gz BFBFZUZHUUIZPZ-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081612 855095171 /nfs/dbraw/zinc/09/51/71/855095171.db2.gz VNDLIOMGIAQNJR-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100125333 855101577 /nfs/dbraw/zinc/10/15/77/855101577.db2.gz WETMYWOPMHUNEE-GJZGRUSLSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100125333 855101582 /nfs/dbraw/zinc/10/15/82/855101582.db2.gz WETMYWOPMHUNEE-GJZGRUSLSA-N 2 1 293.411 0.047 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)C[N@H+](C)CCC)C1 ZINC001100905049 855238483 /nfs/dbraw/zinc/23/84/83/855238483.db2.gz TYNWSIOILGACIR-UHFFFAOYSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115039594 855636965 /nfs/dbraw/zinc/63/69/65/855636965.db2.gz XOIOUEYLEAWHAZ-FOLVSLTJSA-N 2 1 293.411 0.330 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001324262289 912747346 /nfs/dbraw/zinc/74/73/46/912747346.db2.gz WSZSDIQYIYNCBZ-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001324668418 912973005 /nfs/dbraw/zinc/97/30/05/912973005.db2.gz FSLVZWZVGXTLQP-HNNXBMFYSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001324668418 912973016 /nfs/dbraw/zinc/97/30/16/912973016.db2.gz FSLVZWZVGXTLQP-HNNXBMFYSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001324668418 912973026 /nfs/dbraw/zinc/97/30/26/912973026.db2.gz FSLVZWZVGXTLQP-HNNXBMFYSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001481317045 892570980 /nfs/dbraw/zinc/57/09/80/892570980.db2.gz XZCRPDYFVSFECI-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001481317045 892570988 /nfs/dbraw/zinc/57/09/88/892570988.db2.gz XZCRPDYFVSFECI-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001284515212 893596243 /nfs/dbraw/zinc/59/62/43/893596243.db2.gz BFRLEHQLSHLDHY-HUUCEWRRSA-N 2 1 295.427 0.103 20 30 CCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001284515212 893596255 /nfs/dbraw/zinc/59/62/55/893596255.db2.gz BFRLEHQLSHLDHY-HUUCEWRRSA-N 2 1 295.427 0.103 20 30 CCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001284515212 893596261 /nfs/dbraw/zinc/59/62/61/893596261.db2.gz BFRLEHQLSHLDHY-HUUCEWRRSA-N 2 1 295.427 0.103 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001482220379 893597116 /nfs/dbraw/zinc/59/71/16/893597116.db2.gz WULKNBLKRLCEKC-ZIAGYGMSSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001482433547 893978947 /nfs/dbraw/zinc/97/89/47/893978947.db2.gz KUJZZQRWHYZPLH-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC ZINC001483019471 894808721 /nfs/dbraw/zinc/80/87/21/894808721.db2.gz KBWLGOLVIKTHBU-GJBLVYBDSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC ZINC001483019471 894808727 /nfs/dbraw/zinc/80/87/27/894808727.db2.gz KBWLGOLVIKTHBU-GJBLVYBDSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001483340202 895480454 /nfs/dbraw/zinc/48/04/54/895480454.db2.gz PCHBFHJNXSGRFV-HZSPNIEDSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001483340202 895480462 /nfs/dbraw/zinc/48/04/62/895480462.db2.gz PCHBFHJNXSGRFV-HZSPNIEDSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001483340202 895480468 /nfs/dbraw/zinc/48/04/68/895480468.db2.gz PCHBFHJNXSGRFV-HZSPNIEDSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001483598986 895673246 /nfs/dbraw/zinc/67/32/46/895673246.db2.gz PAMJHKBTVLRDFS-DZGCQCFKSA-N 2 1 277.412 0.836 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001485000266 896704577 /nfs/dbraw/zinc/70/45/77/896704577.db2.gz WGMOFCQQIQOLBZ-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001485216050 896858583 /nfs/dbraw/zinc/85/85/83/896858583.db2.gz NEVURDHDGJQJJR-CHWSQXEVSA-N 2 1 253.390 0.834 20 30 CCEDMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485471183 897065794 /nfs/dbraw/zinc/06/57/94/897065794.db2.gz DLJPJKFOTFBSEB-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001485532483 897113535 /nfs/dbraw/zinc/11/35/35/897113535.db2.gz HJNZZDFZSHIDFT-QWHCGFSZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCN1CC([C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001485532483 897113529 /nfs/dbraw/zinc/11/35/29/897113529.db2.gz HJNZZDFZSHIDFT-QWHCGFSZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001485532483 897113541 /nfs/dbraw/zinc/11/35/41/897113541.db2.gz HJNZZDFZSHIDFT-QWHCGFSZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032444096 897579115 /nfs/dbraw/zinc/57/91/15/897579115.db2.gz KOPBHRJMYLSLPP-KBPBESRZSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032444096 897579122 /nfs/dbraw/zinc/57/91/22/897579122.db2.gz KOPBHRJMYLSLPP-KBPBESRZSA-N 2 1 275.396 0.779 20 30 CCEDMP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001032588291 897781624 /nfs/dbraw/zinc/78/16/24/897781624.db2.gz OCCDVKWKEIJIKK-SOUVJXGZSA-N 2 1 293.411 0.567 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414339 897907786 /nfs/dbraw/zinc/90/77/86/897907786.db2.gz JNAVYCZAOGLRIU-ZIAGYGMSSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414339 897907806 /nfs/dbraw/zinc/90/78/06/897907806.db2.gz JNAVYCZAOGLRIU-ZIAGYGMSSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414339 897907819 /nfs/dbraw/zinc/90/78/19/897907819.db2.gz JNAVYCZAOGLRIU-ZIAGYGMSSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414339 897907835 /nfs/dbraw/zinc/90/78/35/897907835.db2.gz JNAVYCZAOGLRIU-ZIAGYGMSSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CCO1 ZINC001327063862 914349590 /nfs/dbraw/zinc/34/95/90/914349590.db2.gz KAPQIEOLJDXKIN-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390122 900012378 /nfs/dbraw/zinc/01/23/78/900012378.db2.gz NHHRDIOFEBPRPG-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189390122 900012391 /nfs/dbraw/zinc/01/23/91/900012391.db2.gz NHHRDIOFEBPRPG-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189390122 900012401 /nfs/dbraw/zinc/01/24/01/900012401.db2.gz NHHRDIOFEBPRPG-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001488794089 900391632 /nfs/dbraw/zinc/39/16/32/900391632.db2.gz LTYFZRZAWRECKE-BETUJISGSA-N 2 1 262.357 0.862 20 30 CCEDMP CC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490164471 900547072 /nfs/dbraw/zinc/54/70/72/900547072.db2.gz LUBVZPBYFQVBIR-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001490164471 900547079 /nfs/dbraw/zinc/54/70/79/900547079.db2.gz LUBVZPBYFQVBIR-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001490164471 900547086 /nfs/dbraw/zinc/54/70/86/900547086.db2.gz LUBVZPBYFQVBIR-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001280857246 903898766 /nfs/dbraw/zinc/89/87/66/903898766.db2.gz RBZQOLAWJUZGEM-UHFFFAOYSA-N 2 1 265.401 0.742 20 30 CCEDMP C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001280803395 904156614 /nfs/dbraw/zinc/15/66/14/904156614.db2.gz WRODIZCTFRRTJN-CYBMUJFWSA-N 2 1 269.389 0.283 20 30 CCEDMP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001280803395 904156621 /nfs/dbraw/zinc/15/66/21/904156621.db2.gz WRODIZCTFRRTJN-CYBMUJFWSA-N 2 1 269.389 0.283 20 30 CCEDMP C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001280803395 904156627 /nfs/dbraw/zinc/15/66/27/904156627.db2.gz WRODIZCTFRRTJN-CYBMUJFWSA-N 2 1 269.389 0.283 20 30 CCEDMP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001280803395 904156635 /nfs/dbraw/zinc/15/66/35/904156635.db2.gz WRODIZCTFRRTJN-CYBMUJFWSA-N 2 1 269.389 0.283 20 30 CCEDMP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001280803395 904156643 /nfs/dbraw/zinc/15/66/43/904156643.db2.gz WRODIZCTFRRTJN-CYBMUJFWSA-N 2 1 269.389 0.283 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001316611348 904294562 /nfs/dbraw/zinc/29/45/62/904294562.db2.gz ZUGXVGODRSVYFW-ZDUSSCGKSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001316611348 904294575 /nfs/dbraw/zinc/29/45/75/904294575.db2.gz ZUGXVGODRSVYFW-ZDUSSCGKSA-N 2 1 251.374 0.801 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001282412976 904470002 /nfs/dbraw/zinc/47/00/02/904470002.db2.gz OTHAOCHKUVQDNX-LSDHHAIUSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001282412976 904470011 /nfs/dbraw/zinc/47/00/11/904470011.db2.gz OTHAOCHKUVQDNX-LSDHHAIUSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001282412976 904470016 /nfs/dbraw/zinc/47/00/16/904470016.db2.gz OTHAOCHKUVQDNX-LSDHHAIUSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001282832545 904546729 /nfs/dbraw/zinc/54/67/29/904546729.db2.gz KRSANKRTRIXWSU-CYBMUJFWSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001282832545 904546740 /nfs/dbraw/zinc/54/67/40/904546740.db2.gz KRSANKRTRIXWSU-CYBMUJFWSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001282832545 904546746 /nfs/dbraw/zinc/54/67/46/904546746.db2.gz KRSANKRTRIXWSU-CYBMUJFWSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283556059 904906059 /nfs/dbraw/zinc/90/60/59/904906059.db2.gz KDGMGDCCOMJGCN-LSDHHAIUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001284479718 905312674 /nfs/dbraw/zinc/31/26/74/905312674.db2.gz ZMHUYRAFPUNFMU-GJZGRUSLSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CCOC ZINC001284669313 905415958 /nfs/dbraw/zinc/41/59/58/905415958.db2.gz VLOBQAHCYDQKDA-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CCOC ZINC001284669313 905415969 /nfs/dbraw/zinc/41/59/69/905415969.db2.gz VLOBQAHCYDQKDA-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC001341643066 908643166 /nfs/dbraw/zinc/64/31/66/908643166.db2.gz LGJMZUZLLHXZFP-RWMBFGLXSA-N 2 1 264.373 0.335 20 30 CCEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317010307 908915688 /nfs/dbraw/zinc/91/56/88/908915688.db2.gz DMYQJJSTKVWRLH-HUUCEWRRSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317010307 908915708 /nfs/dbraw/zinc/91/57/08/908915708.db2.gz DMYQJJSTKVWRLH-HUUCEWRRSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001317162126 909023224 /nfs/dbraw/zinc/02/32/24/909023224.db2.gz MEJYNGKPAAWYCE-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001319902041 910340956 /nfs/dbraw/zinc/34/09/56/910340956.db2.gz CVYNHEJIGLTSCO-KGLIPLIRSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001323001626 912063529 /nfs/dbraw/zinc/06/35/29/912063529.db2.gz ZGYGYBJMRYRMDZ-BPLDGKMQSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001323014916 912070682 /nfs/dbraw/zinc/07/06/82/912070682.db2.gz LLUHUILEQFRLNQ-AWEZNQCLSA-N 2 1 263.385 0.588 20 30 CCEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1cncn1C ZINC001328779016 915427979 /nfs/dbraw/zinc/42/79/79/915427979.db2.gz DOEHTQHQYCVFAH-CQSZACIVSA-N 2 1 288.395 0.909 20 30 CCEDMP CC#CCN(C)C[C@H]1CCCN1C(=O)Cc1cncn1C ZINC001328779016 915427990 /nfs/dbraw/zinc/42/79/90/915427990.db2.gz DOEHTQHQYCVFAH-CQSZACIVSA-N 2 1 288.395 0.909 20 30 CCEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1cncn1C ZINC001328779014 915429538 /nfs/dbraw/zinc/42/95/38/915429538.db2.gz DOEHTQHQYCVFAH-AWEZNQCLSA-N 2 1 288.395 0.909 20 30 CCEDMP CC#CCN(C)C[C@@H]1CCCN1C(=O)Cc1cncn1C ZINC001328779014 915429546 /nfs/dbraw/zinc/42/95/46/915429546.db2.gz DOEHTQHQYCVFAH-AWEZNQCLSA-N 2 1 288.395 0.909 20 30 CCEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001331337885 917274192 /nfs/dbraw/zinc/27/41/92/917274192.db2.gz FLISRDRBCXSFQY-HNNXBMFYSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001331927432 917722777 /nfs/dbraw/zinc/72/27/77/917722777.db2.gz BHIZGTLLOYKAHE-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001332528999 918257709 /nfs/dbraw/zinc/25/77/09/918257709.db2.gz LAMIGGDGARUJEO-LSDHHAIUSA-N 2 1 297.443 0.846 20 30 CCEDMP Cc1cc(NC(=O)NCC#CC[NH+](C)C)cc(C)[nH+]1 ZINC001333512134 918963815 /nfs/dbraw/zinc/96/38/15/918963815.db2.gz UPASYISZBICFAG-UHFFFAOYSA-N 2 1 260.341 0.807 20 30 CCEDMP C=CC[C@]1(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CCC[NH2+]1 ZINC001341940193 922730350 /nfs/dbraw/zinc/73/03/50/922730350.db2.gz CUXXZKLTQUFRPD-IJEWVQPXSA-N 2 1 294.443 0.435 20 30 CCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001479680360 923397784 /nfs/dbraw/zinc/39/77/84/923397784.db2.gz SUFCVSYVNRZNFQ-OAHLLOKOSA-N 2 1 295.427 0.368 20 30 CCEDMP C#CC[NH+](C)CCOCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001479680360 923397794 /nfs/dbraw/zinc/39/77/94/923397794.db2.gz SUFCVSYVNRZNFQ-OAHLLOKOSA-N 2 1 295.427 0.368 20 30 CCEDMP C#CC[NH+](C)CCOCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001479680360 923397808 /nfs/dbraw/zinc/39/78/08/923397808.db2.gz SUFCVSYVNRZNFQ-OAHLLOKOSA-N 2 1 295.427 0.368 20 30 CCEDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000602877844 362858332 /nfs/dbraw/zinc/85/83/32/362858332.db2.gz SNHGIXPKFHWUON-HIFRSBDPSA-N 2 1 281.400 0.430 20 30 CCEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000602877844 362858335 /nfs/dbraw/zinc/85/83/35/362858335.db2.gz SNHGIXPKFHWUON-HIFRSBDPSA-N 2 1 281.400 0.430 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000603430789 363130041 /nfs/dbraw/zinc/13/00/41/363130041.db2.gz CXVKPILFVCVJNP-GUBZILKMSA-N 2 1 268.361 0.102 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000592955874 359995001 /nfs/dbraw/zinc/99/50/01/359995001.db2.gz PKPGMVJTFJBKLI-ZIAGYGMSSA-N 2 1 294.399 0.331 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594445914 360312642 /nfs/dbraw/zinc/31/26/42/360312642.db2.gz NJAOKURLLKZLCN-STQMWFEESA-N 2 1 266.389 0.998 20 30 CCEDMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595938343 360715582 /nfs/dbraw/zinc/71/55/82/360715582.db2.gz OOOMWOPPEITYOO-NEPJUHHUSA-N 2 1 266.389 0.997 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH2+]CCC ZINC000491787441 332349792 /nfs/dbraw/zinc/34/97/92/332349792.db2.gz QMXJKLHJYRHNSX-UHFFFAOYSA-N 2 1 254.378 0.240 20 30 CCEDMP CCN(CC)C(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000303871356 389080826 /nfs/dbraw/zinc/08/08/26/389080826.db2.gz FVEDKGRZLLYYGU-UHFFFAOYSA-N 2 1 255.410 0.280 20 30 CCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123808166 389158251 /nfs/dbraw/zinc/15/82/51/389158251.db2.gz QKTUTEQMKWWGQA-ZDUSSCGKSA-N 2 1 276.384 0.977 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123808166 389158255 /nfs/dbraw/zinc/15/82/55/389158255.db2.gz QKTUTEQMKWWGQA-ZDUSSCGKSA-N 2 1 276.384 0.977 20 30 CCEDMP C=C(C)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364726778 389272814 /nfs/dbraw/zinc/27/28/14/389272814.db2.gz YQBWOCAAHFSUQQ-UHFFFAOYSA-N 2 1 254.374 0.722 20 30 CCEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N(C)C)cn1 ZINC000170912489 389468291 /nfs/dbraw/zinc/46/82/91/389468291.db2.gz ZXCVDAMDCNBRBI-UHFFFAOYSA-N 2 1 258.329 0.952 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430600868 389811397 /nfs/dbraw/zinc/81/13/97/389811397.db2.gz YYPPXYSPGKUAMR-JTQLQIEISA-N 2 1 270.377 0.303 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430600868 389811399 /nfs/dbraw/zinc/81/13/99/389811399.db2.gz YYPPXYSPGKUAMR-JTQLQIEISA-N 2 1 270.377 0.303 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000420303298 389980815 /nfs/dbraw/zinc/98/08/15/389980815.db2.gz CRJHYQVIQBAGMM-STQMWFEESA-N 2 1 251.374 0.834 20 30 CCEDMP Cc1[nH+]ccn1CC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000535740307 390150533 /nfs/dbraw/zinc/15/05/33/390150533.db2.gz NQDVCWAOQGMFPJ-UHFFFAOYSA-N 2 1 287.371 0.763 20 30 CCEDMP Cc1[nH+]ccn1CC[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000535740307 390150534 /nfs/dbraw/zinc/15/05/34/390150534.db2.gz NQDVCWAOQGMFPJ-UHFFFAOYSA-N 2 1 287.371 0.763 20 30 CCEDMP C=CC[NH+]1CCC(NC[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000567680327 390710656 /nfs/dbraw/zinc/71/06/56/390710656.db2.gz WDYHSMHWWSQQNN-OAHLLOKOSA-N 2 1 267.417 0.682 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345418 412033830 /nfs/dbraw/zinc/03/38/30/412033830.db2.gz BHYAFSVFLPRRHF-MJBXVCDLSA-N 2 1 281.400 0.507 20 30 CCEDMP C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326411 414710151 /nfs/dbraw/zinc/71/01/51/414710151.db2.gz ZBYWWUUTTHYMNM-KBPBESRZSA-N 2 1 256.390 0.966 20 30 CCEDMP C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326411 414710152 /nfs/dbraw/zinc/71/01/52/414710152.db2.gz ZBYWWUUTTHYMNM-KBPBESRZSA-N 2 1 256.390 0.966 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000491810873 262086910 /nfs/dbraw/zinc/08/69/10/262086910.db2.gz ALXVMGJNAYIXQA-STQMWFEESA-N 2 1 266.389 0.320 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342113908 263388999 /nfs/dbraw/zinc/38/89/99/263388999.db2.gz WCTKMHDKEIURBT-WUHRBBMRSA-N 2 1 294.399 0.446 20 30 CCEDMP C=CCC[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000367886412 267124498 /nfs/dbraw/zinc/12/44/98/267124498.db2.gz PJGWKFFQCDDYOR-OAHLLOKOSA-N 2 1 298.427 0.473 20 30 CCEDMP C[C@@H]1COCC[NH+](CC#CC[N@H+]2CCOC[C@@H](C)C2)C1 ZINC000367063523 288334264 /nfs/dbraw/zinc/33/42/64/288334264.db2.gz XBOUVHWSEXZGGD-HOTGVXAUSA-N 2 1 280.412 0.926 20 30 CCEDMP C[C@@H]1COCC[NH+](CC#CC[N@@H+]2CCOC[C@@H](C)C2)C1 ZINC000367063523 288334268 /nfs/dbraw/zinc/33/42/68/288334268.db2.gz XBOUVHWSEXZGGD-HOTGVXAUSA-N 2 1 280.412 0.926 20 30 CCEDMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000582780580 329184161 /nfs/dbraw/zinc/18/41/61/329184161.db2.gz XDVOFEDYRIYCJW-AWEZNQCLSA-N 2 1 279.388 0.378 20 30 CCEDMP C[C@H]1CN(C(=[NH2+])NC[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000262438558 330012898 /nfs/dbraw/zinc/01/28/98/330012898.db2.gz GXZTVWZAXVCLKN-NWDGAFQWSA-N 2 1 266.389 0.506 20 30 CCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262505426 330018549 /nfs/dbraw/zinc/01/85/49/330018549.db2.gz ZTLNMUVWQIXOMD-CHWSQXEVSA-N 2 1 284.404 0.133 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1=CCOCC1 ZINC000263135912 330045256 /nfs/dbraw/zinc/04/52/56/330045256.db2.gz NPFYSPDIIUEXJN-ZDUSSCGKSA-N 2 1 266.389 0.722 20 30 CCEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+](C)C1CC1 ZINC000424160826 330306294 /nfs/dbraw/zinc/30/62/94/330306294.db2.gz VBLDVEZUAHKOIZ-PWSUYJOCSA-N 2 1 252.362 0.606 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000490897873 332126747 /nfs/dbraw/zinc/12/67/47/332126747.db2.gz GHGQNBRKSVXRPP-UONOGXRCSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[NH+](C)CC1 ZINC000491430933 332210526 /nfs/dbraw/zinc/21/05/26/332210526.db2.gz ZRGVEFAOSMKBAU-UHFFFAOYSA-N 2 1 266.389 0.289 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[N@H+](C)CC1 ZINC000491430933 332210528 /nfs/dbraw/zinc/21/05/28/332210528.db2.gz ZRGVEFAOSMKBAU-UHFFFAOYSA-N 2 1 266.389 0.289 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[N@@H+](C)CC1 ZINC000491430933 332210530 /nfs/dbraw/zinc/21/05/30/332210530.db2.gz ZRGVEFAOSMKBAU-UHFFFAOYSA-N 2 1 266.389 0.289 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000491464791 332216827 /nfs/dbraw/zinc/21/68/27/332216827.db2.gz TXEYBEQZAIEAJY-KBPBESRZSA-N 2 1 280.416 0.758 20 30 CCEDMP C#CC[N@H+](C)CCCNC(NCc1ccco1)=[NH+]C ZINC000491628269 332251521 /nfs/dbraw/zinc/25/15/21/332251521.db2.gz LVNKFVIEHXOHKQ-UHFFFAOYSA-N 2 1 262.357 0.900 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000491726028 332309682 /nfs/dbraw/zinc/30/96/82/332309682.db2.gz CMYOQRBZYKMSPJ-CQSZACIVSA-N 2 1 288.395 0.825 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000491726028 332309683 /nfs/dbraw/zinc/30/96/83/332309683.db2.gz CMYOQRBZYKMSPJ-CQSZACIVSA-N 2 1 288.395 0.825 20 30 CCEDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000516762103 333082052 /nfs/dbraw/zinc/08/20/52/333082052.db2.gz UNGJNOWIKLXZPH-JKSUJKDBSA-N 2 1 296.459 0.760 20 30 CCEDMP C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1N=NC(N)=[NH2+] ZINC000734363349 581557428 /nfs/dbraw/zinc/55/74/28/581557428.db2.gz ZAVLIIPHMUHPFB-SNVBAGLBSA-N 2 1 260.345 0.762 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754464603 581593068 /nfs/dbraw/zinc/59/30/68/581593068.db2.gz RGBPRBDGGZVXHY-KBPBESRZSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464603 581593073 /nfs/dbraw/zinc/59/30/73/581593073.db2.gz RGBPRBDGGZVXHY-KBPBESRZSA-N 2 1 277.412 0.978 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000774100605 581959785 /nfs/dbraw/zinc/95/97/85/581959785.db2.gz KCYVEYVMYUXAFU-CYBMUJFWSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000764585275 582057148 /nfs/dbraw/zinc/05/71/48/582057148.db2.gz HKFYMSMBAGSTLH-UHFFFAOYSA-N 2 1 283.416 0.673 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743339 612949905 /nfs/dbraw/zinc/94/99/05/612949905.db2.gz DJTSKLJHSURNIW-AWEZNQCLSA-N 2 1 286.379 0.732 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CC#C)C2)C1 ZINC000963960769 612954447 /nfs/dbraw/zinc/95/44/47/612954447.db2.gz HYJQNJKRHMUDOX-HVEGKCCWSA-N 2 1 299.418 0.734 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CC#C)C2)C1 ZINC000963960769 612954448 /nfs/dbraw/zinc/95/44/48/612954448.db2.gz HYJQNJKRHMUDOX-HVEGKCCWSA-N 2 1 299.418 0.734 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1([NH3+])CCCC1 ZINC000851660839 613075512 /nfs/dbraw/zinc/07/55/12/613075512.db2.gz AELMHVWNXPLRPV-UHFFFAOYSA-N 2 1 266.389 0.512 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905276628 613079039 /nfs/dbraw/zinc/07/90/39/613079039.db2.gz ZFEMFHNFRVXNCV-CQSZACIVSA-N 2 1 268.401 0.587 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905276628 613079040 /nfs/dbraw/zinc/07/90/40/613079040.db2.gz ZFEMFHNFRVXNCV-CQSZACIVSA-N 2 1 268.401 0.587 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000815652392 613078630 /nfs/dbraw/zinc/07/86/30/613078630.db2.gz AHPWOKGAFLUJTL-UHFFFAOYSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000815652392 613078632 /nfs/dbraw/zinc/07/86/32/613078632.db2.gz AHPWOKGAFLUJTL-UHFFFAOYSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972629602 613089756 /nfs/dbraw/zinc/08/97/56/613089756.db2.gz WUENKNLOYHAWGO-AWEZNQCLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCN(CC)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000820067598 613105733 /nfs/dbraw/zinc/10/57/33/613105733.db2.gz AFFHZZSLFKTHOV-AWEZNQCLSA-N 2 1 282.432 0.923 20 30 CCEDMP C#CCN(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000820067598 613105735 /nfs/dbraw/zinc/10/57/35/613105735.db2.gz AFFHZZSLFKTHOV-AWEZNQCLSA-N 2 1 282.432 0.923 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269972 613178329 /nfs/dbraw/zinc/17/83/29/613178329.db2.gz SLQTXDUQRFOQNH-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269972 613178331 /nfs/dbraw/zinc/17/83/31/613178331.db2.gz SLQTXDUQRFOQNH-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000948269972 613178332 /nfs/dbraw/zinc/17/83/32/613178332.db2.gz SLQTXDUQRFOQNH-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269972 613178334 /nfs/dbraw/zinc/17/83/34/613178334.db2.gz SLQTXDUQRFOQNH-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C)CC2)C1 ZINC000884195541 613184746 /nfs/dbraw/zinc/18/47/46/613184746.db2.gz PXMYTSOFUBGXPK-AWEZNQCLSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C)CC2)C1 ZINC000884195541 613184747 /nfs/dbraw/zinc/18/47/47/613184747.db2.gz PXMYTSOFUBGXPK-AWEZNQCLSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CC)C1 ZINC000884041057 613185732 /nfs/dbraw/zinc/18/57/32/613185732.db2.gz LBZPHCDLMMRPOS-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CC)C1 ZINC000884041057 613185734 /nfs/dbraw/zinc/18/57/34/613185734.db2.gz LBZPHCDLMMRPOS-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CC)C1 ZINC000884041057 613185736 /nfs/dbraw/zinc/18/57/36/613185736.db2.gz LBZPHCDLMMRPOS-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CC)C1 ZINC000884041057 613185738 /nfs/dbraw/zinc/18/57/38/613185738.db2.gz LBZPHCDLMMRPOS-GJZGRUSLSA-N 2 1 292.427 0.868 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972550527 613283591 /nfs/dbraw/zinc/28/35/91/613283591.db2.gz BZSRZGXYVWGRNI-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972550527 613283592 /nfs/dbraw/zinc/28/35/92/613283592.db2.gz BZSRZGXYVWGRNI-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000961561890 613315320 /nfs/dbraw/zinc/31/53/20/613315320.db2.gz XQNPVTJOENBWMQ-WCVJEAGWSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000961561890 613315322 /nfs/dbraw/zinc/31/53/22/613315322.db2.gz XQNPVTJOENBWMQ-WCVJEAGWSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000961561890 613315323 /nfs/dbraw/zinc/31/53/23/613315323.db2.gz XQNPVTJOENBWMQ-WCVJEAGWSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887135049 613325018 /nfs/dbraw/zinc/32/50/18/613325018.db2.gz VLDOEMONSBWBMG-CQSZACIVSA-N 2 1 286.379 0.732 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000969704535 613348826 /nfs/dbraw/zinc/34/88/26/613348826.db2.gz AMIZTJNYKXSURU-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000969704535 613348827 /nfs/dbraw/zinc/34/88/27/613348827.db2.gz AMIZTJNYKXSURU-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CCOC)CC1(C)C ZINC000846564565 613366113 /nfs/dbraw/zinc/36/61/13/613366113.db2.gz ZFGZLCKGKPPWPE-UHFFFAOYSA-N 2 1 283.416 0.673 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889755050 613366225 /nfs/dbraw/zinc/36/62/25/613366225.db2.gz CXBFLAOAWSJNDG-KGLIPLIRSA-N 2 1 281.400 0.162 20 30 CCEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972992473 613554575 /nfs/dbraw/zinc/55/45/75/613554575.db2.gz RSTIQSQUUXUBFW-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972992473 613554576 /nfs/dbraw/zinc/55/45/76/613554576.db2.gz RSTIQSQUUXUBFW-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992473 613554577 /nfs/dbraw/zinc/55/45/77/613554577.db2.gz RSTIQSQUUXUBFW-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992473 613554578 /nfs/dbraw/zinc/55/45/78/613554578.db2.gz RSTIQSQUUXUBFW-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000971948080 613614187 /nfs/dbraw/zinc/61/41/87/613614187.db2.gz YPIINCTUVINCLR-CYBMUJFWSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000971948080 613614189 /nfs/dbraw/zinc/61/41/89/613614189.db2.gz YPIINCTUVINCLR-CYBMUJFWSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000972172265 613618112 /nfs/dbraw/zinc/61/81/12/613618112.db2.gz LWGLJTALVIMPFR-HUUCEWRRSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000972172265 613618114 /nfs/dbraw/zinc/61/81/14/613618114.db2.gz LWGLJTALVIMPFR-HUUCEWRRSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972172265 613618116 /nfs/dbraw/zinc/61/81/16/613618116.db2.gz LWGLJTALVIMPFR-HUUCEWRRSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972172265 613618118 /nfs/dbraw/zinc/61/81/18/613618118.db2.gz LWGLJTALVIMPFR-HUUCEWRRSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000981686122 613680440 /nfs/dbraw/zinc/68/04/40/613680440.db2.gz JKDWBOLCCNSJGU-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981686122 613680442 /nfs/dbraw/zinc/68/04/42/613680442.db2.gz JKDWBOLCCNSJGU-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686122 613680446 /nfs/dbraw/zinc/68/04/46/613680446.db2.gz JKDWBOLCCNSJGU-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686122 613680450 /nfs/dbraw/zinc/68/04/50/613680450.db2.gz JKDWBOLCCNSJGU-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000960584630 613838702 /nfs/dbraw/zinc/83/87/02/613838702.db2.gz ZBIJXDBPRRTQME-RFQIPJPRSA-N 2 1 263.385 0.703 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC000960584630 613838703 /nfs/dbraw/zinc/83/87/03/613838703.db2.gz ZBIJXDBPRRTQME-RFQIPJPRSA-N 2 1 263.385 0.703 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC000960584630 613838704 /nfs/dbraw/zinc/83/87/04/613838704.db2.gz ZBIJXDBPRRTQME-RFQIPJPRSA-N 2 1 263.385 0.703 20 30 CCEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000857235516 614288557 /nfs/dbraw/zinc/28/85/57/614288557.db2.gz UGLVOQVXVIIBLL-IHRRRGAJSA-N 2 1 281.400 0.740 20 30 CCEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000857235516 614288559 /nfs/dbraw/zinc/28/85/59/614288559.db2.gz UGLVOQVXVIIBLL-IHRRRGAJSA-N 2 1 281.400 0.740 20 30 CCEDMP CCNC(NCCN1CC[N@@H+](C)C(C)(C)C1)=[NH+]CC ZINC000849026505 614420542 /nfs/dbraw/zinc/42/05/42/614420542.db2.gz GTCQHHYBYMEGLV-UHFFFAOYSA-N 2 1 269.437 0.587 20 30 CCEDMP CCNC(N[C@H]1CC[N@@H+](CC(C)(C)O)C1)=[NH+]CC ZINC000864358263 614420984 /nfs/dbraw/zinc/42/09/84/614420984.db2.gz QQEFJKMLNSREPI-NSHDSACASA-N 2 1 256.394 0.407 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000104153673 615144231 /nfs/dbraw/zinc/14/42/31/615144231.db2.gz QDYPCWDEQIOAEA-ZDUSSCGKSA-N 3 1 283.464 0.963 20 30 CCEDMP C[N@@H+](CCOCC[NH3+])C[C@H](O)COc1ccc(C#N)cc1 ZINC000923403419 616115953 /nfs/dbraw/zinc/11/59/53/616115953.db2.gz PNSWGIGLUKTGMN-AWEZNQCLSA-N 2 1 293.367 0.205 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001026044901 625324517 /nfs/dbraw/zinc/32/45/17/625324517.db2.gz UPCBNYGPLCWIAU-SEBNEYGDSA-N 2 1 275.396 0.254 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026044901 625324522 /nfs/dbraw/zinc/32/45/22/625324522.db2.gz UPCBNYGPLCWIAU-SEBNEYGDSA-N 2 1 275.396 0.254 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026044901 625324530 /nfs/dbraw/zinc/32/45/30/625324530.db2.gz UPCBNYGPLCWIAU-SEBNEYGDSA-N 2 1 275.396 0.254 20 30 CCEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001026608846 625479845 /nfs/dbraw/zinc/47/98/45/625479845.db2.gz LVWQDPCBTTWELM-NRXISQOPSA-N 2 1 293.411 0.357 20 30 CCEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001026608846 625479846 /nfs/dbraw/zinc/47/98/46/625479846.db2.gz LVWQDPCBTTWELM-NRXISQOPSA-N 2 1 293.411 0.357 20 30 CCEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000195523092 625620811 /nfs/dbraw/zinc/62/08/11/625620811.db2.gz NGACMPMYRZBVDV-STQMWFEESA-N 2 1 268.405 0.802 20 30 CCEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023744206 623124900 /nfs/dbraw/zinc/12/49/00/623124900.db2.gz KNWHZJYJPWLECB-ZIAGYGMSSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023744206 623124906 /nfs/dbraw/zinc/12/49/06/623124906.db2.gz KNWHZJYJPWLECB-ZIAGYGMSSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023744206 623124921 /nfs/dbraw/zinc/12/49/21/623124921.db2.gz KNWHZJYJPWLECB-ZIAGYGMSSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023756670 623133097 /nfs/dbraw/zinc/13/30/97/623133097.db2.gz ZEXGYSWFDUBPBY-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023756670 623133099 /nfs/dbraw/zinc/13/30/99/623133099.db2.gz ZEXGYSWFDUBPBY-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023756670 623133107 /nfs/dbraw/zinc/13/31/07/623133107.db2.gz ZEXGYSWFDUBPBY-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023756670 623133111 /nfs/dbraw/zinc/13/31/11/623133111.db2.gz ZEXGYSWFDUBPBY-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001024801296 623447584 /nfs/dbraw/zinc/44/75/84/623447584.db2.gz MFNCPALKQMANPP-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001024801296 623447586 /nfs/dbraw/zinc/44/75/86/623447586.db2.gz MFNCPALKQMANPP-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000170908008 623813046 /nfs/dbraw/zinc/81/30/46/623813046.db2.gz ZGWIZVSUTQJJRY-ZDUSSCGKSA-N 2 1 268.405 0.824 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001025818576 623889320 /nfs/dbraw/zinc/88/93/20/623889320.db2.gz QHRSOOKWMBCTBO-AALSBFMBSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001025818576 623889323 /nfs/dbraw/zinc/88/93/23/623889323.db2.gz QHRSOOKWMBCTBO-AALSBFMBSA-N 2 1 287.407 0.683 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001020585195 624542919 /nfs/dbraw/zinc/54/29/19/624542919.db2.gz LLYWOVHPYDYPPE-JHJVBQTASA-N 2 1 251.374 0.894 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001022290802 624911375 /nfs/dbraw/zinc/91/13/75/624911375.db2.gz QDAPKHDJSLBZSG-XQQFMLRXSA-N 2 1 251.374 0.894 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027346073 625842807 /nfs/dbraw/zinc/84/28/07/625842807.db2.gz CQOPALLZBRITFY-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027346073 625842808 /nfs/dbraw/zinc/84/28/08/625842808.db2.gz CQOPALLZBRITFY-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001027346073 625842809 /nfs/dbraw/zinc/84/28/09/625842809.db2.gz CQOPALLZBRITFY-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001027346073 625842810 /nfs/dbraw/zinc/84/28/10/625842810.db2.gz CQOPALLZBRITFY-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001027682886 630851038 /nfs/dbraw/zinc/85/10/38/630851038.db2.gz YUNQHFVJFRWOJX-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001027682886 630851042 /nfs/dbraw/zinc/85/10/42/630851042.db2.gz YUNQHFVJFRWOJX-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007343393 650075478 /nfs/dbraw/zinc/07/54/78/650075478.db2.gz AJCAMONFRQJHGU-CABCVRRESA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007343393 650075480 /nfs/dbraw/zinc/07/54/80/650075480.db2.gz AJCAMONFRQJHGU-CABCVRRESA-N 2 1 275.396 0.542 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC000986567107 632772705 /nfs/dbraw/zinc/77/27/05/632772705.db2.gz PVBOGHBJWURVKU-STQMWFEESA-N 2 1 262.357 0.957 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989557045 633326908 /nfs/dbraw/zinc/32/69/08/633326908.db2.gz DXOWTJKBVMVEHY-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)CCO3)CCC[C@H]12 ZINC000990120915 633449143 /nfs/dbraw/zinc/44/91/43/633449143.db2.gz KXOTZLFQKCSEON-IJEWVQPXSA-N 2 1 293.411 0.616 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC000996624109 638824583 /nfs/dbraw/zinc/82/45/83/638824583.db2.gz PKRQDRTYDSIYLD-ZDUSSCGKSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC)CC1 ZINC000996684955 638828248 /nfs/dbraw/zinc/82/82/48/638828248.db2.gz KUGOVSNVGXQWPW-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC)CC1 ZINC000996684955 638828251 /nfs/dbraw/zinc/82/82/51/638828251.db2.gz KUGOVSNVGXQWPW-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000996799786 638833032 /nfs/dbraw/zinc/83/30/32/638833032.db2.gz YBXHDWFLGDCGHC-UHFFFAOYSA-N 2 1 260.341 0.405 20 30 CCEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000996976256 638846847 /nfs/dbraw/zinc/84/68/47/638846847.db2.gz BWYSBNOEFMGGJI-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001000918434 639193465 /nfs/dbraw/zinc/19/34/65/639193465.db2.gz FDUPWAHHXIBKCH-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001151674 639248546 /nfs/dbraw/zinc/24/85/46/639248546.db2.gz OAGRQZSOYBDHBT-GOEBONIOSA-N 2 1 289.423 0.956 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001151674 639248553 /nfs/dbraw/zinc/24/85/53/639248553.db2.gz OAGRQZSOYBDHBT-GOEBONIOSA-N 2 1 289.423 0.956 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001151674 639248561 /nfs/dbraw/zinc/24/85/61/639248561.db2.gz OAGRQZSOYBDHBT-GOEBONIOSA-N 2 1 289.423 0.956 20 30 CCEDMP CC#CCN1CCC(NC(=O)Cn2ccnc2)CC1 ZINC001004254137 639733761 /nfs/dbraw/zinc/73/37/61/639733761.db2.gz VNKGTQKIUFEQSX-UHFFFAOYSA-N 2 1 260.341 0.487 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006296545 640218606 /nfs/dbraw/zinc/21/86/06/640218606.db2.gz ZIUDXPRTOYPROI-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000848413005 643634262 /nfs/dbraw/zinc/63/42/62/643634262.db2.gz HUFYGYAHDQSFID-MJBXVCDLSA-N 2 1 294.399 0.377 20 30 CCEDMP N#CC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCCC1 ZINC000849047081 643707579 /nfs/dbraw/zinc/70/75/79/643707579.db2.gz PPYZHZLMAGREDP-UHFFFAOYSA-N 2 1 293.415 0.907 20 30 CCEDMP C[C@@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1C ZINC000852868669 644033443 /nfs/dbraw/zinc/03/34/43/644033443.db2.gz UJAAMZSXXQWSBZ-TZMCWYRMSA-N 2 1 263.385 0.588 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000852877215 644037854 /nfs/dbraw/zinc/03/78/54/644037854.db2.gz CAMGVSGWTZZRGL-MRXNPFEDSA-N 2 1 298.390 0.558 20 30 CCEDMP CC[C@H](C)NC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000303359111 649816573 /nfs/dbraw/zinc/81/65/73/649816573.db2.gz ASXUFNYBJUPPHL-ZDUSSCGKSA-N 2 1 269.437 0.717 20 30 CCEDMP CC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000303359111 649816576 /nfs/dbraw/zinc/81/65/76/649816576.db2.gz ASXUFNYBJUPPHL-ZDUSSCGKSA-N 2 1 269.437 0.717 20 30 CCEDMP CC[C@H](C)NC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000303359111 649816578 /nfs/dbraw/zinc/81/65/78/649816578.db2.gz ASXUFNYBJUPPHL-ZDUSSCGKSA-N 2 1 269.437 0.717 20 30 CCEDMP CCCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304743135 649838214 /nfs/dbraw/zinc/83/82/14/649838214.db2.gz CZAXSLYVWJITHV-GFCCVEGCSA-N 2 1 256.394 0.659 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+](C)C ZINC000303708993 649823949 /nfs/dbraw/zinc/82/39/49/649823949.db2.gz NLXQTHZBYZVHTE-LBPRGKRZSA-N 3 1 255.410 0.327 20 30 CCEDMP CC(C)CNC(=[NH2+])NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303793600 649825583 /nfs/dbraw/zinc/82/55/83/649825583.db2.gz ZQZZIJJIKTZDAM-CYBMUJFWSA-N 2 1 270.421 0.904 20 30 CCEDMP CC(C)CNC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000303885476 649826149 /nfs/dbraw/zinc/82/61/49/649826149.db2.gz NFGGHKPECVIGOU-ZDUSSCGKSA-N 2 1 269.437 0.430 20 30 CCEDMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=[NH2+])N2CCCCC2)C1 ZINC000303972744 649827523 /nfs/dbraw/zinc/82/75/23/649827523.db2.gz GDUADQZYGOEMLV-CYBMUJFWSA-N 2 1 295.431 0.374 20 30 CCEDMP CCCC[N@@H+](C)CCNC(NCCN1CCOCC1)=[NH+]C ZINC000304694434 649837766 /nfs/dbraw/zinc/83/77/66/649837766.db2.gz FAVOAVWYYWDPSX-UHFFFAOYSA-N 2 1 299.463 0.216 20 30 CCEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000304759680 649838242 /nfs/dbraw/zinc/83/82/42/649838242.db2.gz RLSOTTUIWQQCKO-NSHDSACASA-N 2 1 256.419 0.692 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@@H](C)COC ZINC000304762896 649838703 /nfs/dbraw/zinc/83/87/03/649838703.db2.gz WDWQHPYHAPTELU-NWDGAFQWSA-N 2 1 256.394 0.800 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230280335 805592261 /nfs/dbraw/zinc/59/22/61/805592261.db2.gz UMXDVWKBNMGBIS-ZIAGYGMSSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001266323179 790505605 /nfs/dbraw/zinc/50/56/05/790505605.db2.gz WGDYODQAOFLVFT-ZIAGYGMSSA-N 2 1 283.391 0.880 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001266540346 790903578 /nfs/dbraw/zinc/90/35/78/790903578.db2.gz VBYKCXBLCJKYGO-LBPRGKRZSA-N 2 1 260.341 0.414 20 30 CCEDMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001277710339 805975486 /nfs/dbraw/zinc/97/54/86/805975486.db2.gz XADSURZHGDHRIQ-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266798443 791243774 /nfs/dbraw/zinc/24/37/74/791243774.db2.gz LMXCUFDTLOYCBQ-AWEZNQCLSA-N 2 1 274.368 0.653 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001267130067 791576051 /nfs/dbraw/zinc/57/60/51/791576051.db2.gz CFEIXJZABRTKAL-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC001121928373 799097872 /nfs/dbraw/zinc/09/78/72/799097872.db2.gz NXMPVWFOMTWEMK-LSDHHAIUSA-N 2 1 296.459 0.670 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001122069929 799135509 /nfs/dbraw/zinc/13/55/09/799135509.db2.gz QGGGCUWAFJLRGI-ZDUSSCGKSA-N 2 1 251.374 0.446 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC001122023233 799125868 /nfs/dbraw/zinc/12/58/68/799125868.db2.gz ZJRFUOOTPDUXSQ-ZJUUUORDSA-N 2 1 261.316 0.736 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC001122023227 799125898 /nfs/dbraw/zinc/12/58/98/799125898.db2.gz ZJRFUOOTPDUXSQ-NXEZZACHSA-N 2 1 261.316 0.736 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161227256 800214292 /nfs/dbraw/zinc/21/42/92/800214292.db2.gz VMBVSZBSEIRDHM-UHFFFAOYSA-N 2 1 253.390 0.836 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850944 800677878 /nfs/dbraw/zinc/67/78/78/800677878.db2.gz QEHFEROKSMHSDO-CYBMUJFWSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153850944 800677880 /nfs/dbraw/zinc/67/78/80/800677880.db2.gz QEHFEROKSMHSDO-CYBMUJFWSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153850944 800677881 /nfs/dbraw/zinc/67/78/81/800677881.db2.gz QEHFEROKSMHSDO-CYBMUJFWSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC[C@@H](C)O ZINC001160209161 801920836 /nfs/dbraw/zinc/92/08/36/801920836.db2.gz AZNFEUWXZCVKQQ-CABCVRRESA-N 2 1 295.427 0.341 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC[C@@H](C)O ZINC001160209161 801920841 /nfs/dbraw/zinc/92/08/41/801920841.db2.gz AZNFEUWXZCVKQQ-CABCVRRESA-N 2 1 295.427 0.341 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001278316551 806946076 /nfs/dbraw/zinc/94/60/76/806946076.db2.gz SUXXRLCWFGLUTN-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166692413 802940044 /nfs/dbraw/zinc/94/00/44/802940044.db2.gz PHUZAWYONXUBLB-STQMWFEESA-N 2 1 253.390 0.856 20 30 CCEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2cnc[nH]2)C12CCC2 ZINC001203444971 803028560 /nfs/dbraw/zinc/02/85/60/803028560.db2.gz WRWTYHSBVHVONJ-ZIAGYGMSSA-N 2 1 286.379 0.993 20 30 CCEDMP C=CC[NH2+]CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001206588167 803271834 /nfs/dbraw/zinc/27/18/34/803271834.db2.gz YCRKVEWKXHVHIO-UHFFFAOYSA-N 2 1 295.427 0.723 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207735199 803443802 /nfs/dbraw/zinc/44/38/02/803443802.db2.gz YONXSQPMSFWRBJ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207735199 803443803 /nfs/dbraw/zinc/44/38/03/803443803.db2.gz YONXSQPMSFWRBJ-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC#CC)C1 ZINC001208355587 803508519 /nfs/dbraw/zinc/50/85/19/803508519.db2.gz DPLVEZYHMCZDGN-CVEARBPZSA-N 2 1 287.407 0.688 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC#CC)C1 ZINC001208355587 803508523 /nfs/dbraw/zinc/50/85/23/803508523.db2.gz DPLVEZYHMCZDGN-CVEARBPZSA-N 2 1 287.407 0.688 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208434897 803514072 /nfs/dbraw/zinc/51/40/72/803514072.db2.gz HPPSMSUWTZRXOO-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209643714 803619959 /nfs/dbraw/zinc/61/99/59/803619959.db2.gz VUILSQIYDNVWST-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001210493707 803652329 /nfs/dbraw/zinc/65/23/29/803652329.db2.gz NZPSSPVTNIQJHV-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211031349 803665143 /nfs/dbraw/zinc/66/51/43/803665143.db2.gz CVQIIXATBPBMEF-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211031349 803665147 /nfs/dbraw/zinc/66/51/47/803665147.db2.gz CVQIIXATBPBMEF-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211370154 803678275 /nfs/dbraw/zinc/67/82/75/803678275.db2.gz ZMPSZXYDZWPQEI-HUUCEWRRSA-N 2 1 297.443 0.966 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211370154 803678277 /nfs/dbraw/zinc/67/82/77/803678277.db2.gz ZMPSZXYDZWPQEI-HUUCEWRRSA-N 2 1 297.443 0.966 20 30 CCEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211370154 803678281 /nfs/dbraw/zinc/67/82/81/803678281.db2.gz ZMPSZXYDZWPQEI-HUUCEWRRSA-N 2 1 297.443 0.966 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747704 803701544 /nfs/dbraw/zinc/70/15/44/803701544.db2.gz ORFYITWDKNYKGN-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747704 803701547 /nfs/dbraw/zinc/70/15/47/803701547.db2.gz ORFYITWDKNYKGN-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001276707484 803712533 /nfs/dbraw/zinc/71/25/33/803712533.db2.gz HKLAHVACYSOWAH-XYYAHUGASA-N 2 1 251.374 0.418 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830493 804429252 /nfs/dbraw/zinc/42/92/52/804429252.db2.gz YCTSMZGFBIWTHY-ZNMIVQPWSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830493 804429258 /nfs/dbraw/zinc/42/92/58/804429258.db2.gz YCTSMZGFBIWTHY-ZNMIVQPWSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830493 804429263 /nfs/dbraw/zinc/42/92/63/804429263.db2.gz YCTSMZGFBIWTHY-ZNMIVQPWSA-N 2 1 293.411 0.045 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220831381 804677653 /nfs/dbraw/zinc/67/76/53/804677653.db2.gz XSQGBLSONKOGMM-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001276821946 804797264 /nfs/dbraw/zinc/79/72/64/804797264.db2.gz VSMFNDPTMAMDEX-KGLIPLIRSA-N 2 1 283.416 0.718 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001246058913 807136542 /nfs/dbraw/zinc/13/65/42/807136542.db2.gz HRODHPGNIVIJEO-MGPQQGTHSA-N 2 1 254.374 0.624 20 30 CCEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001278437935 807197585 /nfs/dbraw/zinc/19/75/85/807197585.db2.gz KZFZOUCNZLDFNT-CQSZACIVSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001278437935 807197588 /nfs/dbraw/zinc/19/75/88/807197588.db2.gz KZFZOUCNZLDFNT-CQSZACIVSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001278437935 807197593 /nfs/dbraw/zinc/19/75/93/807197593.db2.gz KZFZOUCNZLDFNT-CQSZACIVSA-N 2 1 251.374 0.542 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CC[NH2+]C ZINC001246302944 807215354 /nfs/dbraw/zinc/21/53/54/807215354.db2.gz FYJBENZCTVTOIY-OLZOCXBDSA-N 3 1 271.405 0.801 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001088702817 815103981 /nfs/dbraw/zinc/10/39/81/815103981.db2.gz LCLPEEJYXKLETM-KGLIPLIRSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001088702817 815103985 /nfs/dbraw/zinc/10/39/85/815103985.db2.gz LCLPEEJYXKLETM-KGLIPLIRSA-N 2 1 275.396 0.827 20 30 CCEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246578671 807299720 /nfs/dbraw/zinc/29/97/20/807299720.db2.gz HEKQDZSMTPJMRB-BYCMXARLSA-N 2 1 259.353 0.741 20 30 CCEDMP C=CCC[C@H](C)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246822078 807395819 /nfs/dbraw/zinc/39/58/19/807395819.db2.gz QWEGDFZZEUHESR-AWEZNQCLSA-N 2 1 254.422 0.426 20 30 CCEDMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254667548 808271730 /nfs/dbraw/zinc/27/17/30/808271730.db2.gz BKWITBUKZXMHCQ-ZIAGYGMSSA-N 2 1 250.390 0.858 20 30 CCEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254677153 808272552 /nfs/dbraw/zinc/27/25/52/808272552.db2.gz QIRJRLXXNUGDIM-BFHYXJOUSA-N 2 1 278.400 0.821 20 30 CCEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254677153 808272555 /nfs/dbraw/zinc/27/25/55/808272555.db2.gz QIRJRLXXNUGDIM-BFHYXJOUSA-N 2 1 278.400 0.821 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242753 815265982 /nfs/dbraw/zinc/26/59/82/815265982.db2.gz QJBBUOFNEUJVJC-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242753 815265988 /nfs/dbraw/zinc/26/59/88/815265988.db2.gz QJBBUOFNEUJVJC-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242753 815265993 /nfs/dbraw/zinc/26/59/93/815265993.db2.gz QJBBUOFNEUJVJC-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C[N@H+]1CCCC[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC001263274638 809501844 /nfs/dbraw/zinc/50/18/44/809501844.db2.gz HWQVRISANJDLEO-CQSZACIVSA-N 2 1 263.385 0.590 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076457581 815298899 /nfs/dbraw/zinc/29/88/99/815298899.db2.gz JIOXDDJVMDGNHB-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001264377340 809646785 /nfs/dbraw/zinc/64/67/85/809646785.db2.gz ZUWXMXKWRBYLGN-AWEZNQCLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001264377340 809646790 /nfs/dbraw/zinc/64/67/90/809646790.db2.gz ZUWXMXKWRBYLGN-AWEZNQCLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001264693093 809672304 /nfs/dbraw/zinc/67/23/04/809672304.db2.gz CXRYTWNUXZNFLY-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001264693093 809672306 /nfs/dbraw/zinc/67/23/06/809672306.db2.gz CXRYTWNUXZNFLY-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001264693093 809672309 /nfs/dbraw/zinc/67/23/09/809672309.db2.gz CXRYTWNUXZNFLY-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(CC)CCO3)[C@@H]2C1 ZINC001076594325 815317130 /nfs/dbraw/zinc/31/71/30/815317130.db2.gz LTOFAACQWZDGPX-RRFJBIMHSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001076594325 815317135 /nfs/dbraw/zinc/31/71/35/815317135.db2.gz LTOFAACQWZDGPX-RRFJBIMHSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001076594325 815317141 /nfs/dbraw/zinc/31/71/41/815317141.db2.gz LTOFAACQWZDGPX-RRFJBIMHSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076594325 815317153 /nfs/dbraw/zinc/31/71/53/815317153.db2.gz LTOFAACQWZDGPX-RRFJBIMHSA-N 2 1 293.411 0.426 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265930633 809897593 /nfs/dbraw/zinc/89/75/93/809897593.db2.gz FXTXEFZWMGPKKX-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001267280210 811087377 /nfs/dbraw/zinc/08/73/77/811087377.db2.gz BJTOOJROCUKDSU-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001267280210 811087384 /nfs/dbraw/zinc/08/73/84/811087384.db2.gz BJTOOJROCUKDSU-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001267280210 811087393 /nfs/dbraw/zinc/08/73/93/811087393.db2.gz BJTOOJROCUKDSU-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001267337765 811173009 /nfs/dbraw/zinc/17/30/09/811173009.db2.gz IEQUPJXJQFXDJC-UHFFFAOYSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)C1CC1 ZINC001267337765 811173018 /nfs/dbraw/zinc/17/30/18/811173018.db2.gz IEQUPJXJQFXDJC-UHFFFAOYSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C1CC1 ZINC001267337765 811173022 /nfs/dbraw/zinc/17/30/22/811173022.db2.gz IEQUPJXJQFXDJC-UHFFFAOYSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001077026854 815433752 /nfs/dbraw/zinc/43/37/52/815433752.db2.gz NVKGVFRHJARVHR-REWJHTLYSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001077026854 815433755 /nfs/dbraw/zinc/43/37/55/815433755.db2.gz NVKGVFRHJARVHR-REWJHTLYSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077026854 815433757 /nfs/dbraw/zinc/43/37/57/815433757.db2.gz NVKGVFRHJARVHR-REWJHTLYSA-N 2 1 281.400 0.064 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077026854 815433760 /nfs/dbraw/zinc/43/37/60/815433760.db2.gz NVKGVFRHJARVHR-REWJHTLYSA-N 2 1 281.400 0.064 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC ZINC001267989339 811930037 /nfs/dbraw/zinc/93/00/37/811930037.db2.gz KMZHOWGYKXPSCI-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC ZINC001267989339 811930039 /nfs/dbraw/zinc/93/00/39/811930039.db2.gz KMZHOWGYKXPSCI-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP CC#CC[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001268214631 812367519 /nfs/dbraw/zinc/36/75/19/812367519.db2.gz QZGIJFBVYHWIPL-AWEZNQCLSA-N 2 1 276.384 0.945 20 30 CCEDMP C#CCC[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268614780 812948714 /nfs/dbraw/zinc/94/87/14/812948714.db2.gz YHVJIPNQFGRMTD-GXMNPTEKSA-N 2 1 263.385 0.614 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCF)C1 ZINC001028601040 812955374 /nfs/dbraw/zinc/95/53/74/812955374.db2.gz HRWUAQWNVWXPSJ-KBPBESRZSA-N 2 1 281.375 0.492 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCF)C1 ZINC001028601040 812955378 /nfs/dbraw/zinc/95/53/78/812955378.db2.gz HRWUAQWNVWXPSJ-KBPBESRZSA-N 2 1 281.375 0.492 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCF)C1 ZINC001028601040 812955383 /nfs/dbraw/zinc/95/53/83/812955383.db2.gz HRWUAQWNVWXPSJ-KBPBESRZSA-N 2 1 281.375 0.492 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCF)C1 ZINC001028601040 812955390 /nfs/dbraw/zinc/95/53/90/812955390.db2.gz HRWUAQWNVWXPSJ-KBPBESRZSA-N 2 1 281.375 0.492 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001268901033 813138891 /nfs/dbraw/zinc/13/88/91/813138891.db2.gz WEJMGXGKJRMBBF-UHFFFAOYSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001268901033 813138896 /nfs/dbraw/zinc/13/88/96/813138896.db2.gz WEJMGXGKJRMBBF-UHFFFAOYSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001268858571 813118488 /nfs/dbraw/zinc/11/84/88/813118488.db2.gz OQYAVZVJQWGZFF-UHFFFAOYSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001269097168 813214161 /nfs/dbraw/zinc/21/41/61/813214161.db2.gz SITJUURCTUFSHJ-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001270436470 813763458 /nfs/dbraw/zinc/76/34/58/813763458.db2.gz ODZMEWVWPFWGJB-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809166 814106373 /nfs/dbraw/zinc/10/63/73/814106373.db2.gz XAAQCEKTZHMGPD-QKPAOTATSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809166 814106379 /nfs/dbraw/zinc/10/63/79/814106379.db2.gz XAAQCEKTZHMGPD-QKPAOTATSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809166 814106386 /nfs/dbraw/zinc/10/63/86/814106386.db2.gz XAAQCEKTZHMGPD-QKPAOTATSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726580 814198647 /nfs/dbraw/zinc/19/86/47/814198647.db2.gz LCACELLNEQXRHT-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726580 814198649 /nfs/dbraw/zinc/19/86/49/814198649.db2.gz LCACELLNEQXRHT-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726580 814198651 /nfs/dbraw/zinc/19/86/51/814198651.db2.gz LCACELLNEQXRHT-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC#C)C(C)C ZINC001271855263 814611648 /nfs/dbraw/zinc/61/16/48/814611648.db2.gz RTMMGYJSNWICPZ-GJZGRUSLSA-N 2 1 275.396 0.448 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC#C)C(C)C ZINC001271855263 814611654 /nfs/dbraw/zinc/61/16/54/814611654.db2.gz RTMMGYJSNWICPZ-GJZGRUSLSA-N 2 1 275.396 0.448 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001088424874 814682177 /nfs/dbraw/zinc/68/21/77/814682177.db2.gz HVGLUNHTYNIHRI-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)C[N@H+](C)CCC)C1 ZINC001100901746 814760430 /nfs/dbraw/zinc/76/04/30/814760430.db2.gz MAOFLVHPRPYHBM-UHFFFAOYSA-N 2 1 265.401 0.836 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974062 816030605 /nfs/dbraw/zinc/03/06/05/816030605.db2.gz MJRIJYCQALKKFV-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974062 816030612 /nfs/dbraw/zinc/03/06/12/816030612.db2.gz MJRIJYCQALKKFV-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980271 816202080 /nfs/dbraw/zinc/20/20/80/816202080.db2.gz CICNWSVLSRDHRH-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001088980271 816202083 /nfs/dbraw/zinc/20/20/83/816202083.db2.gz CICNWSVLSRDHRH-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001088980271 816202087 /nfs/dbraw/zinc/20/20/87/816202087.db2.gz CICNWSVLSRDHRH-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038831 816222099 /nfs/dbraw/zinc/22/20/99/816222099.db2.gz MQUTTYBFQNBCLQ-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001089038831 816222104 /nfs/dbraw/zinc/22/21/04/816222104.db2.gz MQUTTYBFQNBCLQ-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001089038831 816222107 /nfs/dbraw/zinc/22/21/07/816222107.db2.gz MQUTTYBFQNBCLQ-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001272425457 816415973 /nfs/dbraw/zinc/41/59/73/816415973.db2.gz MHKOTICYSSXLHQ-HZSPNIEDSA-N 2 1 283.416 0.360 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257366 816493205 /nfs/dbraw/zinc/49/32/05/816493205.db2.gz XWXMVRKKKFOQLK-HUUCEWRRSA-N 2 1 295.427 0.769 20 30 CCEDMP C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CCCC[NH3+] ZINC001235452066 816878690 /nfs/dbraw/zinc/87/86/90/816878690.db2.gz APZPWTUFBLYNGE-ZDUSSCGKSA-N 2 1 279.388 0.656 20 30 CCEDMP C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CCCC[NH3+] ZINC001235452066 816878701 /nfs/dbraw/zinc/87/87/01/816878701.db2.gz APZPWTUFBLYNGE-ZDUSSCGKSA-N 2 1 279.388 0.656 20 30 CCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046855543 816938805 /nfs/dbraw/zinc/93/88/05/816938805.db2.gz UHRKAOCYSAEDIQ-ZFWWWQNUSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046855543 816938810 /nfs/dbraw/zinc/93/88/10/816938810.db2.gz UHRKAOCYSAEDIQ-ZFWWWQNUSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046855543 816938815 /nfs/dbraw/zinc/93/88/15/816938815.db2.gz UHRKAOCYSAEDIQ-ZFWWWQNUSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046855543 816938818 /nfs/dbraw/zinc/93/88/18/816938818.db2.gz UHRKAOCYSAEDIQ-ZFWWWQNUSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC[C@H](C)F)C2)CC1 ZINC001031434841 817052293 /nfs/dbraw/zinc/05/22/93/817052293.db2.gz HJEVAKXMXOZXKS-ZDUSSCGKSA-N 2 1 295.402 0.880 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031772159 817353435 /nfs/dbraw/zinc/35/34/35/817353435.db2.gz PMEIICOOTIJLKM-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031772159 817353442 /nfs/dbraw/zinc/35/34/42/817353442.db2.gz PMEIICOOTIJLKM-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001031800312 817373304 /nfs/dbraw/zinc/37/33/04/817373304.db2.gz KPNHFWIDMMLTQX-UHFFFAOYSA-N 2 1 282.347 0.938 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106982286 817570275 /nfs/dbraw/zinc/57/02/75/817570275.db2.gz HPDYTRFUQZEMSU-MGPQQGTHSA-N 2 1 265.401 0.808 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077679332 817984618 /nfs/dbraw/zinc/98/46/18/817984618.db2.gz OVHFAVLYIHRBKR-RBSFLKMASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001077685320 817991255 /nfs/dbraw/zinc/99/12/55/817991255.db2.gz KQSUKXAGVRSXCG-ZIAGYGMSSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685320 817991261 /nfs/dbraw/zinc/99/12/61/817991261.db2.gz KQSUKXAGVRSXCG-ZIAGYGMSSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685320 817991268 /nfs/dbraw/zinc/99/12/68/817991268.db2.gz KQSUKXAGVRSXCG-ZIAGYGMSSA-N 2 1 295.427 0.456 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033083251 818499431 /nfs/dbraw/zinc/49/94/31/818499431.db2.gz WJCAPBJTBARORW-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001034733454 819313578 /nfs/dbraw/zinc/31/35/78/819313578.db2.gz CJFCYMUHSALVNL-RBSFLKMASA-N 2 1 277.412 0.978 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079526874 820423126 /nfs/dbraw/zinc/42/31/26/820423126.db2.gz VOIPFRRYMGLJLL-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079526874 820423131 /nfs/dbraw/zinc/42/31/31/820423131.db2.gz VOIPFRRYMGLJLL-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079526874 820423134 /nfs/dbraw/zinc/42/31/34/820423134.db2.gz VOIPFRRYMGLJLL-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079526874 820423140 /nfs/dbraw/zinc/42/31/40/820423140.db2.gz VOIPFRRYMGLJLL-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080934761 820658181 /nfs/dbraw/zinc/65/81/81/820658181.db2.gz AOGXUBDCHNFFQY-JHJVBQTASA-N 2 1 251.374 0.561 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080934761 820658187 /nfs/dbraw/zinc/65/81/87/820658187.db2.gz AOGXUBDCHNFFQY-JHJVBQTASA-N 2 1 251.374 0.561 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080934761 820658195 /nfs/dbraw/zinc/65/81/95/820658195.db2.gz AOGXUBDCHNFFQY-JHJVBQTASA-N 2 1 251.374 0.561 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080935499 820658999 /nfs/dbraw/zinc/65/89/99/820658999.db2.gz XGKWEUPMITVICC-HZSPNIEDSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080935499 820659001 /nfs/dbraw/zinc/65/90/01/820659001.db2.gz XGKWEUPMITVICC-HZSPNIEDSA-N 2 1 265.401 0.951 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080935499 820659002 /nfs/dbraw/zinc/65/90/02/820659002.db2.gz XGKWEUPMITVICC-HZSPNIEDSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082095830 820893554 /nfs/dbraw/zinc/89/35/54/820893554.db2.gz KXUJUYKHSMRUCP-HUUCEWRRSA-N 2 1 293.411 0.167 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954219 821166217 /nfs/dbraw/zinc/16/62/17/821166217.db2.gz PTIDKMSYARFBEO-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954219 821166222 /nfs/dbraw/zinc/16/62/22/821166222.db2.gz PTIDKMSYARFBEO-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954219 821166225 /nfs/dbraw/zinc/16/62/25/821166225.db2.gz PTIDKMSYARFBEO-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCN1CC[C@@H]2CN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 ZINC001084686832 821350570 /nfs/dbraw/zinc/35/05/70/821350570.db2.gz XXNZOVAAIBKPAT-DGCLKSJQSA-N 2 1 260.341 0.671 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871601 821467257 /nfs/dbraw/zinc/46/72/57/821467257.db2.gz HUKRFSYPIDJISZ-OLZOCXBDSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085158935 821520709 /nfs/dbraw/zinc/52/07/09/821520709.db2.gz BRSFVZMBIGOKBW-KFWWJZLASA-N 2 1 295.427 0.910 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085158935 821520712 /nfs/dbraw/zinc/52/07/12/821520712.db2.gz BRSFVZMBIGOKBW-KFWWJZLASA-N 2 1 295.427 0.910 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086399184 822238286 /nfs/dbraw/zinc/23/82/86/822238286.db2.gz RGCMPCWDGUIWNS-KBUPBQIOSA-N 2 1 295.427 0.766 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086399184 822238293 /nfs/dbraw/zinc/23/82/93/822238293.db2.gz RGCMPCWDGUIWNS-KBUPBQIOSA-N 2 1 295.427 0.766 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCC=C ZINC001129771434 837557709 /nfs/dbraw/zinc/55/77/09/837557709.db2.gz XLPWLEWRPYLNCU-AWEZNQCLSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCC=C ZINC001129771434 837557717 /nfs/dbraw/zinc/55/77/17/837557717.db2.gz XLPWLEWRPYLNCU-AWEZNQCLSA-N 2 1 263.385 0.756 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129839606 837572796 /nfs/dbraw/zinc/57/27/96/837572796.db2.gz CBLLHOSWXQKRFK-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421970 837789560 /nfs/dbraw/zinc/78/95/60/837789560.db2.gz RBNZMGANWVJXOC-GFCCVEGCSA-N 2 1 298.431 0.113 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001108804451 836531104 /nfs/dbraw/zinc/53/11/04/836531104.db2.gz SHCSENBVQWOJRS-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980747 836753946 /nfs/dbraw/zinc/75/39/46/836753946.db2.gz YVNGWMZGXQIRRK-ILXRZTDVSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001110016600 836762123 /nfs/dbraw/zinc/76/21/23/836762123.db2.gz WDJNFUPBERCVJW-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001110016600 836762128 /nfs/dbraw/zinc/76/21/28/836762128.db2.gz WDJNFUPBERCVJW-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110016600 836762134 /nfs/dbraw/zinc/76/21/34/836762134.db2.gz WDJNFUPBERCVJW-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110016600 836762142 /nfs/dbraw/zinc/76/21/42/836762142.db2.gz WDJNFUPBERCVJW-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086550491 836864214 /nfs/dbraw/zinc/86/42/14/836864214.db2.gz KFESHPYURVMYCL-IHRRRGAJSA-N 2 1 265.401 0.999 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001113345809 837097633 /nfs/dbraw/zinc/09/76/33/837097633.db2.gz GSDUWMKPBRSVLN-HUUCEWRRSA-N 2 1 295.427 0.531 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001113345809 837097641 /nfs/dbraw/zinc/09/76/41/837097641.db2.gz GSDUWMKPBRSVLN-HUUCEWRRSA-N 2 1 295.427 0.531 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525944 838128672 /nfs/dbraw/zinc/12/86/72/838128672.db2.gz RIBPHQDGMRPWLX-LXVYMNJGSA-N 2 1 299.802 0.308 20 30 CCEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681425 838173692 /nfs/dbraw/zinc/17/36/92/838173692.db2.gz BKVKALLXUJMBFA-GDBMZVCRSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132264763 838349066 /nfs/dbraw/zinc/34/90/66/838349066.db2.gz BCMMLUHMFOBSFB-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132272800 838352229 /nfs/dbraw/zinc/35/22/29/838352229.db2.gz BSPPTTVAFXBVTP-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133862607 838753726 /nfs/dbraw/zinc/75/37/26/838753726.db2.gz DPFKCMTWYSLTGK-STQMWFEESA-N 2 1 253.390 0.856 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001086720816 838926706 /nfs/dbraw/zinc/92/67/06/838926706.db2.gz QAINLYMQEKTPOI-XHSDSOJGSA-N 2 1 287.407 0.592 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001086720816 838926719 /nfs/dbraw/zinc/92/67/19/838926719.db2.gz QAINLYMQEKTPOI-XHSDSOJGSA-N 2 1 287.407 0.592 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135096024 839160597 /nfs/dbraw/zinc/16/05/97/839160597.db2.gz ZAVKAYTXHDGZLG-HUUCEWRRSA-N 2 1 293.411 0.359 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135326233 839207560 /nfs/dbraw/zinc/20/75/60/839207560.db2.gz SIYUSKKDHJOEHI-UHFFFAOYSA-N 2 1 281.400 0.218 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135882672 839455141 /nfs/dbraw/zinc/45/51/41/839455141.db2.gz QXKJJEQLYVABPM-CHWSQXEVSA-N 2 1 253.390 0.834 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001185676297 844451724 /nfs/dbraw/zinc/45/17/24/844451724.db2.gz SYHXTBSNKISULJ-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246491527 839873470 /nfs/dbraw/zinc/87/34/70/839873470.db2.gz SUIHNYLPILNJIZ-WFASDCNBSA-N 2 1 258.369 0.640 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001147283429 840549786 /nfs/dbraw/zinc/54/97/86/840549786.db2.gz JHXRTCBKZLSABR-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC001147283429 840549791 /nfs/dbraw/zinc/54/97/91/840549791.db2.gz JHXRTCBKZLSABR-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148160493 840753112 /nfs/dbraw/zinc/75/31/12/840753112.db2.gz JALXXQHJMJFBGJ-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272565 841003745 /nfs/dbraw/zinc/00/37/45/841003745.db2.gz FTDAIFBNTIDQEE-LZWOXQAQSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272565 841003756 /nfs/dbraw/zinc/00/37/56/841003756.db2.gz FTDAIFBNTIDQEE-LZWOXQAQSA-N 2 1 275.396 0.352 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093211770 841177491 /nfs/dbraw/zinc/17/74/91/841177491.db2.gz DFTUBHVDHUNQMR-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093211770 841177492 /nfs/dbraw/zinc/17/74/92/841177492.db2.gz DFTUBHVDHUNQMR-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093211770 841177495 /nfs/dbraw/zinc/17/74/95/841177495.db2.gz DFTUBHVDHUNQMR-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093211770 841177497 /nfs/dbraw/zinc/17/74/97/841177497.db2.gz DFTUBHVDHUNQMR-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606812 842382342 /nfs/dbraw/zinc/38/23/42/842382342.db2.gz LBEKDAHTNMVBOW-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606812 842382353 /nfs/dbraw/zinc/38/23/53/842382353.db2.gz LBEKDAHTNMVBOW-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176971552 842474049 /nfs/dbraw/zinc/47/40/49/842474049.db2.gz CQXXIPXJOCOAKY-UHFFFAOYSA-N 2 1 269.389 0.072 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176992431 842480342 /nfs/dbraw/zinc/48/03/42/842480342.db2.gz OZHVZUFGWOMNLR-CQSZACIVSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCO ZINC001178722728 842898210 /nfs/dbraw/zinc/89/82/10/842898210.db2.gz OJWOFUOEIOQVBM-HNNXBMFYSA-N 2 1 295.427 0.343 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCO ZINC001178722728 842898217 /nfs/dbraw/zinc/89/82/17/842898217.db2.gz OJWOFUOEIOQVBM-HNNXBMFYSA-N 2 1 295.427 0.343 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180125058 843108822 /nfs/dbraw/zinc/10/88/22/843108822.db2.gz ZTACKYFGPHOLDW-KKUMJFAQSA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182869 843112326 /nfs/dbraw/zinc/11/23/26/843112326.db2.gz RVPRQPJAYHRHHS-SOUVJXGZSA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182869 843112329 /nfs/dbraw/zinc/11/23/29/843112329.db2.gz RVPRQPJAYHRHHS-SOUVJXGZSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001187321511 844691137 /nfs/dbraw/zinc/69/11/37/844691137.db2.gz BNKTZCFSOLIASJ-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190901385 845526602 /nfs/dbraw/zinc/52/66/02/845526602.db2.gz XZPUZTRHNFFAHV-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190901385 845526613 /nfs/dbraw/zinc/52/66/13/845526613.db2.gz XZPUZTRHNFFAHV-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901385 845526625 /nfs/dbraw/zinc/52/66/25/845526625.db2.gz XZPUZTRHNFFAHV-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901385 845526630 /nfs/dbraw/zinc/52/66/30/845526630.db2.gz XZPUZTRHNFFAHV-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCCN1CC2(C1)CN(C(=O)C[N@H+](C)C(C)C)CCO2 ZINC001273636610 845818300 /nfs/dbraw/zinc/81/83/00/845818300.db2.gz CRMFZTRPSYONOW-UHFFFAOYSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001196498102 846764830 /nfs/dbraw/zinc/76/48/30/846764830.db2.gz ASGUHOLFWHQJMM-MGPQQGTHSA-N 2 1 292.383 0.572 20 30 CCEDMP CC[N@H+](C)CCC(=O)N1CCC[NH+](CC#CCOC)CC1 ZINC001197708093 846951084 /nfs/dbraw/zinc/95/10/84/846951084.db2.gz VNJZFANYVHJJLB-UHFFFAOYSA-N 2 1 295.427 0.512 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N1CCC[NH+](CC#CCOC)CC1 ZINC001197708093 846951092 /nfs/dbraw/zinc/95/10/92/846951092.db2.gz VNJZFANYVHJJLB-UHFFFAOYSA-N 2 1 295.427 0.512 20 30 CCEDMP CC[NH+](C)CCC(=O)N1CCC[N@H+](CC#CCOC)CC1 ZINC001197708093 846951099 /nfs/dbraw/zinc/95/10/99/846951099.db2.gz VNJZFANYVHJJLB-UHFFFAOYSA-N 2 1 295.427 0.512 20 30 CCEDMP CC[NH+](C)CCC(=O)N1CCC[N@@H+](CC#CCOC)CC1 ZINC001197708093 846951104 /nfs/dbraw/zinc/95/11/04/846951104.db2.gz VNJZFANYVHJJLB-UHFFFAOYSA-N 2 1 295.427 0.512 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201800741 847813034 /nfs/dbraw/zinc/81/30/34/847813034.db2.gz PCLOXCLPFBKVLN-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001273958078 847972211 /nfs/dbraw/zinc/97/22/11/847972211.db2.gz HJVJHSMYEHROAP-CYBMUJFWSA-N 2 1 281.400 0.522 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001252468372 847975693 /nfs/dbraw/zinc/97/56/93/847975693.db2.gz NHCCTGWJDOSAST-CQSZACIVSA-N 2 1 256.390 0.966 20 30 CCEDMP C=CCOC[C@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001252468372 847975700 /nfs/dbraw/zinc/97/57/00/847975700.db2.gz NHCCTGWJDOSAST-CQSZACIVSA-N 2 1 256.390 0.966 20 30 CCEDMP C#CC[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001274105172 848349708 /nfs/dbraw/zinc/34/97/08/848349708.db2.gz HEFBKANZQJNDJN-ISZGNANSSA-N 2 1 263.385 0.756 20 30 CCEDMP C=C[C@@](C)(O)C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274614106 848523501 /nfs/dbraw/zinc/52/35/01/848523501.db2.gz BBZGVANRGWRKPD-HZPDHXFCSA-N 2 1 295.427 0.409 20 30 CCEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001275915681 848865016 /nfs/dbraw/zinc/86/50/16/848865016.db2.gz OURMKZOUSMSGCO-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001275977131 848879744 /nfs/dbraw/zinc/87/97/44/848879744.db2.gz NJBUGKBJGDGKCD-STQMWFEESA-N 2 1 253.390 0.786 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114794333 849397215 /nfs/dbraw/zinc/39/72/15/849397215.db2.gz GSZWEKZEFIMMOR-CBBWQLFWSA-N 2 1 277.412 0.642 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042216072 850598220 /nfs/dbraw/zinc/59/82/20/850598220.db2.gz LGQCABVGCHOFAL-ZBFHGGJFSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001096015016 851223271 /nfs/dbraw/zinc/22/32/71/851223271.db2.gz QOQLCQYXJYWCHN-XGUBFFRZSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001096015016 851223273 /nfs/dbraw/zinc/22/32/73/851223273.db2.gz QOQLCQYXJYWCHN-XGUBFFRZSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001096015016 851223277 /nfs/dbraw/zinc/22/32/77/851223277.db2.gz QOQLCQYXJYWCHN-XGUBFFRZSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001096015016 851223279 /nfs/dbraw/zinc/22/32/79/851223279.db2.gz QOQLCQYXJYWCHN-XGUBFFRZSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046323048 851466184 /nfs/dbraw/zinc/46/61/84/851466184.db2.gz FLVGWYASSCBBER-ZBFHGGJFSA-N 2 1 275.396 0.542 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047324195 851717252 /nfs/dbraw/zinc/71/72/52/851717252.db2.gz LICVXTAWTPHLOY-RDBSUJKOSA-N 2 1 281.400 0.160 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047442395 851766242 /nfs/dbraw/zinc/76/62/42/851766242.db2.gz YMMLKRMIXPMPCN-KBPBESRZSA-N 2 1 293.411 0.304 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047442395 851766248 /nfs/dbraw/zinc/76/62/48/851766248.db2.gz YMMLKRMIXPMPCN-KBPBESRZSA-N 2 1 293.411 0.304 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001048875783 852093598 /nfs/dbraw/zinc/09/35/98/852093598.db2.gz NMKAAHIRLXRAEO-ZNMIVQPWSA-N 2 1 277.412 0.596 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059756 852152917 /nfs/dbraw/zinc/15/29/17/852152917.db2.gz FWQDFHWGICPXQV-APIJFGDWSA-N 2 1 277.412 0.760 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059756 852152919 /nfs/dbraw/zinc/15/29/19/852152919.db2.gz FWQDFHWGICPXQV-APIJFGDWSA-N 2 1 277.412 0.760 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059756 852152922 /nfs/dbraw/zinc/15/29/22/852152922.db2.gz FWQDFHWGICPXQV-APIJFGDWSA-N 2 1 277.412 0.760 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049170640 852182905 /nfs/dbraw/zinc/18/29/05/852182905.db2.gz AFWQPJDVLJJDFA-HRCADAONSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049170640 852182907 /nfs/dbraw/zinc/18/29/07/852182907.db2.gz AFWQPJDVLJJDFA-HRCADAONSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049170640 852182910 /nfs/dbraw/zinc/18/29/10/852182910.db2.gz AFWQPJDVLJJDFA-HRCADAONSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049212228 852193718 /nfs/dbraw/zinc/19/37/18/852193718.db2.gz AEWJKWDSOZDFNS-KFWWJZLASA-N 2 1 275.396 0.352 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049212228 852193722 /nfs/dbraw/zinc/19/37/22/852193722.db2.gz AEWJKWDSOZDFNS-KFWWJZLASA-N 2 1 275.396 0.352 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049212228 852193729 /nfs/dbraw/zinc/19/37/29/852193729.db2.gz AEWJKWDSOZDFNS-KFWWJZLASA-N 2 1 275.396 0.352 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049392186 852255449 /nfs/dbraw/zinc/25/54/49/852255449.db2.gz VVDONHDEEFFCGR-KFWWJZLASA-N 2 1 293.411 0.568 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097085821 852498413 /nfs/dbraw/zinc/49/84/13/852498413.db2.gz QIAOKCQTSLZJRA-FPCVCCKLSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097085821 852498420 /nfs/dbraw/zinc/49/84/20/852498420.db2.gz QIAOKCQTSLZJRA-FPCVCCKLSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3cncc3C1)C2 ZINC001097361909 852531707 /nfs/dbraw/zinc/53/17/07/852531707.db2.gz HMOXRYKIGGYECI-XOUADPBQSA-N 2 1 298.390 0.800 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052932266 852671720 /nfs/dbraw/zinc/67/17/20/852671720.db2.gz KPXXLLZZHVQGQL-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052932266 852671722 /nfs/dbraw/zinc/67/17/22/852671722.db2.gz KPXXLLZZHVQGQL-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052932266 852671724 /nfs/dbraw/zinc/67/17/24/852671724.db2.gz KPXXLLZZHVQGQL-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001054833456 853020837 /nfs/dbraw/zinc/02/08/37/853020837.db2.gz JQUSXDYKJASRLT-BXUZGUMPSA-N 2 1 290.367 0.420 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050139736 853322372 /nfs/dbraw/zinc/32/23/72/853322372.db2.gz FQUYWTSTPFBWPI-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050139736 853322379 /nfs/dbraw/zinc/32/23/79/853322379.db2.gz FQUYWTSTPFBWPI-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050139736 853322386 /nfs/dbraw/zinc/32/23/86/853322386.db2.gz FQUYWTSTPFBWPI-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052275103 853721567 /nfs/dbraw/zinc/72/15/67/853721567.db2.gz GUSDALPSXGIJSD-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052275103 853721574 /nfs/dbraw/zinc/72/15/74/853721574.db2.gz GUSDALPSXGIJSD-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052275103 853721580 /nfs/dbraw/zinc/72/15/80/853721580.db2.gz GUSDALPSXGIJSD-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052275103 853721583 /nfs/dbraw/zinc/72/15/83/853721583.db2.gz GUSDALPSXGIJSD-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886439 854657096 /nfs/dbraw/zinc/65/70/96/854657096.db2.gz OGRKPVORMRQAGH-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886439 854657104 /nfs/dbraw/zinc/65/71/04/854657104.db2.gz OGRKPVORMRQAGH-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073890542 854659393 /nfs/dbraw/zinc/65/93/93/854659393.db2.gz GBVYLCJAWMPBQM-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073890542 854659398 /nfs/dbraw/zinc/65/93/98/854659398.db2.gz GBVYLCJAWMPBQM-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073890542 854659403 /nfs/dbraw/zinc/65/94/03/854659403.db2.gz GBVYLCJAWMPBQM-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001074686162 854765868 /nfs/dbraw/zinc/76/58/68/854765868.db2.gz SSFZUFYTVFHWII-MELADBBJSA-N 2 1 286.379 0.973 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001074829661 854790390 /nfs/dbraw/zinc/79/03/90/854790390.db2.gz JIYBJXFWWHKRNF-KKUMJFAQSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001074829661 854790395 /nfs/dbraw/zinc/79/03/95/854790395.db2.gz JIYBJXFWWHKRNF-KKUMJFAQSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001075038947 854808157 /nfs/dbraw/zinc/80/81/57/854808157.db2.gz LZEWMTRYZUSOFS-IHRRRGAJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098400516 854862971 /nfs/dbraw/zinc/86/29/71/854862971.db2.gz FDHXPAORAAMEJU-KFWWJZLASA-N 2 1 275.396 0.827 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098400516 854862975 /nfs/dbraw/zinc/86/29/75/854862975.db2.gz FDHXPAORAAMEJU-KFWWJZLASA-N 2 1 275.396 0.827 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099875069 855016158 /nfs/dbraw/zinc/01/61/58/855016158.db2.gz VDHOBNZCPYUGQQ-KGLIPLIRSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099878941 855016810 /nfs/dbraw/zinc/01/68/10/855016810.db2.gz BVDMYUCWCKUIQO-GJZGRUSLSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099878941 855016813 /nfs/dbraw/zinc/01/68/13/855016813.db2.gz BVDMYUCWCKUIQO-GJZGRUSLSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099878941 855016817 /nfs/dbraw/zinc/01/68/17/855016817.db2.gz BVDMYUCWCKUIQO-GJZGRUSLSA-N 2 1 293.411 0.045 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099898583 855024197 /nfs/dbraw/zinc/02/41/97/855024197.db2.gz DQYBJHDEEWQCRA-UONOGXRCSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898583 855024203 /nfs/dbraw/zinc/02/42/03/855024203.db2.gz DQYBJHDEEWQCRA-UONOGXRCSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898583 855024208 /nfs/dbraw/zinc/02/42/08/855024208.db2.gz DQYBJHDEEWQCRA-UONOGXRCSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986480 855061444 /nfs/dbraw/zinc/06/14/44/855061444.db2.gz LLFZINHRPZNNCE-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001100016997 855071975 /nfs/dbraw/zinc/07/19/75/855071975.db2.gz CMPFDFLKSGKYQE-UONOGXRCSA-N 2 1 292.383 0.470 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100065215 855089619 /nfs/dbraw/zinc/08/96/19/855089619.db2.gz ZJPRBDPXMJEYRR-QWHCGFSZSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100065215 855089623 /nfs/dbraw/zinc/08/96/23/855089623.db2.gz ZJPRBDPXMJEYRR-QWHCGFSZSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100065215 855089627 /nfs/dbraw/zinc/08/96/27/855089627.db2.gz ZJPRBDPXMJEYRR-QWHCGFSZSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100110683 855099875 /nfs/dbraw/zinc/09/98/75/855099875.db2.gz ZORIITGPWZIELW-CABCVRRESA-N 2 1 295.427 0.600 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001100896944 855235856 /nfs/dbraw/zinc/23/58/56/855235856.db2.gz SJMDXOHVONGINY-UHFFFAOYSA-N 2 1 265.401 0.836 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001100988961 855251350 /nfs/dbraw/zinc/25/13/50/855251350.db2.gz AIGCSLAPWAHJBS-UHFFFAOYSA-N 2 1 274.368 0.699 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115462105 855674538 /nfs/dbraw/zinc/67/45/38/855674538.db2.gz ROQCSTFCVZUSMA-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115462105 855674540 /nfs/dbraw/zinc/67/45/40/855674540.db2.gz ROQCSTFCVZUSMA-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP CC#CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001116926620 855868311 /nfs/dbraw/zinc/86/83/11/855868311.db2.gz NTTJQSNTTPMJOI-UHFFFAOYSA-N 2 1 258.325 0.795 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001492816248 912253787 /nfs/dbraw/zinc/25/37/87/912253787.db2.gz DTBWDAJFXBLJTG-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001481008630 892051047 /nfs/dbraw/zinc/05/10/47/892051047.db2.gz TUYUIQLKGQZJIR-UHFFFAOYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482137200 893431401 /nfs/dbraw/zinc/43/14/01/893431401.db2.gz UZEQKLVIANDQRT-IHRRRGAJSA-N 2 1 265.401 0.692 20 30 CCEDMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001482364087 893919732 /nfs/dbraw/zinc/91/97/32/893919732.db2.gz BCBLLFLFWAATHC-LLVKDONJSA-N 2 1 250.346 0.814 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001482737644 894554289 /nfs/dbraw/zinc/55/42/89/894554289.db2.gz QVRYJHWRBWJLAJ-CYBMUJFWSA-N 2 1 269.389 0.114 20 30 CCEDMP C=CC[NH2+]C/C=C\CNC(=O)CC[NH+]1CCOCC1 ZINC001483070909 894875384 /nfs/dbraw/zinc/87/53/84/894875384.db2.gz DGBNSOFPUAMVAQ-ARJAWSKDSA-N 2 1 267.373 0.157 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483380369 895522560 /nfs/dbraw/zinc/52/25/60/895522560.db2.gz HZRAKNUWGXCCAT-QWHCGFSZSA-N 2 1 253.390 0.642 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001483781081 896050652 /nfs/dbraw/zinc/05/06/52/896050652.db2.gz GLXMRFUOPGMNLR-UHFFFAOYSA-N 2 1 251.374 0.590 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001484692991 896540323 /nfs/dbraw/zinc/54/03/23/896540323.db2.gz AAAIFGZVOVBYGA-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001484950016 896678788 /nfs/dbraw/zinc/67/87/88/896678788.db2.gz QXGQYDBPMIEIHX-CQSZACIVSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CCC[NH+]1CCC(CO)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001485026899 896723336 /nfs/dbraw/zinc/72/33/36/896723336.db2.gz HZNVKKOQMFSYTB-UHFFFAOYSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485303018 896944475 /nfs/dbraw/zinc/94/44/75/896944475.db2.gz OYGKDEDVULPBGJ-OCCSQVGLSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001485578201 897123735 /nfs/dbraw/zinc/12/37/35/897123735.db2.gz SRIFTGAEUOMJCX-AWEZNQCLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001485578201 897123738 /nfs/dbraw/zinc/12/37/38/897123738.db2.gz SRIFTGAEUOMJCX-AWEZNQCLSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485805451 897260286 /nfs/dbraw/zinc/26/02/86/897260286.db2.gz XQIZISUJIZDKEL-CABCVRRESA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485805451 897260302 /nfs/dbraw/zinc/26/03/02/897260302.db2.gz XQIZISUJIZDKEL-CABCVRRESA-N 2 1 293.411 0.167 20 30 CCEDMP C=CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107954631 897588774 /nfs/dbraw/zinc/58/87/74/897588774.db2.gz TZOCXILNXNJZPD-FMKPAKJESA-N 2 1 295.427 0.720 20 30 CCEDMP N#Cc1ccnc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205240636 897726323 /nfs/dbraw/zinc/72/63/23/897726323.db2.gz MMSSNHMZGZRDMI-AWEZNQCLSA-N 2 1 260.341 0.629 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212411792 897896422 /nfs/dbraw/zinc/89/64/22/897896422.db2.gz JGVXFIZKPXJNTQ-RBSFLKMASA-N 2 1 293.411 0.165 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212411792 897896428 /nfs/dbraw/zinc/89/64/28/897896428.db2.gz JGVXFIZKPXJNTQ-RBSFLKMASA-N 2 1 293.411 0.165 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414946 897905032 /nfs/dbraw/zinc/90/50/32/897905032.db2.gz ZCUDIJODDFBZMF-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414946 897905038 /nfs/dbraw/zinc/90/50/38/897905038.db2.gz ZCUDIJODDFBZMF-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414946 897905044 /nfs/dbraw/zinc/90/50/44/897905044.db2.gz ZCUDIJODDFBZMF-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414946 897905048 /nfs/dbraw/zinc/90/50/48/897905048.db2.gz ZCUDIJODDFBZMF-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCN1CC2(C[NH+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001272888344 898121361 /nfs/dbraw/zinc/12/13/61/898121361.db2.gz WHEQJGHCINUEIH-UHFFFAOYSA-N 2 1 293.411 0.427 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001078683840 898448315 /nfs/dbraw/zinc/44/83/15/898448315.db2.gz XHDLPWGUVRHVFX-KGLIPLIRSA-N 2 1 286.379 0.842 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCF ZINC001485887280 898487248 /nfs/dbraw/zinc/48/72/48/898487248.db2.gz WEIFMCFMPUGPNZ-STQMWFEESA-N 2 1 269.364 0.490 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCF ZINC001485887280 898487253 /nfs/dbraw/zinc/48/72/53/898487253.db2.gz WEIFMCFMPUGPNZ-STQMWFEESA-N 2 1 269.364 0.490 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001490530090 900647998 /nfs/dbraw/zinc/64/79/98/900647998.db2.gz JTRGVEVCSYOQQD-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001490530090 900647984 /nfs/dbraw/zinc/64/79/84/900647984.db2.gz JTRGVEVCSYOQQD-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001490530090 900647989 /nfs/dbraw/zinc/64/79/89/900647989.db2.gz JTRGVEVCSYOQQD-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001490530090 900647994 /nfs/dbraw/zinc/64/79/94/900647994.db2.gz JTRGVEVCSYOQQD-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001280882987 903973577 /nfs/dbraw/zinc/97/35/77/903973577.db2.gz BLNSRRDFXGIGSI-ZDUSSCGKSA-N 2 1 253.390 0.904 20 30 CCEDMP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001280882987 903973589 /nfs/dbraw/zinc/97/35/89/903973589.db2.gz BLNSRRDFXGIGSI-ZDUSSCGKSA-N 2 1 253.390 0.904 20 30 CCEDMP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001280882987 903973607 /nfs/dbraw/zinc/97/36/07/903973607.db2.gz BLNSRRDFXGIGSI-ZDUSSCGKSA-N 2 1 253.390 0.904 20 30 CCEDMP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001281459079 904288716 /nfs/dbraw/zinc/28/87/16/904288716.db2.gz SQSSBNMTFLPUDX-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001284520762 905353135 /nfs/dbraw/zinc/35/31/35/905353135.db2.gz XXIIOKAORVTVGQ-AWEZNQCLSA-N 2 1 283.416 0.101 20 30 CCEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001284520762 905353150 /nfs/dbraw/zinc/35/31/50/905353150.db2.gz XXIIOKAORVTVGQ-AWEZNQCLSA-N 2 1 283.416 0.101 20 30 CCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001284520762 905353165 /nfs/dbraw/zinc/35/31/65/905353165.db2.gz XXIIOKAORVTVGQ-AWEZNQCLSA-N 2 1 283.416 0.101 20 30 CCEDMP C#CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CCOC ZINC001284669310 905417734 /nfs/dbraw/zinc/41/77/34/905417734.db2.gz VLOBQAHCYDQKDA-GASCZTMLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CCOC ZINC001284669310 905417737 /nfs/dbraw/zinc/41/77/37/905417737.db2.gz VLOBQAHCYDQKDA-GASCZTMLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+](CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CCOC ZINC001284669310 905417740 /nfs/dbraw/zinc/41/77/40/905417740.db2.gz VLOBQAHCYDQKDA-GASCZTMLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CCOC ZINC001284669310 905417744 /nfs/dbraw/zinc/41/77/44/905417744.db2.gz VLOBQAHCYDQKDA-GASCZTMLSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001491812110 907613783 /nfs/dbraw/zinc/61/37/83/907613783.db2.gz ISSHXXGNIJGGIS-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001492110549 907705518 /nfs/dbraw/zinc/70/55/18/907705518.db2.gz JVFHHXPNLMMBKI-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP CC#CC[N@@H+](C)CCNC(=O)[C@H]1CCn2cncc2C1 ZINC001492308692 907838380 /nfs/dbraw/zinc/83/83/80/907838380.db2.gz FTONQZXCMKIJBH-ZDUSSCGKSA-N 2 1 274.368 0.517 20 30 CCEDMP CC#CCN(C)CCNC(=O)[C@H]1CCn2cncc2C1 ZINC001492308692 907838394 /nfs/dbraw/zinc/83/83/94/907838394.db2.gz FTONQZXCMKIJBH-ZDUSSCGKSA-N 2 1 274.368 0.517 20 30 CCEDMP C=CC[N@@H+](CC)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317490067 908496427 /nfs/dbraw/zinc/49/64/27/908496427.db2.gz MCMCTRHEMVGHIZ-CQSZACIVSA-N 2 1 283.416 0.579 20 30 CCEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001316746759 908763622 /nfs/dbraw/zinc/76/36/22/908763622.db2.gz FWNNIXQEPMVRDV-OAHLLOKOSA-N 2 1 293.411 0.001 20 30 CCEDMP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001316944150 908858888 /nfs/dbraw/zinc/85/88/88/908858888.db2.gz OFWUNWHYUCHHRX-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001316944150 908858901 /nfs/dbraw/zinc/85/89/01/908858901.db2.gz OFWUNWHYUCHHRX-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001317011640 908916517 /nfs/dbraw/zinc/91/65/17/908916517.db2.gz OUZJRITZGGJACA-KGLIPLIRSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001317243962 909082073 /nfs/dbraw/zinc/08/20/73/909082073.db2.gz DHQOSSAFTWKKDX-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317531174 909296975 /nfs/dbraw/zinc/29/69/75/909296975.db2.gz RZVHEMPFWFPPPB-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001317510597 909278317 /nfs/dbraw/zinc/27/83/17/909278317.db2.gz XUGOBYXHYPNCGO-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001317510597 909278330 /nfs/dbraw/zinc/27/83/30/909278330.db2.gz XUGOBYXHYPNCGO-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317811772 909509304 /nfs/dbraw/zinc/50/93/04/909509304.db2.gz QLZQUZNVYKQTMU-CABCVRRESA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317811772 909509316 /nfs/dbraw/zinc/50/93/16/909509316.db2.gz QLZQUZNVYKQTMU-CABCVRRESA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317811772 909509327 /nfs/dbraw/zinc/50/93/27/909509327.db2.gz QLZQUZNVYKQTMU-CABCVRRESA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001318127600 909637606 /nfs/dbraw/zinc/63/76/06/909637606.db2.gz VGQYHLPUPPLLSH-CYBMUJFWSA-N 2 1 269.364 0.348 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001318273447 909685971 /nfs/dbraw/zinc/68/59/71/909685971.db2.gz SGNXPSXOEIYIST-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318351562 909723862 /nfs/dbraw/zinc/72/38/62/909723862.db2.gz NIZFYQSXWWMWPW-GFCCVEGCSA-N 2 1 251.374 0.705 20 30 CCEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001318570753 909818778 /nfs/dbraw/zinc/81/87/78/909818778.db2.gz QMQWKRHZCOTHQC-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001319168115 910016395 /nfs/dbraw/zinc/01/63/95/910016395.db2.gz RYKRIAFVWWJNQJ-KBPBESRZSA-N 2 1 281.400 0.072 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001320216438 910528302 /nfs/dbraw/zinc/52/83/02/910528302.db2.gz KKQYVDIGXSMKNO-UONOGXRCSA-N 2 1 283.416 0.502 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001320242654 910552075 /nfs/dbraw/zinc/55/20/75/910552075.db2.gz OWHCIHSNOMKRGD-LSDHHAIUSA-N 2 1 297.443 0.750 20 30 CCEDMP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001322530264 911847564 /nfs/dbraw/zinc/84/75/64/911847564.db2.gz GCYVIEJLEOQIQS-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCF)CC1 ZINC001329624734 916076695 /nfs/dbraw/zinc/07/66/95/916076695.db2.gz SRTSKZZVFBPRGQ-CYBMUJFWSA-N 2 1 283.391 0.738 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCF)CC1 ZINC001329624734 916076709 /nfs/dbraw/zinc/07/67/09/916076709.db2.gz SRTSKZZVFBPRGQ-CYBMUJFWSA-N 2 1 283.391 0.738 20 30 CCEDMP C=CC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001330585617 916719611 /nfs/dbraw/zinc/71/96/11/916719611.db2.gz YSLOQGSUUPIUSP-CYBMUJFWSA-N 2 1 251.374 0.706 20 30 CCEDMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001330609932 916739957 /nfs/dbraw/zinc/73/99/57/916739957.db2.gz JBCGRPHQXUYAGJ-HDJSIYSDSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[N@@H+](C)CCOCCNC(=O)Cc1[nH]cnc1C ZINC001331160247 917138409 /nfs/dbraw/zinc/13/84/09/917138409.db2.gz AMYPLQPNKTZEIX-UHFFFAOYSA-N 2 1 292.383 0.349 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001331927433 917721222 /nfs/dbraw/zinc/72/12/22/917721222.db2.gz BHIZGTLLOYKAHE-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCC2)C1 ZINC001332407500 918132533 /nfs/dbraw/zinc/13/25/33/918132533.db2.gz DWMDHLNCJVJUCA-OAHLLOKOSA-N 2 1 292.427 0.869 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCC2)C1 ZINC001332407500 918132544 /nfs/dbraw/zinc/13/25/44/918132544.db2.gz DWMDHLNCJVJUCA-OAHLLOKOSA-N 2 1 292.427 0.869 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406249610 919135398 /nfs/dbraw/zinc/13/53/98/919135398.db2.gz ULQFBJYRPOLYNQ-RYUDHWBXSA-N 2 1 289.807 0.290 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(C)CC1 ZINC001340240526 922022784 /nfs/dbraw/zinc/02/27/84/922022784.db2.gz JHDYDIGSYPRVHC-CQSZACIVSA-N 2 1 282.432 0.424 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](CC[NH3+])C1 ZINC001346453404 924219681 /nfs/dbraw/zinc/21/96/81/924219681.db2.gz JERNYDQJGYWWID-ZDUSSCGKSA-N 2 1 266.389 0.322 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001353508048 925855076 /nfs/dbraw/zinc/85/50/76/925855076.db2.gz HWIDOYMCPSFBOX-OLZOCXBDSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001353508048 925855084 /nfs/dbraw/zinc/85/50/84/925855084.db2.gz HWIDOYMCPSFBOX-OLZOCXBDSA-N 2 1 251.374 0.446 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001423254835 927768848 /nfs/dbraw/zinc/76/88/48/927768848.db2.gz ALGIMIOABTWQRG-LBPRGKRZSA-N 2 1 289.807 0.147 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000171764460 350933676 /nfs/dbraw/zinc/93/36/76/350933676.db2.gz URKNGIYYILHYFD-UHFFFAOYSA-N 2 1 286.379 0.812 20 30 CCEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000572149116 358928064 /nfs/dbraw/zinc/92/80/64/358928064.db2.gz VHXNNXJPLHGKPH-CVEARBPZSA-N 2 1 296.459 0.903 20 30 CCEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOCCC#N)CC2)C1 ZINC000590167517 359428413 /nfs/dbraw/zinc/42/84/13/359428413.db2.gz XZRHQWGOJVGNLX-OAHLLOKOSA-N 2 1 280.416 0.628 20 30 CCEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOCCC#N)CC2)C1 ZINC000590167517 359428415 /nfs/dbraw/zinc/42/84/15/359428415.db2.gz XZRHQWGOJVGNLX-OAHLLOKOSA-N 2 1 280.416 0.628 20 30 CCEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@@H+](C)C1CC1 ZINC000594437110 360305478 /nfs/dbraw/zinc/30/54/78/360305478.db2.gz IAZBDNQIOYRNSC-WCQYABFASA-N 2 1 266.389 0.997 20 30 CCEDMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594440990 360309900 /nfs/dbraw/zinc/30/99/00/360309900.db2.gz KLVSOBADVASJLB-RYUDHWBXSA-N 2 1 252.362 0.608 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595623916 360602027 /nfs/dbraw/zinc/60/20/27/360602027.db2.gz YKMLFPYIYNETFY-AWEZNQCLSA-N 2 1 278.400 0.776 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595623916 360602032 /nfs/dbraw/zinc/60/20/32/360602032.db2.gz YKMLFPYIYNETFY-AWEZNQCLSA-N 2 1 278.400 0.776 20 30 CCEDMP C[C@H]1C[NH+]=C(NCc2cccnc2N2CC[NH+](C)CC2)N1 ZINC000262667048 389292740 /nfs/dbraw/zinc/29/27/40/389292740.db2.gz PDIMXKGKMUMYGI-LBPRGKRZSA-N 2 1 288.399 0.271 20 30 CCEDMP [NH2+]=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000264064069 389304123 /nfs/dbraw/zinc/30/41/23/389304123.db2.gz AOUAQYCSMFFTOH-UHFFFAOYSA-N 2 1 288.395 0.692 20 30 CCEDMP [NH2+]=C(NCC[N@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000264064069 389304125 /nfs/dbraw/zinc/30/41/25/389304125.db2.gz AOUAQYCSMFFTOH-UHFFFAOYSA-N 2 1 288.395 0.692 20 30 CCEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])NC)CC1 ZINC000264079989 389305640 /nfs/dbraw/zinc/30/56/40/389305640.db2.gz HBHLUXIQWFOMHX-UHFFFAOYSA-N 2 1 289.427 0.858 20 30 CCEDMP C=CCNC(=O)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158665475 389348215 /nfs/dbraw/zinc/34/82/15/389348215.db2.gz XYMGLIHPJJQTNZ-STQMWFEESA-N 2 1 294.399 0.414 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430550336 389806591 /nfs/dbraw/zinc/80/65/91/389806591.db2.gz ZBWIFBGWFZOZDQ-VXGBXAGGSA-N 2 1 284.404 0.692 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430550336 389806592 /nfs/dbraw/zinc/80/65/92/389806592.db2.gz ZBWIFBGWFZOZDQ-VXGBXAGGSA-N 2 1 284.404 0.692 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430569467 389808297 /nfs/dbraw/zinc/80/82/97/389808297.db2.gz IVMQAHNJFABBAF-WOPDTQHZSA-N 2 1 282.388 0.446 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430569467 389808300 /nfs/dbraw/zinc/80/83/00/389808300.db2.gz IVMQAHNJFABBAF-WOPDTQHZSA-N 2 1 282.388 0.446 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC(F)(F)C[NH3+])CC1 ZINC000417518027 389824997 /nfs/dbraw/zinc/82/49/97/389824997.db2.gz AGPPYMGRCAKITB-UHFFFAOYSA-N 2 1 290.358 0.920 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)C1=O ZINC000647934773 390221771 /nfs/dbraw/zinc/22/17/71/390221771.db2.gz PSTYYEQUOZLDKS-UPJWGTAASA-N 2 1 251.374 0.833 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)C1=O ZINC000647934773 390221774 /nfs/dbraw/zinc/22/17/74/390221774.db2.gz PSTYYEQUOZLDKS-UPJWGTAASA-N 2 1 251.374 0.833 20 30 CCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895346 390711575 /nfs/dbraw/zinc/71/15/75/390711575.db2.gz DKKKXUHCIHMAIT-QWHCGFSZSA-N 2 1 281.400 0.364 20 30 CCEDMP C=C(C)[C@@H](CO)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326414 414710428 /nfs/dbraw/zinc/71/04/28/414710428.db2.gz ZBYWWUUTTHYMNM-ZIAGYGMSSA-N 2 1 256.390 0.966 20 30 CCEDMP C=C(C)[C@@H](CO)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326414 414710429 /nfs/dbraw/zinc/71/04/29/414710429.db2.gz ZBYWWUUTTHYMNM-ZIAGYGMSSA-N 2 1 256.390 0.966 20 30 CCEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000127253798 260795086 /nfs/dbraw/zinc/79/50/86/260795086.db2.gz CIYTXAPPHFCGFV-CYBMUJFWSA-N 2 1 294.399 0.913 20 30 CCEDMP Cc1[nH+]ccn1-c1ccc(CNC2=[NH+]CCN2C)cn1 ZINC000262681898 262782972 /nfs/dbraw/zinc/78/29/72/262782972.db2.gz WNNDFUDMOVWFCJ-UHFFFAOYSA-N 2 1 270.340 0.967 20 30 CCEDMP C=CC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000178962467 329203245 /nfs/dbraw/zinc/20/32/45/329203245.db2.gz HSGJGHFYTLTQBD-ZDUSSCGKSA-N 2 1 272.414 0.661 20 30 CCEDMP C=CCN1CC[C@H]([NH2+][C@H]2CC[NH2+]CC2(C)C)C1=O ZINC000420369349 329762250 /nfs/dbraw/zinc/76/22/50/329762250.db2.gz UZMFFVOJAHCTHI-RYUDHWBXSA-N 2 1 251.374 0.751 20 30 CCEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262481656 330016603 /nfs/dbraw/zinc/01/66/03/330016603.db2.gz RRKIYUFHGBVVGN-CHWSQXEVSA-N 2 1 268.405 0.754 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000262512786 330019054 /nfs/dbraw/zinc/01/90/54/330019054.db2.gz MLMXAYABOQQSMP-AAEUAGOBSA-N 2 1 286.445 0.243 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(C)CCOC1 ZINC000262544950 330020673 /nfs/dbraw/zinc/02/06/73/330020673.db2.gz UTRIGDVZMWJGNX-JSGCOSHPSA-N 2 1 268.405 0.802 20 30 CCEDMP C[C@@H]1C[NH+]=C(NCC2([NH+]3CCCCC3)CCN(C)CC2)N1 ZINC000262669182 330025759 /nfs/dbraw/zinc/02/57/59/330025759.db2.gz QFEXMICNFNGJDH-CQSZACIVSA-N 2 1 293.459 0.874 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424133078 330265378 /nfs/dbraw/zinc/26/53/78/330265378.db2.gz IVWKWAYAIOQFAQ-VXGBXAGGSA-N 2 1 252.362 0.608 20 30 CCEDMP CC[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1CCOC ZINC000424145374 330290293 /nfs/dbraw/zinc/29/02/93/330290293.db2.gz NKZPFKDCLHJNBA-UONOGXRCSA-N 2 1 296.415 0.577 20 30 CCEDMP CC[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1CCOC ZINC000424145374 330290294 /nfs/dbraw/zinc/29/02/94/330290294.db2.gz NKZPFKDCLHJNBA-UONOGXRCSA-N 2 1 296.415 0.577 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000424158039 330305262 /nfs/dbraw/zinc/30/52/62/330305262.db2.gz QFCJNNZMYMYOPA-QWHCGFSZSA-N 2 1 264.373 0.704 20 30 CCEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000424158039 330305263 /nfs/dbraw/zinc/30/52/63/330305263.db2.gz QFCJNNZMYMYOPA-QWHCGFSZSA-N 2 1 264.373 0.704 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000490655432 332100366 /nfs/dbraw/zinc/10/03/66/332100366.db2.gz AIYJBHZENFSHHP-CQSZACIVSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC000491267768 332177771 /nfs/dbraw/zinc/17/77/71/332177771.db2.gz VEVATSXYXJBJRT-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000491537904 332232665 /nfs/dbraw/zinc/23/26/65/332232665.db2.gz UTDUKKRQMCFLFR-OKILXGFUSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000491537904 332232666 /nfs/dbraw/zinc/23/26/66/332232666.db2.gz UTDUKKRQMCFLFR-OKILXGFUSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000491537904 332232668 /nfs/dbraw/zinc/23/26/68/332232668.db2.gz UTDUKKRQMCFLFR-OKILXGFUSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000491694592 332290459 /nfs/dbraw/zinc/29/04/59/332290459.db2.gz LKHUVRMMOWPHMG-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000491694592 332290461 /nfs/dbraw/zinc/29/04/61/332290461.db2.gz LKHUVRMMOWPHMG-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000491694592 332290463 /nfs/dbraw/zinc/29/04/63/332290463.db2.gz LKHUVRMMOWPHMG-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000576696544 335235734 /nfs/dbraw/zinc/23/57/34/335235734.db2.gz KHSPCSLAWVDLLO-OAHLLOKOSA-N 2 1 280.416 0.409 20 30 CCEDMP C#CCNC(=S)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000758210862 581727539 /nfs/dbraw/zinc/72/75/39/581727539.db2.gz TWWXMYFVYNCTGK-UHFFFAOYSA-N 2 1 289.408 0.753 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981193951 613003894 /nfs/dbraw/zinc/00/38/94/613003894.db2.gz JKSUKUGMRYQMMC-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981193951 613003896 /nfs/dbraw/zinc/00/38/96/613003896.db2.gz JKSUKUGMRYQMMC-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981193951 613003898 /nfs/dbraw/zinc/00/38/98/613003898.db2.gz JKSUKUGMRYQMMC-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000851661194 613073576 /nfs/dbraw/zinc/07/35/76/613073576.db2.gz GIIQNCUNHDBVNZ-UHFFFAOYSA-N 2 1 264.373 0.074 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C(=O)OC)n(C)c1 ZINC000883131362 613079213 /nfs/dbraw/zinc/07/92/13/613079213.db2.gz YAYODXIXDVOGFT-UHFFFAOYSA-N 2 1 277.368 0.856 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C(=O)OC)n(C)c1 ZINC000883131362 613079215 /nfs/dbraw/zinc/07/92/15/613079215.db2.gz YAYODXIXDVOGFT-UHFFFAOYSA-N 2 1 277.368 0.856 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000950336818 612991442 /nfs/dbraw/zinc/99/14/42/612991442.db2.gz YRHKIRSRCULXQN-INIZCTEOSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000980833179 613004867 /nfs/dbraw/zinc/00/48/67/613004867.db2.gz CZXROCWIQOQQGW-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980833179 613004868 /nfs/dbraw/zinc/00/48/68/613004868.db2.gz CZXROCWIQOQQGW-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980833179 613004869 /nfs/dbraw/zinc/00/48/69/613004869.db2.gz CZXROCWIQOQQGW-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977602526 613037939 /nfs/dbraw/zinc/03/79/39/613037939.db2.gz RQXGECIDLYQIDE-KBPBESRZSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000843101704 613059291 /nfs/dbraw/zinc/05/92/91/613059291.db2.gz PVVPORHOYPUKIL-IAGOWNOFSA-N 2 1 290.407 0.843 20 30 CCEDMP C#CCC[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000843101704 613059293 /nfs/dbraw/zinc/05/92/93/613059293.db2.gz PVVPORHOYPUKIL-IAGOWNOFSA-N 2 1 290.407 0.843 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891920845 613074720 /nfs/dbraw/zinc/07/47/20/613074720.db2.gz FGQSKBOWPDSAEF-DZGCQCFKSA-N 2 1 278.400 0.192 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905274228 613078559 /nfs/dbraw/zinc/07/85/59/613078559.db2.gz OBTAAWKDRFVDTO-AWEZNQCLSA-N 2 1 268.401 0.587 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905274228 613078560 /nfs/dbraw/zinc/07/85/60/613078560.db2.gz OBTAAWKDRFVDTO-AWEZNQCLSA-N 2 1 268.401 0.587 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972734169 613081485 /nfs/dbraw/zinc/08/14/85/613081485.db2.gz WLTYHWCZYVVFOT-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972734169 613081487 /nfs/dbraw/zinc/08/14/87/613081487.db2.gz WLTYHWCZYVVFOT-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972734169 613081489 /nfs/dbraw/zinc/08/14/89/613081489.db2.gz WLTYHWCZYVVFOT-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000971675834 613083632 /nfs/dbraw/zinc/08/36/32/613083632.db2.gz BQKPHHGALDGOKR-KGLIPLIRSA-N 2 1 263.385 0.493 20 30 CCEDMP C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000847023022 613106804 /nfs/dbraw/zinc/10/68/04/613106804.db2.gz KOCKZYLMSKRQIM-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC)C2)CC1 ZINC000922906917 613135459 /nfs/dbraw/zinc/13/54/59/613135459.db2.gz FVGQVOFOSQATIF-AWEZNQCLSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000982113060 613141220 /nfs/dbraw/zinc/14/12/20/613141220.db2.gz IMSVAMZXHMESNR-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982113060 613141222 /nfs/dbraw/zinc/14/12/22/613141222.db2.gz IMSVAMZXHMESNR-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982113060 613141224 /nfs/dbraw/zinc/14/12/24/613141224.db2.gz IMSVAMZXHMESNR-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C#C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000863564394 613151087 /nfs/dbraw/zinc/15/10/87/613151087.db2.gz WKTPJHOTKYTWHC-GJZGRUSLSA-N 2 1 266.385 0.461 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000981954972 613151451 /nfs/dbraw/zinc/15/14/51/613151451.db2.gz KPLIDNQGPHYPRF-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000981954972 613151452 /nfs/dbraw/zinc/15/14/52/613151452.db2.gz KPLIDNQGPHYPRF-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000981954972 613151455 /nfs/dbraw/zinc/15/14/55/613151455.db2.gz KPLIDNQGPHYPRF-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000981954972 613151458 /nfs/dbraw/zinc/15/14/58/613151458.db2.gz KPLIDNQGPHYPRF-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000884396308 613169755 /nfs/dbraw/zinc/16/97/55/613169755.db2.gz ZNRGDMGHRCLZDB-QWHCGFSZSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000884396308 613169756 /nfs/dbraw/zinc/16/97/56/613169756.db2.gz ZNRGDMGHRCLZDB-QWHCGFSZSA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=S)NC2CC[NH+](C)CC2)C1 ZINC000905571741 613175178 /nfs/dbraw/zinc/17/51/78/613175178.db2.gz RXZRKLOFNWBPTM-CQSZACIVSA-N 2 1 294.468 0.642 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=S)NC2CC[NH+](C)CC2)C1 ZINC000905571741 613175179 /nfs/dbraw/zinc/17/51/79/613175179.db2.gz RXZRKLOFNWBPTM-CQSZACIVSA-N 2 1 294.468 0.642 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000923567875 613181908 /nfs/dbraw/zinc/18/19/08/613181908.db2.gz WTESWPPKKOFQKO-KBPBESRZSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000923567875 613181909 /nfs/dbraw/zinc/18/19/09/613181909.db2.gz WTESWPPKKOFQKO-KBPBESRZSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)[C@H]2CCSC2)C1 ZINC000923567875 613181910 /nfs/dbraw/zinc/18/19/10/613181910.db2.gz WTESWPPKKOFQKO-KBPBESRZSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)[C@H]2CCSC2)C1 ZINC000923567875 613181911 /nfs/dbraw/zinc/18/19/11/613181911.db2.gz WTESWPPKKOFQKO-KBPBESRZSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC000829583352 613182506 /nfs/dbraw/zinc/18/25/06/613182506.db2.gz ZWXKILOHIFOIKO-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC000829583352 613182507 /nfs/dbraw/zinc/18/25/07/613182507.db2.gz ZWXKILOHIFOIKO-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CCC)[NH+](C)C)C1 ZINC000923564653 613188999 /nfs/dbraw/zinc/18/89/99/613188999.db2.gz AYBFGWSINLEKBH-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CCC)[NH+](C)C)C1 ZINC000923564653 613189000 /nfs/dbraw/zinc/18/90/00/613189000.db2.gz AYBFGWSINLEKBH-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827320070 613197644 /nfs/dbraw/zinc/19/76/44/613197644.db2.gz QQSBXETVVQEOGG-KKUMJFAQSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827320070 613197645 /nfs/dbraw/zinc/19/76/45/613197645.db2.gz QQSBXETVVQEOGG-KKUMJFAQSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000827320070 613197646 /nfs/dbraw/zinc/19/76/46/613197646.db2.gz QQSBXETVVQEOGG-KKUMJFAQSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000827320070 613197647 /nfs/dbraw/zinc/19/76/47/613197647.db2.gz QQSBXETVVQEOGG-KKUMJFAQSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978185285 613308808 /nfs/dbraw/zinc/30/88/08/613308808.db2.gz VOJTXKUIBOGREI-RYPNDVFKSA-N 2 1 275.396 0.254 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978185285 613308809 /nfs/dbraw/zinc/30/88/09/613308809.db2.gz VOJTXKUIBOGREI-RYPNDVFKSA-N 2 1 275.396 0.254 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978185285 613308811 /nfs/dbraw/zinc/30/88/11/613308811.db2.gz VOJTXKUIBOGREI-RYPNDVFKSA-N 2 1 275.396 0.254 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258921 613324741 /nfs/dbraw/zinc/32/47/41/613324741.db2.gz KMXRABRQUMADLA-AWEZNQCLSA-N 2 1 286.379 0.732 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979047393 613343778 /nfs/dbraw/zinc/34/37/78/613343778.db2.gz FWUQSYDCRPASKJ-ZQDZILKHSA-N 2 1 277.412 0.808 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979047393 613343779 /nfs/dbraw/zinc/34/37/79/613343779.db2.gz FWUQSYDCRPASKJ-ZQDZILKHSA-N 2 1 277.412 0.808 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979047393 613343780 /nfs/dbraw/zinc/34/37/80/613343780.db2.gz FWUQSYDCRPASKJ-ZQDZILKHSA-N 2 1 277.412 0.808 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970712386 613348602 /nfs/dbraw/zinc/34/86/02/613348602.db2.gz NVRSWODYUGOOPJ-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CCCF)CC1 ZINC000911587471 613363849 /nfs/dbraw/zinc/36/38/49/613363849.db2.gz FUPQSMHVAXDOTH-UHFFFAOYSA-N 2 1 271.380 0.998 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000862107175 613366466 /nfs/dbraw/zinc/36/64/66/613366466.db2.gz HPTADXQIFGCLRF-UHFFFAOYSA-N 2 1 267.373 0.084 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+](C)CCCOC ZINC000876770190 613387813 /nfs/dbraw/zinc/38/78/13/613387813.db2.gz ASLGPDKLPRFULM-LLVKDONJSA-N 2 1 277.796 0.541 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000876727692 613387976 /nfs/dbraw/zinc/38/79/76/613387976.db2.gz QXXYNRRKANWOEY-GHMZBOCLSA-N 2 1 259.781 0.914 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000876756580 613388462 /nfs/dbraw/zinc/38/84/62/613388462.db2.gz VNVVSWWEQIXGQE-WDEREUQCSA-N 2 1 275.780 0.293 20 30 CCEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC000957413706 613477976 /nfs/dbraw/zinc/47/79/76/613477976.db2.gz ROIDJABDTPZOBX-HNNXBMFYSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](C)COC ZINC000923387866 613651414 /nfs/dbraw/zinc/65/14/14/613651414.db2.gz ZVQLOFPDXUKYOO-CHWSQXEVSA-N 2 1 254.374 0.888 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC000872201215 613675788 /nfs/dbraw/zinc/67/57/88/613675788.db2.gz YLZICMGOVMQHRU-CYBMUJFWSA-N 2 1 256.390 0.748 20 30 CCEDMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852885831 614271847 /nfs/dbraw/zinc/27/18/47/614271847.db2.gz ZYQZGTASPOGVOH-OAHLLOKOSA-N 2 1 277.412 0.788 20 30 CCEDMP CCC[N@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852915156 614708092 /nfs/dbraw/zinc/70/80/92/614708092.db2.gz RRJRUOMCPNHNRN-CQSZACIVSA-N 2 1 263.385 0.590 20 30 CCEDMP CCC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884412876 614747787 /nfs/dbraw/zinc/74/77/87/614747787.db2.gz CLNRRHXLCBZSLL-WJEHIRDRSA-N 2 1 290.411 0.726 20 30 CCEDMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886273569 615952599 /nfs/dbraw/zinc/95/25/99/615952599.db2.gz BYKMKZAOTWEMEY-GOEBONIOSA-N 2 1 295.427 0.820 20 30 CCEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886273569 615952601 /nfs/dbraw/zinc/95/26/01/615952601.db2.gz BYKMKZAOTWEMEY-GOEBONIOSA-N 2 1 295.427 0.820 20 30 CCEDMP C[N@@H+](CCNC(=O)C#CC1CC[NH2+]CC1)C1CCCC1 ZINC000852865930 616090673 /nfs/dbraw/zinc/09/06/73/616090673.db2.gz DAGXALBYJAYEKZ-UHFFFAOYSA-N 2 1 277.412 0.980 20 30 CCEDMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801963 616125601 /nfs/dbraw/zinc/12/56/01/616125601.db2.gz KXBPIWCDUHXWRQ-HUUCEWRRSA-N 2 1 286.379 0.389 20 30 CCEDMP C[N@H+](C[C@@H](O)C[NH2+]CCNc1ncccc1C#N)C1CC1 ZINC000818974494 616131365 /nfs/dbraw/zinc/13/13/65/616131365.db2.gz BDZOHBZJOJUBOT-AWEZNQCLSA-N 2 1 289.383 0.410 20 30 CCEDMP C[N@@H+](C[C@@H](O)C[NH2+]CCNc1ncccc1C#N)C1CC1 ZINC000818974494 616131366 /nfs/dbraw/zinc/13/13/66/616131366.db2.gz BDZOHBZJOJUBOT-AWEZNQCLSA-N 2 1 289.383 0.410 20 30 CCEDMP COCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000161527759 622860795 /nfs/dbraw/zinc/86/07/95/622860795.db2.gz JLZNSFOHVNBXFP-LBPRGKRZSA-N 2 1 256.394 0.658 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001023291111 622984160 /nfs/dbraw/zinc/98/41/60/622984160.db2.gz FASCOFXYHCZUDR-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023291111 622984180 /nfs/dbraw/zinc/98/41/80/622984180.db2.gz FASCOFXYHCZUDR-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023291111 622984185 /nfs/dbraw/zinc/98/41/85/622984185.db2.gz FASCOFXYHCZUDR-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023291111 622984199 /nfs/dbraw/zinc/98/41/99/622984199.db2.gz FASCOFXYHCZUDR-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023291111 622984208 /nfs/dbraw/zinc/98/42/08/622984208.db2.gz FASCOFXYHCZUDR-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023452452 623033790 /nfs/dbraw/zinc/03/37/90/623033790.db2.gz ZUUVHSRBZCJDSJ-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023452452 623033796 /nfs/dbraw/zinc/03/37/96/623033796.db2.gz ZUUVHSRBZCJDSJ-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023452452 623033802 /nfs/dbraw/zinc/03/38/02/623033802.db2.gz ZUUVHSRBZCJDSJ-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023452452 623033805 /nfs/dbraw/zinc/03/38/05/623033805.db2.gz ZUUVHSRBZCJDSJ-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C[NH+]=C(NCCN1CCC1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261949611 624880593 /nfs/dbraw/zinc/88/05/93/624880593.db2.gz GYKGNZHEFCWWEZ-TZMCWYRMSA-N 3 1 279.432 0.340 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCOC1 ZINC000261968231 624929965 /nfs/dbraw/zinc/92/99/65/624929965.db2.gz CFNYOHVCMNHHEL-RYUDHWBXSA-N 2 1 254.378 0.412 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001022452551 624997560 /nfs/dbraw/zinc/99/75/60/624997560.db2.gz NWRDRVIVXIAGBE-NHGZVPIDSA-N 2 1 291.395 0.272 20 30 CCEDMP C[C@]1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCCO1 ZINC000151248057 625015811 /nfs/dbraw/zinc/01/58/11/625015811.db2.gz SERSLPCJOJXGJQ-CQSZACIVSA-N 2 1 284.404 0.182 20 30 CCEDMP C[NH+]=C(NCc1cc(C)no1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083094264 630968209 /nfs/dbraw/zinc/96/82/09/630968209.db2.gz OMGZCQVGHQYWQI-NSHDSACASA-N 2 1 277.372 0.885 20 30 CCEDMP C[NH+]=C(NCc1cc(C)no1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083094264 630968218 /nfs/dbraw/zinc/96/82/18/630968218.db2.gz OMGZCQVGHQYWQI-NSHDSACASA-N 2 1 277.372 0.885 20 30 CCEDMP C[NH+]=C(NC[C@H](C)N(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261962267 631735658 /nfs/dbraw/zinc/73/56/58/631735658.db2.gz KNFNDCBUEAOGJD-SGMGOOAPSA-N 3 1 281.448 0.584 20 30 CCEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261962267 631735660 /nfs/dbraw/zinc/73/56/60/631735660.db2.gz KNFNDCBUEAOGJD-SGMGOOAPSA-N 3 1 281.448 0.584 20 30 CCEDMP C[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261977794 631741011 /nfs/dbraw/zinc/74/10/11/631741011.db2.gz OBPZAQIHFJWMES-DGCLKSJQSA-N 2 1 280.416 0.549 20 30 CCEDMP C[C@@H]1CCCN(C(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303721243 632490595 /nfs/dbraw/zinc/49/05/95/632490595.db2.gz XKEJBITVSJXZGK-CYBMUJFWSA-N 2 1 268.405 0.755 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000985752579 632635659 /nfs/dbraw/zinc/63/56/59/632635659.db2.gz WHPQJARPLYVTOK-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985752579 632635663 /nfs/dbraw/zinc/63/56/63/632635663.db2.gz WHPQJARPLYVTOK-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985752579 632635667 /nfs/dbraw/zinc/63/56/67/632635667.db2.gz WHPQJARPLYVTOK-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014922051 637074827 /nfs/dbraw/zinc/07/48/27/637074827.db2.gz YUHVACPOVRMIID-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014922051 637074828 /nfs/dbraw/zinc/07/48/28/637074828.db2.gz YUHVACPOVRMIID-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014922051 637074832 /nfs/dbraw/zinc/07/48/32/637074832.db2.gz YUHVACPOVRMIID-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014922051 637074834 /nfs/dbraw/zinc/07/48/34/637074834.db2.gz YUHVACPOVRMIID-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP Cc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)on1 ZINC000170911872 637104925 /nfs/dbraw/zinc/10/49/25/637104925.db2.gz LODWCZZDQXEFDQ-UHFFFAOYSA-N 2 1 281.360 0.110 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995828461 638802360 /nfs/dbraw/zinc/80/23/60/638802360.db2.gz YOXRIYIFQRJFBV-MGPQQGTHSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC000996415115 638817840 /nfs/dbraw/zinc/81/78/40/638817840.db2.gz SABYRFBEMDAKQZ-AWEZNQCLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014471417 650455169 /nfs/dbraw/zinc/45/51/69/650455169.db2.gz WALAGSKWZXITIK-UONOGXRCSA-N 2 1 261.369 0.152 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014471417 650455170 /nfs/dbraw/zinc/45/51/70/650455170.db2.gz WALAGSKWZXITIK-UONOGXRCSA-N 2 1 261.369 0.152 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014482494 650456299 /nfs/dbraw/zinc/45/62/99/650456299.db2.gz GNYVGQTZIRIUBU-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014482494 650456303 /nfs/dbraw/zinc/45/63/03/650456303.db2.gz GNYVGQTZIRIUBU-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014482494 650456304 /nfs/dbraw/zinc/45/63/04/650456304.db2.gz GNYVGQTZIRIUBU-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998813694 638944085 /nfs/dbraw/zinc/94/40/85/638944085.db2.gz XKUFGKREXCMZIO-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998813694 638944087 /nfs/dbraw/zinc/94/40/87/638944087.db2.gz XKUFGKREXCMZIO-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000998902049 638948608 /nfs/dbraw/zinc/94/86/08/638948608.db2.gz RMYAPURBVSPTRH-JXQTWKCFSA-N 2 1 286.379 0.973 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000998902051 638948833 /nfs/dbraw/zinc/94/88/33/638948833.db2.gz RMYAPURBVSPTRH-RUXDESIVSA-N 2 1 286.379 0.973 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999295048 638972439 /nfs/dbraw/zinc/97/24/39/638972439.db2.gz FZCIMAPLLNBPBX-YMAMQOFZSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999295048 638972441 /nfs/dbraw/zinc/97/24/41/638972441.db2.gz FZCIMAPLLNBPBX-YMAMQOFZSA-N 2 1 293.411 0.308 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015652666 650601152 /nfs/dbraw/zinc/60/11/52/650601152.db2.gz HCMREKBVIRNHBO-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C[C@@H]1C[N@H+](CCCNC2=[NH+]CCN2C)C[C@H](C)O1 ZINC000848983529 643691165 /nfs/dbraw/zinc/69/11/65/643691165.db2.gz HVPZESLAQSEPEM-TXEJJXNPSA-N 2 1 254.378 0.377 20 30 CCEDMP C[C@H]1C[N@@H+](CCC[NH+]=C(N(C)C)N(C)C)CCCO1 ZINC000849022585 643702910 /nfs/dbraw/zinc/70/29/10/643702910.db2.gz LOZPCPZAELSVHQ-ZDUSSCGKSA-N 2 1 270.421 0.967 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000852877214 644037237 /nfs/dbraw/zinc/03/72/37/644037237.db2.gz CAMGVSGWTZZRGL-INIZCTEOSA-N 2 1 298.390 0.558 20 30 CCEDMP C[C@H](CNC(=[NH2+])N1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000303907827 649826935 /nfs/dbraw/zinc/82/69/35/649826935.db2.gz XDAHANFDWDVCRW-CHWSQXEVSA-N 2 1 268.405 0.896 20 30 CCEDMP CCn1cnnc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303900005 649826990 /nfs/dbraw/zinc/82/69/90/649826990.db2.gz RYFGIFDNFGUFRE-LLVKDONJSA-N 2 1 279.392 0.187 20 30 CCEDMP COC(C)(C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304469828 649836306 /nfs/dbraw/zinc/83/63/06/649836306.db2.gz CXHIVPDTOVZNNB-UHFFFAOYSA-N 2 1 272.393 0.038 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](C)C1 ZINC000304751636 649838407 /nfs/dbraw/zinc/83/84/07/649838407.db2.gz JMSODNBWLQWCHQ-UONOGXRCSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000304751636 649838409 /nfs/dbraw/zinc/83/84/09/649838409.db2.gz JMSODNBWLQWCHQ-UONOGXRCSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000304751636 649838411 /nfs/dbraw/zinc/83/84/11/649838411.db2.gz JMSODNBWLQWCHQ-UONOGXRCSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCO[C@@H]1CCOC1 ZINC000305015470 649840636 /nfs/dbraw/zinc/84/06/36/649840636.db2.gz LUNZYHYXKXCEOP-UONOGXRCSA-N 2 1 298.431 0.571 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC=C)CC1 ZINC001039042237 790450239 /nfs/dbraw/zinc/45/02/39/790450239.db2.gz NTXGGFZRTHODRN-HNNXBMFYSA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC=C)CC1 ZINC001039042237 790450248 /nfs/dbraw/zinc/45/02/48/790450248.db2.gz NTXGGFZRTHODRN-HNNXBMFYSA-N 2 1 275.396 0.708 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001100418570 790581908 /nfs/dbraw/zinc/58/19/08/790581908.db2.gz AFHPPLKCNCOQOC-YMAMQOFZSA-N 2 1 277.412 0.978 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266482742 790774957 /nfs/dbraw/zinc/77/49/57/790774957.db2.gz HUKAHSDDRCROCM-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266482742 790774963 /nfs/dbraw/zinc/77/49/63/790774963.db2.gz HUKAHSDDRCROCM-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266482742 790774968 /nfs/dbraw/zinc/77/49/68/790774968.db2.gz HUKAHSDDRCROCM-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266544898 790906203 /nfs/dbraw/zinc/90/62/03/790906203.db2.gz KYCZUTCAHYLWNE-OLZOCXBDSA-N 2 1 251.374 0.398 20 30 CCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266632957 791059559 /nfs/dbraw/zinc/05/95/59/791059559.db2.gz XMPMOUCZDOPKHD-RBSFLKMASA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCC)C1 ZINC001266690314 791144242 /nfs/dbraw/zinc/14/42/42/791144242.db2.gz HRAYAOMQYKNUPG-ZNMIVQPWSA-N 2 1 293.411 0.357 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCC)C1 ZINC001266690314 791144247 /nfs/dbraw/zinc/14/42/47/791144247.db2.gz HRAYAOMQYKNUPG-ZNMIVQPWSA-N 2 1 293.411 0.357 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)Cc2cncn2C)C1 ZINC001266767431 791224188 /nfs/dbraw/zinc/22/41/88/791224188.db2.gz NLHRQLSQJARFME-AWEZNQCLSA-N 2 1 288.395 0.814 20 30 CCEDMP CC#CC[N@@H+](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001267203161 791668356 /nfs/dbraw/zinc/66/83/56/791668356.db2.gz PCLAJFKAYFLIMP-UHFFFAOYSA-N 2 1 295.427 0.416 20 30 CCEDMP COc1cc(C#N)ccc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234988751 806331959 /nfs/dbraw/zinc/33/19/59/806331959.db2.gz NZTPZBFEDUYNIY-INIZCTEOSA-N 2 1 286.379 0.704 20 30 CCEDMP N#CC1(C[C@@H](O)C[NH2+][C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001120511022 798841583 /nfs/dbraw/zinc/84/15/83/798841583.db2.gz CMJHJFKHKZDWEY-WCQYABFASA-N 2 1 260.341 0.842 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001121903511 799088542 /nfs/dbraw/zinc/08/85/42/799088542.db2.gz HVBLAYMBJSBFPR-QWHCGFSZSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC001121903511 799088550 /nfs/dbraw/zinc/08/85/50/799088550.db2.gz HVBLAYMBJSBFPR-QWHCGFSZSA-N 2 1 251.374 0.588 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCN(C)CC1 ZINC001143237556 800214953 /nfs/dbraw/zinc/21/49/53/800214953.db2.gz NEXSTFIOVMEVFD-HNNXBMFYSA-N 2 1 294.443 0.391 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)CCN1CC[NH+](C)CC1 ZINC001143237556 800214959 /nfs/dbraw/zinc/21/49/59/800214959.db2.gz NEXSTFIOVMEVFD-HNNXBMFYSA-N 2 1 294.443 0.391 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CCN1CC[NH+](C)CC1 ZINC001143237556 800214965 /nfs/dbraw/zinc/21/49/65/800214965.db2.gz NEXSTFIOVMEVFD-HNNXBMFYSA-N 2 1 294.443 0.391 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149889484 800306351 /nfs/dbraw/zinc/30/63/51/800306351.db2.gz OISHPJBEQRBKEN-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150185334 800323232 /nfs/dbraw/zinc/32/32/32/800323232.db2.gz CJCJXKHXJLZZRO-AWEZNQCLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150185334 800323240 /nfs/dbraw/zinc/32/32/40/800323240.db2.gz CJCJXKHXJLZZRO-AWEZNQCLSA-N 2 1 293.411 0.169 20 30 CCEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001151044328 800390317 /nfs/dbraw/zinc/39/03/17/800390317.db2.gz QMMRMTITNUUVGO-HNNXBMFYSA-N 2 1 286.379 0.716 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001156524860 801179818 /nfs/dbraw/zinc/17/98/18/801179818.db2.gz DYOCUFISSRSTDR-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCC ZINC001156524860 801179810 /nfs/dbraw/zinc/17/98/10/801179810.db2.gz DYOCUFISSRSTDR-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001156524860 801179815 /nfs/dbraw/zinc/17/98/15/801179815.db2.gz DYOCUFISSRSTDR-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP N#Cc1c2c(cnc1-n1cnc(C[NH3+])cc1=N)C[NH2+]CCC2 ZINC001156619559 801197964 /nfs/dbraw/zinc/19/79/64/801197964.db2.gz FQITYHAMYXQOPU-UHFFFAOYSA-N 2 1 295.350 0.113 20 30 CCEDMP CCCCCCCNC(=S)NCC[NH2+]CC[NH3+] ZINC001239388171 806895368 /nfs/dbraw/zinc/89/53/68/806895368.db2.gz FJELPHUNPYWOFY-UHFFFAOYSA-N 2 1 260.451 0.969 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCO)CC1 ZINC001157091827 801297647 /nfs/dbraw/zinc/29/76/47/801297647.db2.gz DHNSFHGQQIWKJT-CQSZACIVSA-N 2 1 295.427 0.151 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158029751 801555477 /nfs/dbraw/zinc/55/54/77/801555477.db2.gz KXBCWIONYNLHCO-UONOGXRCSA-N 2 1 263.385 0.590 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158412567 801637254 /nfs/dbraw/zinc/63/72/54/801637254.db2.gz PKJOAWXCTKURHY-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158506542 801660568 /nfs/dbraw/zinc/66/05/68/801660568.db2.gz LUBYVJNOOVBMOM-HUUCEWRRSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158750594 801698467 /nfs/dbraw/zinc/69/84/67/801698467.db2.gz OOAPOPDHBMUPIC-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCC ZINC001160209253 801920959 /nfs/dbraw/zinc/92/09/59/801920959.db2.gz FPLITZFJPBYEQN-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCC ZINC001160209253 801920964 /nfs/dbraw/zinc/92/09/64/801920964.db2.gz FPLITZFJPBYEQN-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160861973 802035295 /nfs/dbraw/zinc/03/52/95/802035295.db2.gz FESZIVLKGOAEKW-ZIAGYGMSSA-N 2 1 263.385 0.732 20 30 CCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163939491 802636769 /nfs/dbraw/zinc/63/67/69/802636769.db2.gz BBDJGTVWQFBCMV-AWEZNQCLSA-N 2 1 293.411 0.216 20 30 CCEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163939491 802636774 /nfs/dbraw/zinc/63/67/74/802636774.db2.gz BBDJGTVWQFBCMV-AWEZNQCLSA-N 2 1 293.411 0.216 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164536344 802758515 /nfs/dbraw/zinc/75/85/15/802758515.db2.gz RHTVOPCMKRKRRM-AWEZNQCLSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001165270494 802809192 /nfs/dbraw/zinc/80/91/92/802809192.db2.gz DWKVLHCAWHODHG-AWEZNQCLSA-N 2 1 288.395 0.873 20 30 CCEDMP C#CCC[NH2+][C@H](CC)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001267805837 811800752 /nfs/dbraw/zinc/80/07/52/811800752.db2.gz JBKSKHUGMNZLGN-CYBMUJFWSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007720 811804450 /nfs/dbraw/zinc/80/44/50/811804450.db2.gz DTPNTHGPSPIKEW-KFWWJZLASA-N 2 1 277.412 0.646 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028538318 812828540 /nfs/dbraw/zinc/82/85/40/812828540.db2.gz BMKLEAWGWVNTOA-GDBMZVCRSA-N 2 1 289.423 0.790 20 30 CCEDMP N#Cc1cncc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205228363 803127220 /nfs/dbraw/zinc/12/72/20/803127220.db2.gz DOZYYBATJJNWMI-AWEZNQCLSA-N 2 1 260.341 0.629 20 30 CCEDMP C=CCn1cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cn1 ZINC001205231485 803129174 /nfs/dbraw/zinc/12/91/74/803129174.db2.gz YLKFRSZGDQIKCC-CQSZACIVSA-N 2 1 264.373 0.745 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215540016 803818550 /nfs/dbraw/zinc/81/85/50/803818550.db2.gz GMSDYVYRBVYPNN-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801978 803857733 /nfs/dbraw/zinc/85/77/33/803857733.db2.gz ZVWOQSXBYIFQJT-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801978 803857743 /nfs/dbraw/zinc/85/77/43/803857743.db2.gz ZVWOQSXBYIFQJT-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP N#Cc1ccccc1OCCCNC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220684962 804648774 /nfs/dbraw/zinc/64/87/74/804648774.db2.gz ILVXHJUWLLIGQX-LBPRGKRZSA-N 2 1 276.340 0.119 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798650 804669906 /nfs/dbraw/zinc/66/99/06/804669906.db2.gz DICWJXYHRMJPTF-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220825897 804675588 /nfs/dbraw/zinc/67/55/88/804675588.db2.gz IOAODXCLWIHCBH-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220825897 804675590 /nfs/dbraw/zinc/67/55/90/804675590.db2.gz IOAODXCLWIHCBH-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220825897 804675592 /nfs/dbraw/zinc/67/55/92/804675592.db2.gz IOAODXCLWIHCBH-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220988888 804714414 /nfs/dbraw/zinc/71/44/14/804714414.db2.gz AGOYGCSMJSNMDJ-CABCVRRESA-N 2 1 295.427 0.600 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220988888 804714419 /nfs/dbraw/zinc/71/44/19/804714419.db2.gz AGOYGCSMJSNMDJ-CABCVRRESA-N 2 1 295.427 0.600 20 30 CCEDMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC#CC[NH+](C)C ZINC001221437543 804816376 /nfs/dbraw/zinc/81/63/76/804816376.db2.gz WEVGZYHHGAEYCL-LSDHHAIUSA-N 2 1 294.443 0.971 20 30 CCEDMP C[N@H+]1[C@@H]2C[C@@H](OC3CC[NH+](C)CC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001222504585 804907778 /nfs/dbraw/zinc/90/77/78/804907778.db2.gz VYEQGRXERCTXIZ-KLLCGCCRSA-N 2 1 252.358 0.710 20 30 CCEDMP C[N@@H+]1[C@@H]2C[C@@H](OC3CC[NH+](C)CC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001222504585 804907783 /nfs/dbraw/zinc/90/77/83/804907783.db2.gz VYEQGRXERCTXIZ-KLLCGCCRSA-N 2 1 252.358 0.710 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246019739 807119224 /nfs/dbraw/zinc/11/92/24/807119224.db2.gz JNEVBIIJHUANPB-MGPQQGTHSA-N 2 1 254.374 0.304 20 30 CCEDMP C#CCCN1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C1=O ZINC001246351935 807229921 /nfs/dbraw/zinc/22/99/21/807229921.db2.gz JJRDOYNTZYPBJM-IHRRRGAJSA-N 2 1 263.385 0.731 20 30 CCEDMP C=CC[NH+]1CCN(C[C@@H](O)C[NH+](CC)CC)CC1 ZINC001253186811 808023491 /nfs/dbraw/zinc/02/34/91/808023491.db2.gz SAEDSBOJVLNPAR-AWEZNQCLSA-N 2 1 255.406 0.493 20 30 CCEDMP C=C[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001253576977 808086161 /nfs/dbraw/zinc/08/61/61/808086161.db2.gz JIHRDBKIDKRWLG-QLFBSQMISA-N 2 1 284.400 0.202 20 30 CCEDMP C=C[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001253576977 808086165 /nfs/dbraw/zinc/08/61/65/808086165.db2.gz JIHRDBKIDKRWLG-QLFBSQMISA-N 2 1 284.400 0.202 20 30 CCEDMP C=C[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001253576977 808086170 /nfs/dbraw/zinc/08/61/70/808086170.db2.gz JIHRDBKIDKRWLG-QLFBSQMISA-N 2 1 284.400 0.202 20 30 CCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cncc1C ZINC001278865337 808356211 /nfs/dbraw/zinc/35/62/11/808356211.db2.gz VWZYTKNZZSMAAL-AWEZNQCLSA-N 2 1 294.399 0.519 20 30 CCEDMP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001278865337 808356220 /nfs/dbraw/zinc/35/62/20/808356220.db2.gz VWZYTKNZZSMAAL-AWEZNQCLSA-N 2 1 294.399 0.519 20 30 CCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001278865337 808356227 /nfs/dbraw/zinc/35/62/27/808356227.db2.gz VWZYTKNZZSMAAL-AWEZNQCLSA-N 2 1 294.399 0.519 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001278906633 808459326 /nfs/dbraw/zinc/45/93/26/808459326.db2.gz BAJNASBZVINSRA-UHFFFAOYSA-N 2 1 297.443 0.703 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001278906633 808459330 /nfs/dbraw/zinc/45/93/30/808459330.db2.gz BAJNASBZVINSRA-UHFFFAOYSA-N 2 1 297.443 0.703 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001279205017 808534698 /nfs/dbraw/zinc/53/46/98/808534698.db2.gz RMLKAVVTPVWRGZ-KGLIPLIRSA-N 2 1 265.401 0.644 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076569044 815312495 /nfs/dbraw/zinc/31/24/95/815312495.db2.gz HRMIQULMJFYKRI-BFHYXJOUSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076569044 815312499 /nfs/dbraw/zinc/31/24/99/815312499.db2.gz HRMIQULMJFYKRI-BFHYXJOUSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076569044 815312505 /nfs/dbraw/zinc/31/25/05/815312505.db2.gz HRMIQULMJFYKRI-BFHYXJOUSA-N 2 1 261.369 0.104 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(C)C ZINC001265786804 809852767 /nfs/dbraw/zinc/85/27/67/809852767.db2.gz VJNYLTLVCWVTJJ-KGLIPLIRSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(C)C ZINC001265786804 809852770 /nfs/dbraw/zinc/85/27/70/809852770.db2.gz VJNYLTLVCWVTJJ-KGLIPLIRSA-N 2 1 265.401 0.834 20 30 CCEDMP C=CC[NH2+][C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001265794743 809855614 /nfs/dbraw/zinc/85/56/14/809855614.db2.gz WFZJIKFWJWPZIE-SNVBAGLBSA-N 2 1 266.345 0.630 20 30 CCEDMP CC[C@@H](C(=O)NCCC[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001265953780 809904084 /nfs/dbraw/zinc/90/40/84/809904084.db2.gz FLRLVFWZRYECOQ-AWEZNQCLSA-N 2 1 283.416 0.415 20 30 CCEDMP C#CCC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001279307817 809974655 /nfs/dbraw/zinc/97/46/55/809974655.db2.gz PPDSQJWIHGEPDW-NFOMZHRRSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001267281978 811089867 /nfs/dbraw/zinc/08/98/67/811089867.db2.gz NNVGZMGATZLDLW-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+](CCCNC(=O)CC[NH+]1CCOCC1)C(C)C ZINC001267510254 811387630 /nfs/dbraw/zinc/38/76/30/811387630.db2.gz IKPVPKPYWNLSEH-UHFFFAOYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@H+](CCCNC(=O)CC[NH+]1CCOCC1)C(C)C ZINC001267510254 811387638 /nfs/dbraw/zinc/38/76/38/811387638.db2.gz IKPVPKPYWNLSEH-UHFFFAOYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267613573 811565837 /nfs/dbraw/zinc/56/58/37/811565837.db2.gz NATLMANIJUSFFV-ZIAGYGMSSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267613573 811565841 /nfs/dbraw/zinc/56/58/41/811565841.db2.gz NATLMANIJUSFFV-ZIAGYGMSSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267639010 811601081 /nfs/dbraw/zinc/60/10/81/811601081.db2.gz WPKSGPGIBHXRNS-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267639010 811601087 /nfs/dbraw/zinc/60/10/87/811601087.db2.gz WPKSGPGIBHXRNS-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267639010 811601092 /nfs/dbraw/zinc/60/10/92/811601092.db2.gz WPKSGPGIBHXRNS-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001267788594 811787096 /nfs/dbraw/zinc/78/70/96/811787096.db2.gz ARROJCRQJMEGOB-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001267820183 811815830 /nfs/dbraw/zinc/81/58/30/811815830.db2.gz OAHTYCNVOBIIHL-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001267849429 811833472 /nfs/dbraw/zinc/83/34/72/811833472.db2.gz PFYZLEHFAGGJNR-GDBMZVCRSA-N 2 1 277.412 0.978 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)[C@@H](O)C1 ZINC001083573246 815482054 /nfs/dbraw/zinc/48/20/54/815482054.db2.gz CLXAQYHJBVBDAL-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573246 815482056 /nfs/dbraw/zinc/48/20/56/815482056.db2.gz CLXAQYHJBVBDAL-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573246 815482059 /nfs/dbraw/zinc/48/20/59/815482059.db2.gz CLXAQYHJBVBDAL-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573246 815482060 /nfs/dbraw/zinc/48/20/60/815482060.db2.gz CLXAQYHJBVBDAL-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001268026497 812001955 /nfs/dbraw/zinc/00/19/55/812001955.db2.gz VBHXJVJXJSEDDM-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001268026497 812001964 /nfs/dbraw/zinc/00/19/64/812001964.db2.gz VBHXJVJXJSEDDM-UONOGXRCSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593102 815518534 /nfs/dbraw/zinc/51/85/34/815518534.db2.gz DGDQZIPUTBUEHW-ILXRZTDVSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593102 815518537 /nfs/dbraw/zinc/51/85/37/815518537.db2.gz DGDQZIPUTBUEHW-ILXRZTDVSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593102 815518540 /nfs/dbraw/zinc/51/85/40/815518540.db2.gz DGDQZIPUTBUEHW-ILXRZTDVSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593102 815518544 /nfs/dbraw/zinc/51/85/44/815518544.db2.gz DGDQZIPUTBUEHW-ILXRZTDVSA-N 2 1 295.427 0.454 20 30 CCEDMP C#CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001268315591 812479306 /nfs/dbraw/zinc/47/93/06/812479306.db2.gz OMKOUNZTWINTFQ-CQSZACIVSA-N 2 1 295.427 0.339 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028316628 812614966 /nfs/dbraw/zinc/61/49/66/812614966.db2.gz SCDVGZWMPMOTLP-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028316628 812614970 /nfs/dbraw/zinc/61/49/70/812614970.db2.gz SCDVGZWMPMOTLP-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028316628 812614976 /nfs/dbraw/zinc/61/49/76/812614976.db2.gz SCDVGZWMPMOTLP-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001028329101 812622798 /nfs/dbraw/zinc/62/27/98/812622798.db2.gz GEWBSDPWJLNVIC-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001028329101 812622806 /nfs/dbraw/zinc/62/28/06/812622806.db2.gz GEWBSDPWJLNVIC-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329101 812622813 /nfs/dbraw/zinc/62/28/13/812622813.db2.gz GEWBSDPWJLNVIC-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329101 812622818 /nfs/dbraw/zinc/62/28/18/812622818.db2.gz GEWBSDPWJLNVIC-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001028329397 812623657 /nfs/dbraw/zinc/62/36/57/812623657.db2.gz LGMZQGHCTWMRHB-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001028329397 812623661 /nfs/dbraw/zinc/62/36/61/812623661.db2.gz LGMZQGHCTWMRHB-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329397 812623664 /nfs/dbraw/zinc/62/36/64/812623664.db2.gz LGMZQGHCTWMRHB-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329397 812623668 /nfs/dbraw/zinc/62/36/68/812623668.db2.gz LGMZQGHCTWMRHB-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269033475 813184754 /nfs/dbraw/zinc/18/47/54/813184754.db2.gz AKJWGYPZHLYGQV-KBPBESRZSA-N 2 1 265.401 0.786 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001269295334 813314053 /nfs/dbraw/zinc/31/40/53/813314053.db2.gz CFABOZLODAFWPZ-HUUCEWRRSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001269295334 813314060 /nfs/dbraw/zinc/31/40/60/813314060.db2.gz CFABOZLODAFWPZ-HUUCEWRRSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001269295334 813314067 /nfs/dbraw/zinc/31/40/67/813314067.db2.gz CFABOZLODAFWPZ-HUUCEWRRSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269295334 813314074 /nfs/dbraw/zinc/31/40/74/813314074.db2.gz CFABOZLODAFWPZ-HUUCEWRRSA-N 2 1 293.411 0.121 20 30 CCEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001270281514 813707966 /nfs/dbraw/zinc/70/79/66/813707966.db2.gz NQXDZLYVJNOIJJ-CQSZACIVSA-N 2 1 281.400 0.475 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106041 814410394 /nfs/dbraw/zinc/41/03/94/814410394.db2.gz LGCCEXDJYJSPOV-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106041 814410395 /nfs/dbraw/zinc/41/03/95/814410395.db2.gz LGCCEXDJYJSPOV-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106041 814410396 /nfs/dbraw/zinc/41/03/96/814410396.db2.gz LGCCEXDJYJSPOV-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088109395 814411979 /nfs/dbraw/zinc/41/19/79/814411979.db2.gz CKEQMJUHVXAWFF-ILXRZTDVSA-N 2 1 277.412 0.740 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001271965463 814655163 /nfs/dbraw/zinc/65/51/63/814655163.db2.gz MAIWPLBWLNZUBP-GDBMZVCRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257371 816492886 /nfs/dbraw/zinc/49/28/86/816492886.db2.gz XYAIJVWRINVUGO-STQMWFEESA-N 2 1 251.374 0.753 20 30 CCEDMP CC#CCN1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031669487 817233472 /nfs/dbraw/zinc/23/34/72/817233472.db2.gz LJQLLKUIYFUQGY-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031669487 817233478 /nfs/dbraw/zinc/23/34/78/817233478.db2.gz LJQLLKUIYFUQGY-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031669487 817233486 /nfs/dbraw/zinc/23/34/86/817233486.db2.gz LJQLLKUIYFUQGY-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976130 817514996 /nfs/dbraw/zinc/51/49/96/817514996.db2.gz FVVCPYRIYVNYGC-JSGCOSHPSA-N 2 1 265.401 0.808 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032027246 817559682 /nfs/dbraw/zinc/55/96/82/817559682.db2.gz QIOYGYREEPZARI-OAHLLOKOSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032027246 817559686 /nfs/dbraw/zinc/55/96/86/817559686.db2.gz QIOYGYREEPZARI-OAHLLOKOSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780912 817631047 /nfs/dbraw/zinc/63/10/47/817631047.db2.gz OVHFAVLYIHRBKR-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780912 817631053 /nfs/dbraw/zinc/63/10/53/817631053.db2.gz OVHFAVLYIHRBKR-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780912 817631059 /nfs/dbraw/zinc/63/10/59/817631059.db2.gz OVHFAVLYIHRBKR-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001032205949 817701095 /nfs/dbraw/zinc/70/10/95/817701095.db2.gz NEOJHUUSINVXEK-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001032205949 817701103 /nfs/dbraw/zinc/70/11/03/817701103.db2.gz NEOJHUUSINVXEK-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCN1C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001273030530 818490369 /nfs/dbraw/zinc/49/03/69/818490369.db2.gz NVSVMLQCNIXTJK-LSDHHAIUSA-N 2 1 299.365 0.746 20 30 CCEDMP C=CCN1C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001273030530 818490374 /nfs/dbraw/zinc/49/03/74/818490374.db2.gz NVSVMLQCNIXTJK-LSDHHAIUSA-N 2 1 299.365 0.746 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033090530 818509811 /nfs/dbraw/zinc/50/98/11/818509811.db2.gz BYRAUKXCPZYLQS-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033090530 818509817 /nfs/dbraw/zinc/50/98/17/818509817.db2.gz BYRAUKXCPZYLQS-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033090530 818509824 /nfs/dbraw/zinc/50/98/24/818509824.db2.gz BYRAUKXCPZYLQS-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035794674 819626580 /nfs/dbraw/zinc/62/65/80/819626580.db2.gz IVUSZDCNELAXIT-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001080441477 820576280 /nfs/dbraw/zinc/57/62/80/820576280.db2.gz MZRJGYVEAGEEDK-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001080441477 820576284 /nfs/dbraw/zinc/57/62/84/820576284.db2.gz MZRJGYVEAGEEDK-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001080441477 820576286 /nfs/dbraw/zinc/57/62/86/820576286.db2.gz MZRJGYVEAGEEDK-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001080441477 820576291 /nfs/dbraw/zinc/57/62/91/820576291.db2.gz MZRJGYVEAGEEDK-MGPQQGTHSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080779007 820637339 /nfs/dbraw/zinc/63/73/39/820637339.db2.gz FAOWJNSBYNGMGL-HZSPNIEDSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001080779007 820637346 /nfs/dbraw/zinc/63/73/46/820637346.db2.gz FAOWJNSBYNGMGL-HZSPNIEDSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080779007 820637348 /nfs/dbraw/zinc/63/73/48/820637348.db2.gz FAOWJNSBYNGMGL-HZSPNIEDSA-N 2 1 265.401 0.951 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080947629 820661360 /nfs/dbraw/zinc/66/13/60/820661360.db2.gz GDQUDOWBBCZTPY-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080947629 820661364 /nfs/dbraw/zinc/66/13/64/820661364.db2.gz GDQUDOWBBCZTPY-TZMCWYRMSA-N 2 1 274.368 0.651 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081656796 820811803 /nfs/dbraw/zinc/81/18/03/820811803.db2.gz MCLVLDDTUAGQDA-QLFBSQMISA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081656796 820811811 /nfs/dbraw/zinc/81/18/11/820811811.db2.gz MCLVLDDTUAGQDA-QLFBSQMISA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081656796 820811821 /nfs/dbraw/zinc/81/18/21/820811821.db2.gz MCLVLDDTUAGQDA-QLFBSQMISA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081656796 820811833 /nfs/dbraw/zinc/81/18/33/820811833.db2.gz MCLVLDDTUAGQDA-QLFBSQMISA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082092730 820893446 /nfs/dbraw/zinc/89/34/46/820893446.db2.gz MKQRHPGPYROPGN-ZIAGYGMSSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082092730 820893457 /nfs/dbraw/zinc/89/34/57/820893457.db2.gz MKQRHPGPYROPGN-ZIAGYGMSSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCN1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082137769 820905250 /nfs/dbraw/zinc/90/52/50/820905250.db2.gz ACLBHTZABNCFSE-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@H](OC)C1 ZINC001082395199 820956067 /nfs/dbraw/zinc/95/60/67/820956067.db2.gz CFCXVTBXXFUHPQ-CHWSQXEVSA-N 2 1 278.356 0.275 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001082570447 820999690 /nfs/dbraw/zinc/99/96/90/820999690.db2.gz LXBKEMIEOKWFRA-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083955051 821165743 /nfs/dbraw/zinc/16/57/43/821165743.db2.gz UWSVPFBJNUKGOU-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955051 821165748 /nfs/dbraw/zinc/16/57/48/821165748.db2.gz UWSVPFBJNUKGOU-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955051 821165750 /nfs/dbraw/zinc/16/57/50/821165750.db2.gz UWSVPFBJNUKGOU-MCIONIFRSA-N 2 1 281.400 0.066 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084429293 821285623 /nfs/dbraw/zinc/28/56/23/821285623.db2.gz XWWGDKQSQPSPEE-KFWWJZLASA-N 2 1 277.412 0.739 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084777895 821390014 /nfs/dbraw/zinc/39/00/14/821390014.db2.gz VJNRZVZKIZTUPM-ZIAGYGMSSA-N 2 1 275.396 0.801 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084832500 821406786 /nfs/dbraw/zinc/40/67/86/821406786.db2.gz JPKLPWQOKNHTPN-ZIAGYGMSSA-N 2 1 261.369 0.248 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084832500 821406790 /nfs/dbraw/zinc/40/67/90/821406790.db2.gz JPKLPWQOKNHTPN-ZIAGYGMSSA-N 2 1 261.369 0.248 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001085422281 821681135 /nfs/dbraw/zinc/68/11/35/821681135.db2.gz NEHCGDGEZPKQGB-BFHYXJOUSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CCN1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001108213597 821983114 /nfs/dbraw/zinc/98/31/14/821983114.db2.gz PJNJHKOXUWAUFA-HOCLYGCPSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCN1CCO[C@@](C)(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001108213597 821983119 /nfs/dbraw/zinc/98/31/19/821983119.db2.gz PJNJHKOXUWAUFA-HOCLYGCPSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085972675 822045760 /nfs/dbraw/zinc/04/57/60/822045760.db2.gz GCQTXZISQQANIB-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085972675 822045765 /nfs/dbraw/zinc/04/57/65/822045765.db2.gz GCQTXZISQQANIB-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120241 822118279 /nfs/dbraw/zinc/11/82/79/822118279.db2.gz RGCMPCWDGUIWNS-APIJFGDWSA-N 2 1 295.427 0.766 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120241 822118284 /nfs/dbraw/zinc/11/82/84/822118284.db2.gz RGCMPCWDGUIWNS-APIJFGDWSA-N 2 1 295.427 0.766 20 30 CCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183399491 844013907 /nfs/dbraw/zinc/01/39/07/844013907.db2.gz XWJMLHUDRJNLMP-IJEWVQPXSA-N 2 1 277.412 0.646 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001113277604 837077479 /nfs/dbraw/zinc/07/74/79/837077479.db2.gz VUYYOQDLLDNNQG-UHFFFAOYSA-N 2 1 283.416 0.675 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113629318 837182000 /nfs/dbraw/zinc/18/20/00/837182000.db2.gz AGJBNFCUOOMOTM-CQSZACIVSA-N 2 1 281.400 0.285 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113629318 837182005 /nfs/dbraw/zinc/18/20/05/837182005.db2.gz AGJBNFCUOOMOTM-CQSZACIVSA-N 2 1 281.400 0.285 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001132996854 838534427 /nfs/dbraw/zinc/53/44/27/838534427.db2.gz BILKRDLOCGPRQR-CYBMUJFWSA-N 2 1 274.368 0.483 20 30 CCEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001133870612 838750523 /nfs/dbraw/zinc/75/05/23/838750523.db2.gz UXNQXLBFLFJXMB-RDJZCZTQSA-N 2 1 299.418 0.942 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133897130 838770048 /nfs/dbraw/zinc/77/00/48/838770048.db2.gz ZWVWOKTVXFHMEO-UHFFFAOYSA-N 2 1 251.374 0.447 20 30 CCEDMP C=CC[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133886730 838771409 /nfs/dbraw/zinc/77/14/09/838771409.db2.gz WBJBYYAOBYKBIY-UHFFFAOYSA-N 2 1 278.356 0.776 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134759463 839064905 /nfs/dbraw/zinc/06/49/05/839064905.db2.gz PGSPYGFXXWPHGU-ZDUSSCGKSA-N 2 1 251.374 0.588 20 30 CCEDMP C=CC[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135307286 839203782 /nfs/dbraw/zinc/20/37/82/839203782.db2.gz UTZMBZCRNMPNNQ-UHFFFAOYSA-N 2 1 250.346 0.864 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090541772 839628629 /nfs/dbraw/zinc/62/86/29/839628629.db2.gz XYIBMJMCENIZLI-KGLIPLIRSA-N 2 1 281.400 0.066 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174380 840755961 /nfs/dbraw/zinc/75/59/61/840755961.db2.gz LLWITZKZPAFLJL-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001148647312 840863312 /nfs/dbraw/zinc/86/33/12/840863312.db2.gz RLZBGCOZZWOCSG-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148647312 840863321 /nfs/dbraw/zinc/86/33/21/840863321.db2.gz RLZBGCOZZWOCSG-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148647312 840863331 /nfs/dbraw/zinc/86/33/31/840863331.db2.gz RLZBGCOZZWOCSG-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086880491 840934909 /nfs/dbraw/zinc/93/49/09/840934909.db2.gz BXYTXEMYNAXWNB-RRFJBIMHSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086880491 840934920 /nfs/dbraw/zinc/93/49/20/840934920.db2.gz BXYTXEMYNAXWNB-RRFJBIMHSA-N 2 1 293.411 0.215 20 30 CCEDMP CC[N@@H+]1CC[C@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C1 ZINC001173360645 842060636 /nfs/dbraw/zinc/06/06/36/842060636.db2.gz QOZQYDUWXFWGPB-LBPRGKRZSA-N 2 1 260.341 0.585 20 30 CCEDMP CC[N@H+]1CC[C@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C1 ZINC001173360645 842060645 /nfs/dbraw/zinc/06/06/45/842060645.db2.gz QOZQYDUWXFWGPB-LBPRGKRZSA-N 2 1 260.341 0.585 20 30 CCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001175728903 842274607 /nfs/dbraw/zinc/27/46/07/842274607.db2.gz GOTYMLFSKXBIBR-OAHLLOKOSA-N 2 1 295.427 0.607 20 30 CCEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045190 842736739 /nfs/dbraw/zinc/73/67/39/842736739.db2.gz GBWVJSPVDWKLCW-CQSZACIVSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178107526 842759982 /nfs/dbraw/zinc/75/99/82/842759982.db2.gz RKMPTBXSBHWIGI-OAHLLOKOSA-N 2 1 295.427 0.607 20 30 CCEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178107526 842759990 /nfs/dbraw/zinc/75/99/90/842759990.db2.gz RKMPTBXSBHWIGI-OAHLLOKOSA-N 2 1 295.427 0.607 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180226912 843120739 /nfs/dbraw/zinc/12/07/39/843120739.db2.gz SNXOGTQDZHHCFZ-GJZGRUSLSA-N 2 1 295.427 0.555 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181822600 843622168 /nfs/dbraw/zinc/62/21/68/843622168.db2.gz SIGMWSYHBJWLGW-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181822600 843622176 /nfs/dbraw/zinc/62/21/76/843622176.db2.gz SIGMWSYHBJWLGW-CHWSQXEVSA-N 2 1 267.373 0.084 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183289069 843999730 /nfs/dbraw/zinc/99/97/30/843999730.db2.gz RKEZMCFBHZRKQH-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](C)OC)C1 ZINC001183353801 844004585 /nfs/dbraw/zinc/00/45/85/844004585.db2.gz ASFZHRYXWCPGLK-ZNMIVQPWSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](C)OC)C1 ZINC001183353801 844004593 /nfs/dbraw/zinc/00/45/93/844004593.db2.gz ASFZHRYXWCPGLK-ZNMIVQPWSA-N 2 1 293.411 0.309 20 30 CCEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515922 845154441 /nfs/dbraw/zinc/15/44/41/845154441.db2.gz CXFTUGQXUOFZQQ-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189515922 845154445 /nfs/dbraw/zinc/15/44/45/845154445.db2.gz CXFTUGQXUOFZQQ-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189515922 845154450 /nfs/dbraw/zinc/15/44/50/845154450.db2.gz CXFTUGQXUOFZQQ-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189515922 845154456 /nfs/dbraw/zinc/15/44/56/845154456.db2.gz CXFTUGQXUOFZQQ-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016982 845773141 /nfs/dbraw/zinc/77/31/41/845773141.db2.gz LDMPLFXGYCHLKV-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001193600903 846137969 /nfs/dbraw/zinc/13/79/69/846137969.db2.gz OKOBOGONURFFNT-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193600903 846137970 /nfs/dbraw/zinc/13/79/70/846137970.db2.gz OKOBOGONURFFNT-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193600903 846137976 /nfs/dbraw/zinc/13/79/76/846137976.db2.gz OKOBOGONURFFNT-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193892540 846177154 /nfs/dbraw/zinc/17/71/54/846177154.db2.gz RNQZLYSUBCERDA-RRFJBIMHSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193892540 846177158 /nfs/dbraw/zinc/17/71/58/846177158.db2.gz RNQZLYSUBCERDA-RRFJBIMHSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193892540 846177166 /nfs/dbraw/zinc/17/71/66/846177166.db2.gz RNQZLYSUBCERDA-RRFJBIMHSA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193892540 846177177 /nfs/dbraw/zinc/17/71/77/846177177.db2.gz RNQZLYSUBCERDA-RRFJBIMHSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194028357 846199849 /nfs/dbraw/zinc/19/98/49/846199849.db2.gz YPSJURSJIHZYAK-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194028357 846199852 /nfs/dbraw/zinc/19/98/52/846199852.db2.gz YPSJURSJIHZYAK-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194095921 846222251 /nfs/dbraw/zinc/22/22/51/846222251.db2.gz WDPGQIKUGAUNEC-MGPQQGTHSA-N 2 1 283.416 0.454 20 30 CCEDMP C#CCNC(=O)[C@@H]1CC12CC[NH+](CCC[NH+](C)C)CC2 ZINC001273711877 846685033 /nfs/dbraw/zinc/68/50/33/846685033.db2.gz LNVPKUCYFAQOEO-AWEZNQCLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115151339 847148208 /nfs/dbraw/zinc/14/82/08/847148208.db2.gz CTZRTXZUQDTREL-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115151339 847148213 /nfs/dbraw/zinc/14/82/13/847148213.db2.gz CTZRTXZUQDTREL-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CCC ZINC001115151339 847148203 /nfs/dbraw/zinc/14/82/03/847148203.db2.gz CTZRTXZUQDTREL-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199345888 847294447 /nfs/dbraw/zinc/29/44/47/847294447.db2.gz QYVBLWYLTQIUNP-HUUCEWRRSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199345888 847294454 /nfs/dbraw/zinc/29/44/54/847294454.db2.gz QYVBLWYLTQIUNP-HUUCEWRRSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CCCO1 ZINC001201924909 847826741 /nfs/dbraw/zinc/82/67/41/847826741.db2.gz VMVMMINKEVSJMP-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202164984 847861246 /nfs/dbraw/zinc/86/12/46/847861246.db2.gz NULLNHOGHRUTOM-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114408933 848050508 /nfs/dbraw/zinc/05/05/08/848050508.db2.gz CZPLIHOBUZPJRA-YJNKXOJESA-N 2 1 277.412 0.949 20 30 CCEDMP C=C(C)C[NH2+]C/C=C/CNC(=O)CC[NH+]1CCOCC1 ZINC001274437981 848477321 /nfs/dbraw/zinc/47/73/21/848477321.db2.gz ALQVQEGUYZHIHI-ONEGZZNKSA-N 2 1 281.400 0.547 20 30 CCEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001275976324 848878032 /nfs/dbraw/zinc/87/80/32/848878032.db2.gz BSUVQPYCSBFHME-QWHCGFSZSA-N 2 1 253.390 0.642 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038538222 849934199 /nfs/dbraw/zinc/93/41/99/849934199.db2.gz VFALHYHMGOHSBP-IOSBVQAASA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038538222 849934209 /nfs/dbraw/zinc/93/42/09/849934209.db2.gz VFALHYHMGOHSBP-IOSBVQAASA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038538222 849934218 /nfs/dbraw/zinc/93/42/18/849934218.db2.gz VFALHYHMGOHSBP-IOSBVQAASA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038538222 849934227 /nfs/dbraw/zinc/93/42/27/849934227.db2.gz VFALHYHMGOHSBP-IOSBVQAASA-N 2 1 291.395 0.226 20 30 CCEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046844455 851628268 /nfs/dbraw/zinc/62/82/68/851628268.db2.gz BAVVVQUYANHNFU-ZBFHGGJFSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046844455 851628275 /nfs/dbraw/zinc/62/82/75/851628275.db2.gz BAVVVQUYANHNFU-ZBFHGGJFSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046844455 851628279 /nfs/dbraw/zinc/62/82/79/851628279.db2.gz BAVVVQUYANHNFU-ZBFHGGJFSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046844455 851628286 /nfs/dbraw/zinc/62/82/86/851628286.db2.gz BAVVVQUYANHNFU-ZBFHGGJFSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046856064 851633180 /nfs/dbraw/zinc/63/31/80/851633180.db2.gz ZGBUFPPNFXKKEY-HOCLYGCPSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046856064 851633172 /nfs/dbraw/zinc/63/31/72/851633172.db2.gz ZGBUFPPNFXKKEY-HOCLYGCPSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046856064 851633188 /nfs/dbraw/zinc/63/31/88/851633188.db2.gz ZGBUFPPNFXKKEY-HOCLYGCPSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046856064 851633192 /nfs/dbraw/zinc/63/31/92/851633192.db2.gz ZGBUFPPNFXKKEY-HOCLYGCPSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048719616 852029571 /nfs/dbraw/zinc/02/95/71/852029571.db2.gz BGTBHYROUWIHBI-HZSPNIEDSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048719616 852029576 /nfs/dbraw/zinc/02/95/76/852029576.db2.gz BGTBHYROUWIHBI-HZSPNIEDSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048719616 852029584 /nfs/dbraw/zinc/02/95/84/852029584.db2.gz BGTBHYROUWIHBI-HZSPNIEDSA-N 2 1 263.385 0.657 20 30 CCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001096548576 852305630 /nfs/dbraw/zinc/30/56/30/852305630.db2.gz JIEHXJMIWMZOSA-ILXRZTDVSA-N 2 1 286.379 0.936 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001096548576 852305637 /nfs/dbraw/zinc/30/56/37/852305637.db2.gz JIEHXJMIWMZOSA-ILXRZTDVSA-N 2 1 286.379 0.936 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049901403 852393526 /nfs/dbraw/zinc/39/35/26/852393526.db2.gz PCDCMKQYGIWFSD-CABCVRRESA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052865617 852664284 /nfs/dbraw/zinc/66/42/84/852664284.db2.gz QDLZARCKAVQXCO-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052865617 852664289 /nfs/dbraw/zinc/66/42/89/852664289.db2.gz QDLZARCKAVQXCO-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052865617 852664294 /nfs/dbraw/zinc/66/42/94/852664294.db2.gz QDLZARCKAVQXCO-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCCN1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001053531168 852754394 /nfs/dbraw/zinc/75/43/94/852754394.db2.gz LVHRAHGBUMVKPH-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071994291 854331662 /nfs/dbraw/zinc/33/16/62/854331662.db2.gz DVIMTPRPGHERRF-KBPBESRZSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071994291 854331670 /nfs/dbraw/zinc/33/16/70/854331670.db2.gz DVIMTPRPGHERRF-KBPBESRZSA-N 2 1 275.396 0.685 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072541987 854410530 /nfs/dbraw/zinc/41/05/30/854410530.db2.gz IBBSXDRCWVRCPK-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072541987 854410534 /nfs/dbraw/zinc/41/05/34/854410534.db2.gz IBBSXDRCWVRCPK-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072541987 854410539 /nfs/dbraw/zinc/41/05/39/854410539.db2.gz IBBSXDRCWVRCPK-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072743471 854455895 /nfs/dbraw/zinc/45/58/95/854455895.db2.gz PSXVMWNWOMMSPF-OAHLLOKOSA-N 2 1 287.407 0.496 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001072752438 854457935 /nfs/dbraw/zinc/45/79/35/854457935.db2.gz KKCRCJJFIXTJDG-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072752438 854457940 /nfs/dbraw/zinc/45/79/40/854457940.db2.gz KKCRCJJFIXTJDG-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072752438 854457949 /nfs/dbraw/zinc/45/79/49/854457949.db2.gz KKCRCJJFIXTJDG-HUUCEWRRSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973980 855057839 /nfs/dbraw/zinc/05/78/39/855057839.db2.gz LVYXDCDINJGAQQ-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100083340 855098647 /nfs/dbraw/zinc/09/86/47/855098647.db2.gz QKSSXFLEBUATNL-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100083340 855098651 /nfs/dbraw/zinc/09/86/51/855098651.db2.gz QKSSXFLEBUATNL-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100083340 855098663 /nfs/dbraw/zinc/09/86/63/855098663.db2.gz QKSSXFLEBUATNL-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001100188087 855113426 /nfs/dbraw/zinc/11/34/26/855113426.db2.gz YYAVZCFVEMOVIF-NRXISQOPSA-N 2 1 295.427 0.768 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100345023 855151639 /nfs/dbraw/zinc/15/16/39/855151639.db2.gz MRPKIQARNJWIIP-XSCHDIRWSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001100509369 855180122 /nfs/dbraw/zinc/18/01/22/855180122.db2.gz COTNOEYRVSCAFH-UHFFFAOYSA-N 2 1 260.341 0.309 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100827716 855230343 /nfs/dbraw/zinc/23/03/43/855230343.db2.gz QUIQMLPSRBQJBT-UHFFFAOYSA-N 2 1 253.390 0.999 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320412 855427520 /nfs/dbraw/zinc/42/75/20/855427520.db2.gz BDCMBAOEVKDWQP-ZIAGYGMSSA-N 2 1 265.401 0.646 20 30 CCEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001112285094 855624563 /nfs/dbraw/zinc/62/45/63/855624563.db2.gz LMTNOBYGTAZDDR-UXLLHSPISA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115462193 855674544 /nfs/dbraw/zinc/67/45/44/855674544.db2.gz WUEQSHAODWTCMJ-AWEZNQCLSA-N 2 1 295.427 0.912 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115462193 855674546 /nfs/dbraw/zinc/67/45/46/855674546.db2.gz WUEQSHAODWTCMJ-AWEZNQCLSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[N@@H+](C[C@H](O)CC)C1CCN(C[C@H](O)CC)CC1 ZINC001119267378 856605561 /nfs/dbraw/zinc/60/55/61/856605561.db2.gz XXPSESPDWQDFNZ-HZPDHXFCSA-N 2 1 282.428 0.928 20 30 CCEDMP C=CCO[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001119309400 856626151 /nfs/dbraw/zinc/62/61/51/856626151.db2.gz WPBCBNZVIAJXLP-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCO[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001119309400 856626156 /nfs/dbraw/zinc/62/61/56/856626156.db2.gz WPBCBNZVIAJXLP-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001324948655 913113903 /nfs/dbraw/zinc/11/39/03/913113903.db2.gz TZXLYEHZLCZZCN-ZBFHGGJFSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001324948655 913113910 /nfs/dbraw/zinc/11/39/10/913113910.db2.gz TZXLYEHZLCZZCN-ZBFHGGJFSA-N 2 1 277.412 0.932 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001394622379 913318780 /nfs/dbraw/zinc/31/87/80/913318780.db2.gz WOEMAJAAGCBQCO-NWDGAFQWSA-N 2 1 289.807 0.290 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001394622379 913318798 /nfs/dbraw/zinc/31/87/98/913318798.db2.gz WOEMAJAAGCBQCO-NWDGAFQWSA-N 2 1 289.807 0.290 20 30 CCEDMP Cc1cc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc(C)[nH+]1 ZINC001325630085 913499561 /nfs/dbraw/zinc/49/95/61/913499561.db2.gz YXFAZIWEPWPOTR-JQWIXIFHSA-N 2 1 259.313 0.353 20 30 CCEDMP CC#CC[N@H+](C)CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001266280910 891415648 /nfs/dbraw/zinc/41/56/48/891415648.db2.gz YOLXBKQBWVBONN-CYBMUJFWSA-N 2 1 271.380 0.738 20 30 CCEDMP CC#CC[N@@H+](CCNC(=O)Cc1cncn1C)C1CC1 ZINC001267336623 891878405 /nfs/dbraw/zinc/87/84/05/891878405.db2.gz UDHXREXZTRNRAX-UHFFFAOYSA-N 2 1 274.368 0.567 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001481066981 892128144 /nfs/dbraw/zinc/12/81/44/892128144.db2.gz YNWQFTAWKUKCAK-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481066981 892128153 /nfs/dbraw/zinc/12/81/53/892128153.db2.gz YNWQFTAWKUKCAK-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001481066981 892128161 /nfs/dbraw/zinc/12/81/61/892128161.db2.gz YNWQFTAWKUKCAK-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001283832351 892459389 /nfs/dbraw/zinc/45/93/89/892459389.db2.gz UHCAQWRHHICVLH-LSDHHAIUSA-N 2 1 291.395 0.542 20 30 CCEDMP COCC#CC[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001481279739 892506827 /nfs/dbraw/zinc/50/68/27/892506827.db2.gz OBVXMZMBUSSWDB-UHFFFAOYSA-N 2 1 297.443 0.662 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481448029 892672762 /nfs/dbraw/zinc/67/27/62/892672762.db2.gz VBVGKRRWNRLSBY-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481448029 892672773 /nfs/dbraw/zinc/67/27/73/892672773.db2.gz VBVGKRRWNRLSBY-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481448029 892672782 /nfs/dbraw/zinc/67/27/82/892672782.db2.gz VBVGKRRWNRLSBY-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001482238478 893632641 /nfs/dbraw/zinc/63/26/41/893632641.db2.gz RNRRSYSZCOWMCE-CQSZACIVSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001482238478 893632645 /nfs/dbraw/zinc/63/26/45/893632645.db2.gz RNRRSYSZCOWMCE-CQSZACIVSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482398589 893954209 /nfs/dbraw/zinc/95/42/09/893954209.db2.gz PEXNADDMEOQWGY-KBPBESRZSA-N 2 1 265.401 0.692 20 30 CCEDMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001482570904 894254411 /nfs/dbraw/zinc/25/44/11/894254411.db2.gz PGUHUWCPMOBHRD-UONOGXRCSA-N 2 1 265.401 0.692 20 30 CCEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482728097 894547953 /nfs/dbraw/zinc/54/79/53/894547953.db2.gz DZSMHODNNSBLRQ-KBPBESRZSA-N 2 1 283.416 0.502 20 30 CCEDMP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001482901341 894670829 /nfs/dbraw/zinc/67/08/29/894670829.db2.gz PSOLTKPSSSMGQV-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001482901341 894670841 /nfs/dbraw/zinc/67/08/41/894670841.db2.gz PSOLTKPSSSMGQV-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482892088 894674871 /nfs/dbraw/zinc/67/48/71/894674871.db2.gz WDKJHJJRJWLTTC-CHWSQXEVSA-N 2 1 253.390 0.999 20 30 CCEDMP CCN(CC[NH2+]CC#CCOC)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482950452 894730048 /nfs/dbraw/zinc/73/00/48/894730048.db2.gz RUROPWSYPXATAU-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001483045040 894842147 /nfs/dbraw/zinc/84/21/47/894842147.db2.gz UJBRYYNIMFSPTA-URWSZGRFSA-N 2 1 251.374 0.919 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001483410358 895547116 /nfs/dbraw/zinc/54/71/16/895547116.db2.gz VHVAWTSIEMLTJM-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483410358 895547130 /nfs/dbraw/zinc/54/71/30/895547130.db2.gz VHVAWTSIEMLTJM-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483410358 895547139 /nfs/dbraw/zinc/54/71/39/895547139.db2.gz VHVAWTSIEMLTJM-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484126107 896203038 /nfs/dbraw/zinc/20/30/38/896203038.db2.gz TUSQKPKPBKHHPZ-UKRRQHHQSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001485216051 896857108 /nfs/dbraw/zinc/85/71/08/896857108.db2.gz NEVURDHDGJQJJR-OLZOCXBDSA-N 2 1 253.390 0.834 20 30 CCEDMP C=CCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001492857992 914120223 /nfs/dbraw/zinc/12/02/23/914120223.db2.gz UDRZPFYYQCTPBK-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CCCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001492857992 914120238 /nfs/dbraw/zinc/12/02/38/914120238.db2.gz UDRZPFYYQCTPBK-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CCCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001492857992 914120249 /nfs/dbraw/zinc/12/02/49/914120249.db2.gz UDRZPFYYQCTPBK-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001032446163 897567788 /nfs/dbraw/zinc/56/77/88/897567788.db2.gz XIVDBRKRULKHHU-KKUMJFAQSA-N 2 1 275.396 0.635 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001032446163 897567799 /nfs/dbraw/zinc/56/77/99/897567799.db2.gz XIVDBRKRULKHHU-KKUMJFAQSA-N 2 1 275.396 0.635 20 30 CCEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)CCC ZINC001485832304 897830778 /nfs/dbraw/zinc/83/07/78/897830778.db2.gz MUCYYHHUTPOMLD-CQSZACIVSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001032628345 897843103 /nfs/dbraw/zinc/84/31/03/897843103.db2.gz WQOVYQJQGTZMLT-KKUMJFAQSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001032628345 897843113 /nfs/dbraw/zinc/84/31/13/897843113.db2.gz WQOVYQJQGTZMLT-KKUMJFAQSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032628345 897843121 /nfs/dbraw/zinc/84/31/21/897843121.db2.gz WQOVYQJQGTZMLT-KKUMJFAQSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032628345 897843129 /nfs/dbraw/zinc/84/31/29/897843129.db2.gz WQOVYQJQGTZMLT-KKUMJFAQSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001032626242 897844797 /nfs/dbraw/zinc/84/47/97/897844797.db2.gz CAZBHWAKBZGRMN-KKUMJFAQSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001032626242 897844808 /nfs/dbraw/zinc/84/48/08/897844808.db2.gz CAZBHWAKBZGRMN-KKUMJFAQSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001032626242 897844822 /nfs/dbraw/zinc/84/48/22/897844822.db2.gz CAZBHWAKBZGRMN-KKUMJFAQSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001032626242 897844834 /nfs/dbraw/zinc/84/48/34/897844834.db2.gz CAZBHWAKBZGRMN-KKUMJFAQSA-N 2 1 275.396 0.779 20 30 CCEDMP C=CCN1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001078018048 898184032 /nfs/dbraw/zinc/18/40/32/898184032.db2.gz LAWANNRDGRAUJW-TZMCWYRMSA-N 2 1 290.367 0.109 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001485854798 898463031 /nfs/dbraw/zinc/46/30/31/898463031.db2.gz GYNVHLYXHIKCMY-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001486351765 898807045 /nfs/dbraw/zinc/80/70/45/898807045.db2.gz YCUMKYTYQFHCFC-OAHLLOKOSA-N 2 1 297.443 0.655 20 30 CCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486347882 898825611 /nfs/dbraw/zinc/82/56/11/898825611.db2.gz UHOYULMZOOFJHU-AWEZNQCLSA-N 2 1 283.416 0.265 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCO1 ZINC001327033954 914327078 /nfs/dbraw/zinc/32/70/78/914327078.db2.gz GVZCLULOCBDTST-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176565665 899976764 /nfs/dbraw/zinc/97/67/64/899976764.db2.gz WWWJDKAQSOADSW-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP CN1CC[NH+](CCCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001326829317 901937181 /nfs/dbraw/zinc/93/71/81/901937181.db2.gz OUOBRUDERFYLEB-AWEZNQCLSA-N 2 1 295.431 0.151 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001490954994 903267919 /nfs/dbraw/zinc/26/79/19/903267919.db2.gz MSADTJPHISRHQS-JHJVBQTASA-N 2 1 251.374 0.751 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001490954992 903268670 /nfs/dbraw/zinc/26/86/70/903268670.db2.gz MSADTJPHISRHQS-AVGNSLFASA-N 2 1 251.374 0.751 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001210521881 903826127 /nfs/dbraw/zinc/82/61/27/903826127.db2.gz XUCFYFDVMNDXAL-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210521881 903826135 /nfs/dbraw/zinc/82/61/35/903826135.db2.gz XUCFYFDVMNDXAL-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210521881 903826144 /nfs/dbraw/zinc/82/61/44/903826144.db2.gz XUCFYFDVMNDXAL-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001330987305 903941569 /nfs/dbraw/zinc/94/15/69/903941569.db2.gz JMPSZORGELCZKW-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001330987305 903941587 /nfs/dbraw/zinc/94/15/87/903941587.db2.gz JMPSZORGELCZKW-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CCC[NH2+]CC1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001282065878 904402755 /nfs/dbraw/zinc/40/27/55/904402755.db2.gz CUIGKGVBLZZOCZ-UHFFFAOYSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001316626152 904812707 /nfs/dbraw/zinc/81/27/07/904812707.db2.gz YQOGJMFUMUYKLI-MELADBBJSA-N 2 1 263.385 0.446 20 30 CCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001283765402 905002758 /nfs/dbraw/zinc/00/27/58/905002758.db2.gz UCQMKTCGMUBREX-KBPBESRZSA-N 2 1 283.416 0.504 20 30 CCEDMP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001284276944 905228612 /nfs/dbraw/zinc/22/86/12/905228612.db2.gz QSDOFURQUDUDNG-KBPBESRZSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001284276944 905228623 /nfs/dbraw/zinc/22/86/23/905228623.db2.gz QSDOFURQUDUDNG-KBPBESRZSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001491809728 907611255 /nfs/dbraw/zinc/61/12/55/907611255.db2.gz ZJPXRLMLQOMTSQ-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317830850 909516617 /nfs/dbraw/zinc/51/66/17/909516617.db2.gz KYULLWFZVGUXHG-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317830850 909516629 /nfs/dbraw/zinc/51/66/29/909516629.db2.gz KYULLWFZVGUXHG-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317830850 909516639 /nfs/dbraw/zinc/51/66/39/909516639.db2.gz KYULLWFZVGUXHG-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCN1CC[C@H](N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318482615 909774342 /nfs/dbraw/zinc/77/43/42/909774342.db2.gz KOVJHRGYWZTGDG-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001318482615 909774353 /nfs/dbraw/zinc/77/43/53/909774353.db2.gz KOVJHRGYWZTGDG-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001318482615 909774361 /nfs/dbraw/zinc/77/43/61/909774361.db2.gz KOVJHRGYWZTGDG-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318482615 909774382 /nfs/dbraw/zinc/77/43/82/909774382.db2.gz KOVJHRGYWZTGDG-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001319168117 910015565 /nfs/dbraw/zinc/01/55/65/910015565.db2.gz RYKRIAFVWWJNQJ-UONOGXRCSA-N 2 1 281.400 0.072 20 30 CCEDMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001319286697 910072523 /nfs/dbraw/zinc/07/25/23/910072523.db2.gz XZIPNUDGEOKMQI-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001319967317 910379234 /nfs/dbraw/zinc/37/92/34/910379234.db2.gz DSJOUGWENBIQQQ-ZDUSSCGKSA-N 2 1 253.390 0.690 20 30 CCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001320091678 910456704 /nfs/dbraw/zinc/45/67/04/910456704.db2.gz YUEREMYIUVIFHM-UHFFFAOYSA-N 2 1 283.416 0.367 20 30 CCEDMP COCC#CC[NH+](C)CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001320091678 910456717 /nfs/dbraw/zinc/45/67/17/910456717.db2.gz YUEREMYIUVIFHM-UHFFFAOYSA-N 2 1 283.416 0.367 20 30 CCEDMP COCC#CC[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001320091678 910456725 /nfs/dbraw/zinc/45/67/25/910456725.db2.gz YUEREMYIUVIFHM-UHFFFAOYSA-N 2 1 283.416 0.367 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001320086160 910457359 /nfs/dbraw/zinc/45/73/59/910457359.db2.gz XVSQAVUHFSJCTP-UHFFFAOYSA-N 2 1 275.396 0.355 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001322024735 911626018 /nfs/dbraw/zinc/62/60/18/911626018.db2.gz VFNQXSJYWZEDPE-ZDUSSCGKSA-N 2 1 269.389 0.379 20 30 CCEDMP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001329148733 915706582 /nfs/dbraw/zinc/70/65/82/915706582.db2.gz QWGDFKGKKWIPQU-UONOGXRCSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@H+]1C ZINC001329888103 916257640 /nfs/dbraw/zinc/25/76/40/916257640.db2.gz RWRVCDQYLXBDTC-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP C=CCOCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001330032119 916370006 /nfs/dbraw/zinc/37/00/06/916370006.db2.gz QKUCYNFYCJARCM-DZGCQCFKSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001330041432 916376581 /nfs/dbraw/zinc/37/65/81/916376581.db2.gz ZMNPWSZKQQNVCF-LBPRGKRZSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001330072445 916398442 /nfs/dbraw/zinc/39/84/42/916398442.db2.gz UGIQBDKZEYCNCK-GFCCVEGCSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001330072445 916398459 /nfs/dbraw/zinc/39/84/59/916398459.db2.gz UGIQBDKZEYCNCK-GFCCVEGCSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001332050276 917825041 /nfs/dbraw/zinc/82/50/41/917825041.db2.gz SEZRIDSGQAJTAX-JSGCOSHPSA-N 2 1 274.368 0.794 20 30 CCEDMP C=CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001332621684 918322635 /nfs/dbraw/zinc/32/26/35/918322635.db2.gz VLIUBIPWHQBTFP-GJZGRUSLSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001332621684 918322651 /nfs/dbraw/zinc/32/26/51/918322651.db2.gz VLIUBIPWHQBTFP-GJZGRUSLSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CCCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001332621684 918322666 /nfs/dbraw/zinc/32/26/66/918322666.db2.gz VLIUBIPWHQBTFP-GJZGRUSLSA-N 2 1 297.443 0.798 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001332647074 918349841 /nfs/dbraw/zinc/34/98/41/918349841.db2.gz HFQIQEXHXQLTIV-CQSZACIVSA-N 2 1 295.427 0.245 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCO)C1 ZINC001333081983 918641477 /nfs/dbraw/zinc/64/14/77/918641477.db2.gz JSSSASXGPQFILM-NRXISQOPSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCO)C1 ZINC001333081983 918641488 /nfs/dbraw/zinc/64/14/88/918641488.db2.gz JSSSASXGPQFILM-NRXISQOPSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001333245726 918750406 /nfs/dbraw/zinc/75/04/06/918750406.db2.gz NRGGLSBXXWTRPU-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001406249613 919137151 /nfs/dbraw/zinc/13/71/51/919137151.db2.gz ULQFBJYRPOLYNQ-VXGBXAGGSA-N 2 1 289.807 0.290 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+][C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001336727350 920959333 /nfs/dbraw/zinc/95/93/33/920959333.db2.gz HCOVLVIERIRORQ-AAEUAGOBSA-N 2 1 260.341 0.842 20 30 CCEDMP C#CC[NH2+]CC(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001340206065 922006710 /nfs/dbraw/zinc/00/67/10/922006710.db2.gz PIKHPWUNYBJREW-UHFFFAOYSA-N 2 1 289.379 0.813 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001479963890 924961458 /nfs/dbraw/zinc/96/14/58/924961458.db2.gz YORFFYAJNAUTMC-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001479963890 924961463 /nfs/dbraw/zinc/96/14/63/924961463.db2.gz YORFFYAJNAUTMC-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]CCC(=O)NCC#C)CC1 ZINC001353317228 925791582 /nfs/dbraw/zinc/79/15/82/925791582.db2.gz VFIMDDDDUNKFLG-UHFFFAOYSA-N 2 1 261.369 0.203 20 30 CCEDMP N#CCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001353402730 925821985 /nfs/dbraw/zinc/82/19/85/925821985.db2.gz MOMIRLUHNWIOFV-OKILXGFUSA-N 2 1 291.399 0.510 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC001447657774 930679697 /nfs/dbraw/zinc/67/96/97/930679697.db2.gz OIXJODFACMXHAG-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC001448874518 931013780 /nfs/dbraw/zinc/01/37/80/931013780.db2.gz RIXQEVUIYWFWLD-DZGCQCFKSA-N 2 1 283.416 0.408 20 30 CCEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001448874518 931013791 /nfs/dbraw/zinc/01/37/91/931013791.db2.gz RIXQEVUIYWFWLD-DZGCQCFKSA-N 2 1 283.416 0.408 20 30 CCEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001448874518 931013800 /nfs/dbraw/zinc/01/38/00/931013800.db2.gz RIXQEVUIYWFWLD-DZGCQCFKSA-N 2 1 283.416 0.408 20 30 CCEDMP CC[C@@H]1[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC[N@H+]1C ZINC000601043108 362140832 /nfs/dbraw/zinc/14/08/32/362140832.db2.gz SFHLMACQTUASLV-QWHCGFSZSA-N 2 1 278.400 0.821 20 30 CCEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000602614416 362714294 /nfs/dbraw/zinc/71/42/94/362714294.db2.gz YMFZUCBQIZNCNG-UKRRQHHQSA-N 2 1 281.400 0.742 20 30 CCEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000602614416 362714300 /nfs/dbraw/zinc/71/43/00/362714300.db2.gz YMFZUCBQIZNCNG-UKRRQHHQSA-N 2 1 281.400 0.742 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000063178503 348680901 /nfs/dbraw/zinc/68/09/01/348680901.db2.gz GLIXQJBRBPJGEN-OAHLLOKOSA-N 2 1 286.379 0.845 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000491672315 358296650 /nfs/dbraw/zinc/29/66/50/358296650.db2.gz TYKONIKFVCYVPF-UHFFFAOYSA-N 2 1 294.443 0.973 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000573438763 358966861 /nfs/dbraw/zinc/96/68/61/358966861.db2.gz LACFIUBXICGRKC-JALIKCBVSA-N 2 1 280.416 0.408 20 30 CCEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@@H+](C)C1CC1 ZINC000594437108 360305385 /nfs/dbraw/zinc/30/53/85/360305385.db2.gz IAZBDNQIOYRNSC-AAEUAGOBSA-N 2 1 266.389 0.997 20 30 CCEDMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438843 360306839 /nfs/dbraw/zinc/30/68/39/360306839.db2.gz QABZZKPOKBTUOG-KBPBESRZSA-N 2 1 296.415 0.625 20 30 CCEDMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439502 360309080 /nfs/dbraw/zinc/30/90/80/360309080.db2.gz RIAAXZUCFSORJV-STQMWFEESA-N 2 1 266.389 0.856 20 30 CCEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCC#N)CC[C@@H]21 ZINC000332715374 260020693 /nfs/dbraw/zinc/02/06/93/260020693.db2.gz QAIAWWOHPOQVPT-MCIONIFRSA-N 2 1 278.400 0.950 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000360333381 389196436 /nfs/dbraw/zinc/19/64/36/389196436.db2.gz IAWFOXBUGFGDCT-ZBFHGGJFSA-N 2 1 289.423 0.884 20 30 CCEDMP CNC(=O)NC(=O)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000330420194 389227346 /nfs/dbraw/zinc/22/73/46/389227346.db2.gz FJLFREVGNZFHSU-UHFFFAOYSA-N 2 1 284.404 0.841 20 30 CCEDMP C[C@H]1COCC[NH+](CC#CC[N@H+]2CCOC[C@H](C)C2)C1 ZINC000367063524 389317648 /nfs/dbraw/zinc/31/76/48/389317648.db2.gz XBOUVHWSEXZGGD-HZPDHXFCSA-N 2 1 280.412 0.926 20 30 CCEDMP C[C@H]1COCC[NH+](CC#CC[N@@H+]2CCOC[C@H](C)C2)C1 ZINC000367063524 389317652 /nfs/dbraw/zinc/31/76/52/389317652.db2.gz XBOUVHWSEXZGGD-HZPDHXFCSA-N 2 1 280.412 0.926 20 30 CCEDMP C[NH+]=C(NCCn1ccnc1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261965271 389278684 /nfs/dbraw/zinc/27/86/84/389278684.db2.gz LGODPCLSUZOJQD-TZMCWYRMSA-N 2 1 290.415 0.531 20 30 CCEDMP C[C@@H]1C[NH+]=C(NCc2cccnc2N2CC[NH+](C)CC2)N1 ZINC000262667046 389292849 /nfs/dbraw/zinc/29/28/49/389292849.db2.gz PDIMXKGKMUMYGI-GFCCVEGCSA-N 2 1 288.399 0.271 20 30 CCEDMP C=CCNC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000264101822 389306673 /nfs/dbraw/zinc/30/66/73/389306673.db2.gz OJWQCZIDJCMQRY-UHFFFAOYSA-N 2 1 288.399 0.424 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163262952 389427017 /nfs/dbraw/zinc/42/70/17/389427017.db2.gz CKQUGMMRQMKLSI-OLZOCXBDSA-N 2 1 251.374 0.856 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163262952 389427020 /nfs/dbraw/zinc/42/70/20/389427020.db2.gz CKQUGMMRQMKLSI-OLZOCXBDSA-N 2 1 251.374 0.856 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397236591 389777876 /nfs/dbraw/zinc/77/78/76/389777876.db2.gz BSNYVAORDAGHLP-UTUOFQBUSA-N 2 1 282.388 0.303 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397236591 389777877 /nfs/dbraw/zinc/77/78/77/389777877.db2.gz BSNYVAORDAGHLP-UTUOFQBUSA-N 2 1 282.388 0.303 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000491340109 390112111 /nfs/dbraw/zinc/11/21/11/390112111.db2.gz VOUGOOVWAQEBSZ-ZDUSSCGKSA-N 2 1 266.389 0.240 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000491388092 390112791 /nfs/dbraw/zinc/11/27/91/390112791.db2.gz ZYFXAWVAJKPHHO-LSDHHAIUSA-N 2 1 292.427 0.629 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC000491645558 390115400 /nfs/dbraw/zinc/11/54/00/390115400.db2.gz OUOAPOOKRXYDDX-AWEZNQCLSA-N 2 1 284.400 0.088 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC000491645558 390115401 /nfs/dbraw/zinc/11/54/01/390115401.db2.gz OUOAPOOKRXYDDX-AWEZNQCLSA-N 2 1 284.400 0.088 20 30 CCEDMP C[C@H](C#N)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000530804140 390877429 /nfs/dbraw/zinc/87/74/29/390877429.db2.gz VKBFFGYSAQXKAN-LLVKDONJSA-N 2 1 273.340 0.932 20 30 CCEDMP C=CC[C@@]1(C(=O)NCCC[NH+]2CCN(C)CC2)CCC[NH2+]1 ZINC000662754841 414763336 /nfs/dbraw/zinc/76/33/36/414763336.db2.gz VTMUTLDEHVQJDS-INIZCTEOSA-N 2 1 294.443 0.438 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000364036229 262111399 /nfs/dbraw/zinc/11/13/99/262111399.db2.gz JMNCJXIZMYDWKQ-NWDGAFQWSA-N 2 1 252.362 0.540 20 30 CCEDMP C=CCC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162760368 262377410 /nfs/dbraw/zinc/37/74/10/262377410.db2.gz GLHLOZWTQSTCLH-HUUCEWRRSA-N 2 1 295.427 0.552 20 30 CCEDMP C=CCC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162760368 262377411 /nfs/dbraw/zinc/37/74/11/262377411.db2.gz GLHLOZWTQSTCLH-HUUCEWRRSA-N 2 1 295.427 0.552 20 30 CCEDMP C[C@]1(CO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@@]1(C)CO ZINC000560162191 327287754 /nfs/dbraw/zinc/28/77/54/327287754.db2.gz NOSDWTPMFCVMNG-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP C[C@]1(CO)CCC[N@H+]1CC#CC[NH+]1CCC[C@@]1(C)CO ZINC000560162191 327287756 /nfs/dbraw/zinc/28/77/56/327287756.db2.gz NOSDWTPMFCVMNG-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP C[C@]1(CO)CCC[N@@H+]1CC#CC[NH+]1CCC[C@@]1(C)CO ZINC000560162191 327287758 /nfs/dbraw/zinc/28/77/58/327287758.db2.gz NOSDWTPMFCVMNG-IYBDPMFKSA-N 2 1 280.412 0.683 20 30 CCEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261708284 329978841 /nfs/dbraw/zinc/97/88/41/329978841.db2.gz IPBPMIXNHZLESD-TUAOUCFPSA-N 2 1 270.421 0.915 20 30 CCEDMP C#CCCNC(=[NH+]C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261759534 329981707 /nfs/dbraw/zinc/98/17/07/329981707.db2.gz ODBCOKSNSZEVHN-AWEZNQCLSA-N 2 1 278.400 0.239 20 30 CCEDMP CC(C)CNC(=[NH2+])NC[C@]1([NH+](C)C)CCSC1 ZINC000262434934 330010569 /nfs/dbraw/zinc/01/05/69/330010569.db2.gz FZTXYCPARPGJJH-GFCCVEGCSA-N 2 1 258.435 0.984 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C#N ZINC000262319240 330005743 /nfs/dbraw/zinc/00/57/43/330005743.db2.gz QNWQLKQKKNFJIW-NSHDSACASA-N 2 1 251.378 0.925 20 30 CCEDMP C[C@@H]1CN(C(=[NH2+])N[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000262420115 330009070 /nfs/dbraw/zinc/00/90/70/330009070.db2.gz AWLJGDBLORPVTC-GHMZBOCLSA-N 2 1 263.345 0.233 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262487398 330017183 /nfs/dbraw/zinc/01/71/83/330017183.db2.gz VBJLFXFXRTXCLE-VHSXEESVSA-N 2 1 251.334 0.137 20 30 CCEDMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCOCC1 ZINC000262882158 330036033 /nfs/dbraw/zinc/03/60/33/330036033.db2.gz WCFSIZRCIQRHPB-ZDUSSCGKSA-N 2 1 266.389 0.650 20 30 CCEDMP C[N@H+]1CCN(CCNC(=[NH2+])NC2CCC2)CC1(C)C ZINC000263166884 330046945 /nfs/dbraw/zinc/04/69/45/330046945.db2.gz RJJCNPFQYBXERV-UHFFFAOYSA-N 2 1 267.421 0.469 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424290452 330334615 /nfs/dbraw/zinc/33/46/15/330334615.db2.gz MOUIBEVKTGSBSL-LBPRGKRZSA-N 2 1 251.374 0.753 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000491629907 332252819 /nfs/dbraw/zinc/25/28/19/332252819.db2.gz NCWDMHOFCJJENZ-AWEZNQCLSA-N 2 1 281.400 0.026 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000491631322 332253966 /nfs/dbraw/zinc/25/39/66/332253966.db2.gz NYOGILAVBAUSMX-DZGCQCFKSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000491631322 332253967 /nfs/dbraw/zinc/25/39/67/332253967.db2.gz NYOGILAVBAUSMX-DZGCQCFKSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000491631322 332253969 /nfs/dbraw/zinc/25/39/69/332253969.db2.gz NYOGILAVBAUSMX-DZGCQCFKSA-N 2 1 292.427 0.723 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000491698183 332293378 /nfs/dbraw/zinc/29/33/78/332293378.db2.gz LVRRYAUWIDCZDQ-ZIAGYGMSSA-N 2 1 278.400 0.192 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000491709793 332301668 /nfs/dbraw/zinc/30/16/68/332301668.db2.gz PVQIZLJMXUDEQZ-OAHLLOKOSA-N 2 1 288.395 0.941 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC000491775630 332341497 /nfs/dbraw/zinc/34/14/97/332341497.db2.gz VGSMFBXAAMUGAW-OKILXGFUSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000491817914 332368228 /nfs/dbraw/zinc/36/82/28/332368228.db2.gz JTQLHITXLZMRCE-SOUVJXGZSA-N 2 1 292.427 0.629 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000730281697 581690809 /nfs/dbraw/zinc/69/08/09/581690809.db2.gz SOATZUNWFOAFEW-KKUMJFAQSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000730281697 581690810 /nfs/dbraw/zinc/69/08/10/581690810.db2.gz SOATZUNWFOAFEW-KKUMJFAQSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000730281697 581690813 /nfs/dbraw/zinc/69/08/13/581690813.db2.gz SOATZUNWFOAFEW-KKUMJFAQSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000730281697 581690815 /nfs/dbraw/zinc/69/08/15/581690815.db2.gz SOATZUNWFOAFEW-KKUMJFAQSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000775884776 582044670 /nfs/dbraw/zinc/04/46/70/582044670.db2.gz UUHIKSUEGLODBK-AWEZNQCLSA-N 2 1 261.369 0.462 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000775884776 582044672 /nfs/dbraw/zinc/04/46/72/582044672.db2.gz UUHIKSUEGLODBK-AWEZNQCLSA-N 2 1 261.369 0.462 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000775884776 582044675 /nfs/dbraw/zinc/04/46/75/582044675.db2.gz UUHIKSUEGLODBK-AWEZNQCLSA-N 2 1 261.369 0.462 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000775884776 582044676 /nfs/dbraw/zinc/04/46/76/582044676.db2.gz UUHIKSUEGLODBK-AWEZNQCLSA-N 2 1 261.369 0.462 20 30 CCEDMP C#CCOCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000851843868 612983720 /nfs/dbraw/zinc/98/37/20/612983720.db2.gz NMTYSZRPZUXILO-OAHLLOKOSA-N 2 1 265.401 0.348 20 30 CCEDMP C#CCOCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000851843868 612983721 /nfs/dbraw/zinc/98/37/21/612983721.db2.gz NMTYSZRPZUXILO-OAHLLOKOSA-N 2 1 265.401 0.348 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000981958166 613004996 /nfs/dbraw/zinc/00/49/96/613004996.db2.gz BPXAHHUAUYGUDS-GJZGRUSLSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981958166 613004997 /nfs/dbraw/zinc/00/49/97/613004997.db2.gz BPXAHHUAUYGUDS-GJZGRUSLSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981958166 613004998 /nfs/dbraw/zinc/00/49/98/613004998.db2.gz BPXAHHUAUYGUDS-GJZGRUSLSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000886353381 613074759 /nfs/dbraw/zinc/07/47/59/613074759.db2.gz IEQXVTVMSBUKRU-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000886353381 613074761 /nfs/dbraw/zinc/07/47/61/613074761.db2.gz IEQXVTVMSBUKRU-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000886353381 613074762 /nfs/dbraw/zinc/07/47/62/613074762.db2.gz IEQXVTVMSBUKRU-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000861634967 613076370 /nfs/dbraw/zinc/07/63/70/613076370.db2.gz WAALIXKZHZICTB-QWHCGFSZSA-N 2 1 266.389 0.381 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000836344997 613076745 /nfs/dbraw/zinc/07/67/45/613076745.db2.gz FLJKCRNDAISSKT-ZDUSSCGKSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000836344997 613076747 /nfs/dbraw/zinc/07/67/47/613076747.db2.gz FLJKCRNDAISSKT-ZDUSSCGKSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000836344997 613076748 /nfs/dbraw/zinc/07/67/48/613076748.db2.gz FLJKCRNDAISSKT-ZDUSSCGKSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[N@@H+](C)CCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000894863459 613078451 /nfs/dbraw/zinc/07/84/51/613078451.db2.gz DEOWMCYKBYRJNQ-UHFFFAOYSA-N 2 1 281.444 0.766 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905271209 613078829 /nfs/dbraw/zinc/07/88/29/613078829.db2.gz ALBXQNPIMTXKNX-OAHLLOKOSA-N 2 1 282.428 0.977 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905271209 613078831 /nfs/dbraw/zinc/07/88/31/613078831.db2.gz ALBXQNPIMTXKNX-OAHLLOKOSA-N 2 1 282.428 0.977 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939750021 612969110 /nfs/dbraw/zinc/96/91/10/612969110.db2.gz XPELIKUBWWMJCD-DGCLKSJQSA-N 2 1 260.341 0.261 20 30 CCEDMP C#CCN(C(=O)CC[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000886582463 613065538 /nfs/dbraw/zinc/06/55/38/613065538.db2.gz VWBWQFOLMZCMKH-UHFFFAOYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC000818606593 613072443 /nfs/dbraw/zinc/07/24/43/613072443.db2.gz YLHIWOLOWACPBC-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000861634670 613073894 /nfs/dbraw/zinc/07/38/94/613073894.db2.gz PXERFTQGANGPRV-AWEZNQCLSA-N 2 1 280.416 0.581 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000841910471 613074105 /nfs/dbraw/zinc/07/41/05/613074105.db2.gz RFUWFVPUYXNONW-ZIAGYGMSSA-N 2 1 280.416 0.710 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000895057952 613074467 /nfs/dbraw/zinc/07/44/67/613074467.db2.gz XQZKAGMQRXSHEL-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000895057952 613074469 /nfs/dbraw/zinc/07/44/69/613074469.db2.gz XQZKAGMQRXSHEL-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000895057952 613074470 /nfs/dbraw/zinc/07/44/70/613074470.db2.gz XQZKAGMQRXSHEL-HUUCEWRRSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971551418 613082661 /nfs/dbraw/zinc/08/26/61/613082661.db2.gz JCKQXYQDDRCWIW-HUUCEWRRSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000972743303 613087924 /nfs/dbraw/zinc/08/79/24/613087924.db2.gz PVKBKBKULSKAEY-CYBMUJFWSA-N 2 1 286.379 0.927 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000928650127 613136909 /nfs/dbraw/zinc/13/69/09/613136909.db2.gz YZPCJTTYNBEZLQ-LSDHHAIUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000923557029 613166677 /nfs/dbraw/zinc/16/66/77/613166677.db2.gz JOXRXDQUXKJMQP-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000923557029 613166679 /nfs/dbraw/zinc/16/66/79/613166679.db2.gz JOXRXDQUXKJMQP-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000923557029 613166683 /nfs/dbraw/zinc/16/66/83/613166683.db2.gz JOXRXDQUXKJMQP-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000923557029 613166685 /nfs/dbraw/zinc/16/66/85/613166685.db2.gz JOXRXDQUXKJMQP-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC000923571396 613172854 /nfs/dbraw/zinc/17/28/54/613172854.db2.gz WYKPODSABJAJCS-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC000923571396 613172855 /nfs/dbraw/zinc/17/28/55/613172855.db2.gz WYKPODSABJAJCS-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC000923579081 613181994 /nfs/dbraw/zinc/18/19/94/613181994.db2.gz NDJPTZOYWBAOEZ-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC000923579081 613181995 /nfs/dbraw/zinc/18/19/95/613181995.db2.gz NDJPTZOYWBAOEZ-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC000923579081 613181996 /nfs/dbraw/zinc/18/19/96/613181996.db2.gz NDJPTZOYWBAOEZ-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC000923579081 613181997 /nfs/dbraw/zinc/18/19/97/613181997.db2.gz NDJPTZOYWBAOEZ-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[NH+](C)C)C1 ZINC000890370864 613183100 /nfs/dbraw/zinc/18/31/00/613183100.db2.gz HIFZXFZXBHLKMO-ZDUSSCGKSA-N 2 1 266.389 0.287 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[NH+](C)C)C1 ZINC000890370864 613183102 /nfs/dbraw/zinc/18/31/02/613183102.db2.gz HIFZXFZXBHLKMO-ZDUSSCGKSA-N 2 1 266.389 0.287 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@@H+](CC)CC2)C1 ZINC000890369640 613183588 /nfs/dbraw/zinc/18/35/88/613183588.db2.gz YJTWOZUKOUOGRX-HNNXBMFYSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000890369640 613183589 /nfs/dbraw/zinc/18/35/89/613183589.db2.gz YJTWOZUKOUOGRX-HNNXBMFYSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[NH+](CC)CC2)C1 ZINC000890369640 613183591 /nfs/dbraw/zinc/18/35/91/613183591.db2.gz YJTWOZUKOUOGRX-HNNXBMFYSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](CC)CC2)C1 ZINC000890369640 613183593 /nfs/dbraw/zinc/18/35/93/613183593.db2.gz YJTWOZUKOUOGRX-HNNXBMFYSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+](CC)C2CC2)C1 ZINC000884128755 613184974 /nfs/dbraw/zinc/18/49/74/613184974.db2.gz NGICJWHEOGYRCW-AWEZNQCLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+](CC)C2CC2)C1 ZINC000884128755 613184975 /nfs/dbraw/zinc/18/49/75/613184975.db2.gz NGICJWHEOGYRCW-AWEZNQCLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+](CC)C2CC2)C1 ZINC000884128755 613184976 /nfs/dbraw/zinc/18/49/76/613184976.db2.gz NGICJWHEOGYRCW-AWEZNQCLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](CC)C2CC2)C1 ZINC000884128755 613184977 /nfs/dbraw/zinc/18/49/77/613184977.db2.gz NGICJWHEOGYRCW-AWEZNQCLSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000732061980 613199181 /nfs/dbraw/zinc/19/91/81/613199181.db2.gz NCEZUYYVDITBMG-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000732061980 613199182 /nfs/dbraw/zinc/19/91/82/613199182.db2.gz NCEZUYYVDITBMG-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC)C1 ZINC000732061980 613199183 /nfs/dbraw/zinc/19/91/83/613199183.db2.gz NCEZUYYVDITBMG-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC)C1 ZINC000732061980 613199184 /nfs/dbraw/zinc/19/91/84/613199184.db2.gz NCEZUYYVDITBMG-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000832496487 613201403 /nfs/dbraw/zinc/20/14/03/613201403.db2.gz STXQCLYIMDWWDJ-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000832496487 613201404 /nfs/dbraw/zinc/20/14/04/613201404.db2.gz STXQCLYIMDWWDJ-MCIONIFRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948052256 613225944 /nfs/dbraw/zinc/22/59/44/613225944.db2.gz CLNDLNQRRCJENU-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968191327 613246675 /nfs/dbraw/zinc/24/66/75/613246675.db2.gz MICNXEDRGYPPSB-ZFWWWQNUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968191327 613246676 /nfs/dbraw/zinc/24/66/76/613246676.db2.gz MICNXEDRGYPPSB-ZFWWWQNUSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048299 613297243 /nfs/dbraw/zinc/29/72/43/613297243.db2.gz HDAMOHUVWAVKAV-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048299 613297245 /nfs/dbraw/zinc/29/72/45/613297245.db2.gz HDAMOHUVWAVKAV-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048299 613297246 /nfs/dbraw/zinc/29/72/46/613297246.db2.gz HDAMOHUVWAVKAV-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048299 613297248 /nfs/dbraw/zinc/29/72/48/613297248.db2.gz HDAMOHUVWAVKAV-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900604150 613304831 /nfs/dbraw/zinc/30/48/31/613304831.db2.gz BBHLOLIDQNAUIT-ZBFHGGJFSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)COCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000126163356 613351866 /nfs/dbraw/zinc/35/18/66/613351866.db2.gz DJGVKGPJQFGSAD-CYBMUJFWSA-N 2 1 268.405 0.968 20 30 CCEDMP C=C(C)[C@@H](CO)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000929980861 613360402 /nfs/dbraw/zinc/36/04/02/613360402.db2.gz LCLBBDMNUOLWSE-LSDHHAIUSA-N 2 1 267.417 0.635 20 30 CCEDMP C=C(C)[C@@H](CO)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000929980861 613360403 /nfs/dbraw/zinc/36/04/03/613360403.db2.gz LCLBBDMNUOLWSE-LSDHHAIUSA-N 2 1 267.417 0.635 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000907598224 613363904 /nfs/dbraw/zinc/36/39/04/613363904.db2.gz AIEYSLDJYVHPLD-UHFFFAOYSA-N 2 1 283.416 0.409 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000907598224 613363905 /nfs/dbraw/zinc/36/39/05/613363905.db2.gz AIEYSLDJYVHPLD-UHFFFAOYSA-N 2 1 283.416 0.409 20 30 CCEDMP C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000958377192 613382618 /nfs/dbraw/zinc/38/26/18/613382618.db2.gz AZIHHHRXKRLLKF-XQHKEYJVSA-N 2 1 283.803 0.880 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000958377192 613382619 /nfs/dbraw/zinc/38/26/19/613382619.db2.gz AZIHHHRXKRLLKF-XQHKEYJVSA-N 2 1 283.803 0.880 20 30 CCEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958377192 613382621 /nfs/dbraw/zinc/38/26/21/613382621.db2.gz AZIHHHRXKRLLKF-XQHKEYJVSA-N 2 1 283.803 0.880 20 30 CCEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958377192 613382622 /nfs/dbraw/zinc/38/26/22/613382622.db2.gz AZIHHHRXKRLLKF-XQHKEYJVSA-N 2 1 283.803 0.880 20 30 CCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969945980 613486140 /nfs/dbraw/zinc/48/61/40/613486140.db2.gz ZEQNYVXZWLHRNU-VNHYZAJKSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969945980 613486142 /nfs/dbraw/zinc/48/61/42/613486142.db2.gz ZEQNYVXZWLHRNU-VNHYZAJKSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000957649612 613508486 /nfs/dbraw/zinc/50/84/86/613508486.db2.gz POWUCAPZMZBLKH-ZDUSSCGKSA-N 2 1 251.374 0.658 20 30 CCEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595020 613551731 /nfs/dbraw/zinc/55/17/31/613551731.db2.gz OGFCOGNIOPHWQJ-KBPBESRZSA-N 2 1 293.411 0.067 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549148 613574254 /nfs/dbraw/zinc/57/42/54/613574254.db2.gz NKLFMARTEGVVSG-HUUCEWRRSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923346304 613590919 /nfs/dbraw/zinc/59/09/19/613590919.db2.gz QYELELZKMCSLOM-KGLIPLIRSA-N 2 1 283.416 0.633 20 30 CCEDMP C=CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981208738 613694244 /nfs/dbraw/zinc/69/42/44/613694244.db2.gz BSFNEUMRBZXDMU-LSDHHAIUSA-N 2 1 293.411 0.570 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000981208738 613694246 /nfs/dbraw/zinc/69/42/46/613694246.db2.gz BSFNEUMRBZXDMU-LSDHHAIUSA-N 2 1 293.411 0.570 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000981208738 613694248 /nfs/dbraw/zinc/69/42/48/613694248.db2.gz BSFNEUMRBZXDMU-LSDHHAIUSA-N 2 1 293.411 0.570 20 30 CCEDMP CC1(C)[C@@H](O)CC[NH+]1CC#CC[N@@H+]1CC[C@H](O)C1(C)C ZINC000812868797 614855458 /nfs/dbraw/zinc/85/54/58/614855458.db2.gz NRDKTWDEQVYXJD-KBPBESRZSA-N 2 1 280.412 0.680 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834483982 615112446 /nfs/dbraw/zinc/11/24/46/615112446.db2.gz BZLDORMLOGINRD-SDDRHHMPSA-N 2 1 250.346 0.089 20 30 CCEDMP C[N@@H+](CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N)CC(C)(C)C ZINC000876801517 616049223 /nfs/dbraw/zinc/04/92/23/616049223.db2.gz DXSIKAPGSBEOOJ-MNOVXSKESA-N 2 1 252.362 0.192 20 30 CCEDMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801964 616125623 /nfs/dbraw/zinc/12/56/23/616125623.db2.gz KXBPIWCDUHXWRQ-LSDHHAIUSA-N 2 1 286.379 0.389 20 30 CCEDMP C[NH+]1CCC2(CC1)C[N@@H+](CCOCCC#N)CCO2 ZINC000830653088 616177092 /nfs/dbraw/zinc/17/70/92/616177092.db2.gz UHGKJSYMWJZOQX-UHFFFAOYSA-N 2 1 267.373 0.713 20 30 CCEDMP C[N@H+]1CCC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884197666 616206881 /nfs/dbraw/zinc/20/68/81/616206881.db2.gz ARRHKVMYFAQMEZ-FMPXUHTOSA-N 2 1 276.384 0.336 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026099975 625333743 /nfs/dbraw/zinc/33/37/43/625333743.db2.gz PILIRHDZTHEJMC-OWYFMNJBSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026099975 625333744 /nfs/dbraw/zinc/33/37/44/625333744.db2.gz PILIRHDZTHEJMC-OWYFMNJBSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001024376950 623300707 /nfs/dbraw/zinc/30/07/07/623300707.db2.gz FXXZKQVPKNLLMH-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024376950 623300715 /nfs/dbraw/zinc/30/07/15/623300715.db2.gz FXXZKQVPKNLLMH-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024376950 623300718 /nfs/dbraw/zinc/30/07/18/623300718.db2.gz FXXZKQVPKNLLMH-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024376950 623300727 /nfs/dbraw/zinc/30/07/27/623300727.db2.gz FXXZKQVPKNLLMH-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C(C)C)C1 ZINC001026893620 625653751 /nfs/dbraw/zinc/65/37/51/625653751.db2.gz LXTQTBDRWBIQFQ-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C(C)C)C1 ZINC001026893620 625653754 /nfs/dbraw/zinc/65/37/54/625653754.db2.gz LXTQTBDRWBIQFQ-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001020517897 624500130 /nfs/dbraw/zinc/50/01/30/624500130.db2.gz RCNPYEZEUMTAPD-MGPQQGTHSA-N 2 1 286.379 0.624 20 30 CCEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N(C)C[C@@H]1CCOC1 ZINC000261603413 624808210 /nfs/dbraw/zinc/80/82/10/624808210.db2.gz CNTDZNDUKLQSEF-RYUDHWBXSA-N 2 1 256.394 0.480 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027332202 625834350 /nfs/dbraw/zinc/83/43/50/625834350.db2.gz MYBHKWIRVAFBQL-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001027332202 625834353 /nfs/dbraw/zinc/83/43/53/625834353.db2.gz MYBHKWIRVAFBQL-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001027332202 625834358 /nfs/dbraw/zinc/83/43/58/625834358.db2.gz MYBHKWIRVAFBQL-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027346075 625843051 /nfs/dbraw/zinc/84/30/51/625843051.db2.gz CQOPALLZBRITFY-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027346075 625843055 /nfs/dbraw/zinc/84/30/55/625843055.db2.gz CQOPALLZBRITFY-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001027346075 625843061 /nfs/dbraw/zinc/84/30/61/625843061.db2.gz CQOPALLZBRITFY-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001027346075 625843065 /nfs/dbraw/zinc/84/30/65/625843065.db2.gz CQOPALLZBRITFY-HUUCEWRRSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCF)C1 ZINC001027446592 625887277 /nfs/dbraw/zinc/88/72/77/625887277.db2.gz OTKQVEKSLXGOFI-CABCVRRESA-N 2 1 295.402 0.976 20 30 CCEDMP N#C[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000903987782 634704292 /nfs/dbraw/zinc/70/42/92/634704292.db2.gz IZLFAZOHHMWSHW-STQMWFEESA-N 2 1 264.373 0.419 20 30 CCEDMP N#C[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000903987782 634704296 /nfs/dbraw/zinc/70/42/96/634704296.db2.gz IZLFAZOHHMWSHW-STQMWFEESA-N 2 1 264.373 0.419 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680342 630848996 /nfs/dbraw/zinc/84/89/96/630848996.db2.gz DBEJZIMNPIZZDY-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680342 630849001 /nfs/dbraw/zinc/84/90/01/630849001.db2.gz DBEJZIMNPIZZDY-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680342 630849006 /nfs/dbraw/zinc/84/90/06/630849006.db2.gz DBEJZIMNPIZZDY-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000985469922 632501637 /nfs/dbraw/zinc/50/16/37/632501637.db2.gz LJPHULUGOXFGHS-HNNXBMFYSA-N 2 1 277.412 0.883 20 30 CCEDMP CCNC(NC[C@H](C)C[NH+]1CCOCC1)=[NH+]CC ZINC000304295428 632509031 /nfs/dbraw/zinc/50/90/31/632509031.db2.gz NGXGSNAJQRPYQX-LBPRGKRZSA-N 2 1 256.394 0.530 20 30 CCEDMP C#CC[N@@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000985539273 632541432 /nfs/dbraw/zinc/54/14/32/632541432.db2.gz JAHVLKUIBKBXHA-UHFFFAOYSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000985539273 632541437 /nfs/dbraw/zinc/54/14/37/632541437.db2.gz JAHVLKUIBKBXHA-UHFFFAOYSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000985787793 632642441 /nfs/dbraw/zinc/64/24/41/632642441.db2.gz QCHPODXKGWTFRF-ZDUSSCGKSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000985787793 632642445 /nfs/dbraw/zinc/64/24/45/632642445.db2.gz QCHPODXKGWTFRF-ZDUSSCGKSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985787793 632642450 /nfs/dbraw/zinc/64/24/50/632642450.db2.gz QCHPODXKGWTFRF-ZDUSSCGKSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009507355 650146035 /nfs/dbraw/zinc/14/60/35/650146035.db2.gz GYXBRKPUFNOEQJ-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009507355 650146037 /nfs/dbraw/zinc/14/60/37/650146037.db2.gz GYXBRKPUFNOEQJ-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009507355 650146039 /nfs/dbraw/zinc/14/60/39/650146039.db2.gz GYXBRKPUFNOEQJ-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C[C@H](C(=O)NCC#CC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000913517912 636834282 /nfs/dbraw/zinc/83/42/82/636834282.db2.gz VFMAAFUECVEBNR-HZSPNIEDSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992483776 637447983 /nfs/dbraw/zinc/44/79/83/637447983.db2.gz ZDIZMUAWHAANPY-ZBFHGGJFSA-N 2 1 286.379 0.938 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992483776 637447995 /nfs/dbraw/zinc/44/79/95/637447995.db2.gz ZDIZMUAWHAANPY-ZBFHGGJFSA-N 2 1 286.379 0.938 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000996929215 638844367 /nfs/dbraw/zinc/84/43/67/638844367.db2.gz MTBOFJHZVLMZOK-OAHLLOKOSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000996929215 638844369 /nfs/dbraw/zinc/84/43/69/638844369.db2.gz MTBOFJHZVLMZOK-OAHLLOKOSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000996929213 638844476 /nfs/dbraw/zinc/84/44/76/638844476.db2.gz MTBOFJHZVLMZOK-HNNXBMFYSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000996929213 638844477 /nfs/dbraw/zinc/84/44/77/638844477.db2.gz MTBOFJHZVLMZOK-HNNXBMFYSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997421030 638867631 /nfs/dbraw/zinc/86/76/31/638867631.db2.gz MSKZHDJXCWIHBH-HIFRSBDPSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000999372861 638976602 /nfs/dbraw/zinc/97/66/02/638976602.db2.gz PGHFJVHRZRBIRM-UONOGXRCSA-N 2 1 286.379 0.974 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999498570 638983511 /nfs/dbraw/zinc/98/35/11/638983511.db2.gz WNKIBCGUTXEPLG-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999498570 638983514 /nfs/dbraw/zinc/98/35/14/638983514.db2.gz WNKIBCGUTXEPLG-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001000019534 639035446 /nfs/dbraw/zinc/03/54/46/639035446.db2.gz GMHLDASHMGVQRK-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001000851988 639182083 /nfs/dbraw/zinc/18/20/83/639182083.db2.gz PPSGLBMFGUORRO-HNNXBMFYSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001014728070 650482238 /nfs/dbraw/zinc/48/22/38/650482238.db2.gz KPGFMKIJOLUIFZ-ZIAGYGMSSA-N 2 1 286.379 0.974 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001014728070 650482241 /nfs/dbraw/zinc/48/22/41/650482241.db2.gz KPGFMKIJOLUIFZ-ZIAGYGMSSA-N 2 1 286.379 0.974 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001014727489 650482326 /nfs/dbraw/zinc/48/23/26/650482326.db2.gz IMKSYYJACJXVNJ-OLZOCXBDSA-N 2 1 272.352 0.584 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001014727489 650482331 /nfs/dbraw/zinc/48/23/31/650482331.db2.gz IMKSYYJACJXVNJ-OLZOCXBDSA-N 2 1 272.352 0.584 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003629467 639579782 /nfs/dbraw/zinc/57/97/82/639579782.db2.gz BFAHGWNJKKBUJF-OCCSQVGLSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001005178327 639886224 /nfs/dbraw/zinc/88/62/24/639886224.db2.gz HSAAXBMKFAOXHK-CQSZACIVSA-N 2 1 263.385 0.637 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015289253 650551308 /nfs/dbraw/zinc/55/13/08/650551308.db2.gz IAJIIYUCVAFNGO-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015289253 650551311 /nfs/dbraw/zinc/55/13/11/650551311.db2.gz IAJIIYUCVAFNGO-ZDUSSCGKSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003686 650673264 /nfs/dbraw/zinc/67/32/64/650673264.db2.gz MWCQKECAZJTSGP-CYBMUJFWSA-N 2 1 263.385 0.849 20 30 CCEDMP C[C@@H](C#N)OCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830653224 642282750 /nfs/dbraw/zinc/28/27/50/642282750.db2.gz WATSIHRNHMRGFA-ZDUSSCGKSA-N 2 1 267.373 0.712 20 30 CCEDMP C[C@@H](C#N)OCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830653224 642282752 /nfs/dbraw/zinc/28/27/52/642282752.db2.gz WATSIHRNHMRGFA-ZDUSSCGKSA-N 2 1 267.373 0.712 20 30 CCEDMP C[C@@H](C#N)OCCN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852707789 643989651 /nfs/dbraw/zinc/98/96/51/643989651.db2.gz KXZQRTJXBBQUSA-GXTWGEPZSA-N 2 1 267.373 0.446 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001020288701 651056388 /nfs/dbraw/zinc/05/63/88/651056388.db2.gz HLIXXNIZMDQJIW-KBUPBQIOSA-N 2 1 275.396 0.873 20 30 CCEDMP C=C1CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878087496 646868449 /nfs/dbraw/zinc/86/84/49/646868449.db2.gz OUXDJIJOBNQVRD-UHFFFAOYSA-N 2 1 251.374 0.849 20 30 CCEDMP C#CC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878761649 646975189 /nfs/dbraw/zinc/97/51/89/646975189.db2.gz QOFGHPOPOQTOFG-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C[C@H]1C[N@H+](C[C@H](O)CC#N)CCN1c1cc[nH+]cc1 ZINC000931684951 649017021 /nfs/dbraw/zinc/01/70/21/649017021.db2.gz WRXKKHNUWJLYBM-GXTWGEPZSA-N 2 1 260.341 0.867 20 30 CCEDMP C[C@H]1C[N@@H+](C[C@H](O)CC#N)CCN1c1cc[nH+]cc1 ZINC000931684951 649017024 /nfs/dbraw/zinc/01/70/24/649017024.db2.gz WRXKKHNUWJLYBM-GXTWGEPZSA-N 2 1 260.341 0.867 20 30 CCEDMP CC[N@@H+](CCNC(=[NH2+])NC[C@@H]1CCC[NH+]1CC)C1CC1 ZINC000303971359 649827281 /nfs/dbraw/zinc/82/72/81/649827281.db2.gz DLSRXGOBPOVAOD-AWEZNQCLSA-N 3 1 281.448 0.859 20 30 CCEDMP CC[NH+](CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)C1CC1 ZINC000303971359 649827283 /nfs/dbraw/zinc/82/72/83/649827283.db2.gz DLSRXGOBPOVAOD-AWEZNQCLSA-N 3 1 281.448 0.859 20 30 CCEDMP CC[NH+](CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)C1CC1 ZINC000303971359 649827284 /nfs/dbraw/zinc/82/72/84/649827284.db2.gz DLSRXGOBPOVAOD-AWEZNQCLSA-N 3 1 281.448 0.859 20 30 CCEDMP CCN(CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)C1CC1 ZINC000303971359 649827285 /nfs/dbraw/zinc/82/72/85/649827285.db2.gz DLSRXGOBPOVAOD-AWEZNQCLSA-N 2 1 281.448 0.859 20 30 CCEDMP CCN(CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)C1CC1 ZINC000303971359 649827286 /nfs/dbraw/zinc/82/72/86/649827286.db2.gz DLSRXGOBPOVAOD-AWEZNQCLSA-N 2 1 281.448 0.859 20 30 CCEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001266415175 790660621 /nfs/dbraw/zinc/66/06/21/790660621.db2.gz RNIBWWRVVOMRBE-CABCVRRESA-N 2 1 277.412 0.978 20 30 CCEDMP CC[N@H+](CC#CCOC)CCNC(=O)C[NH+]1CCCC1 ZINC001266437585 790702578 /nfs/dbraw/zinc/70/25/78/790702578.db2.gz FKNLAKXCALAAIY-UHFFFAOYSA-N 2 1 281.400 0.170 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001266534411 790888719 /nfs/dbraw/zinc/88/87/19/790888719.db2.gz IJPQMMPGXHLRJX-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001266619183 791044569 /nfs/dbraw/zinc/04/45/69/791044569.db2.gz BYFPPQQDBXKNEE-LBPRGKRZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001266619183 791044578 /nfs/dbraw/zinc/04/45/78/791044578.db2.gz BYFPPQQDBXKNEE-LBPRGKRZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001266619183 791044588 /nfs/dbraw/zinc/04/45/88/791044588.db2.gz BYFPPQQDBXKNEE-LBPRGKRZSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266798444 791243668 /nfs/dbraw/zinc/24/36/68/791243668.db2.gz LMXCUFDTLOYCBQ-CQSZACIVSA-N 2 1 274.368 0.653 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267068782 791496096 /nfs/dbraw/zinc/49/60/96/791496096.db2.gz ITVJQGCMMLZACI-UONOGXRCSA-N 2 1 263.385 0.400 20 30 CCEDMP C=CC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001098572606 791689862 /nfs/dbraw/zinc/68/98/62/791689862.db2.gz QKKCCVNMKGKUEG-UHFFFAOYSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572606 791689866 /nfs/dbraw/zinc/68/98/66/791689866.db2.gz QKKCCVNMKGKUEG-UHFFFAOYSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572606 791689872 /nfs/dbraw/zinc/68/98/72/791689872.db2.gz QKKCCVNMKGKUEG-UHFFFAOYSA-N 2 1 297.443 0.798 20 30 CCEDMP N#Cc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)s1 ZINC001234990979 806338716 /nfs/dbraw/zinc/33/87/16/806338716.db2.gz OUSBKXGXJREHAA-CYBMUJFWSA-N 2 1 262.382 0.757 20 30 CCEDMP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCC#N)CC3)[C@H]2C1 ZINC001277942797 806415865 /nfs/dbraw/zinc/41/58/65/806415865.db2.gz DTULKMVICJQVRP-STQMWFEESA-N 2 1 276.384 0.432 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001277978955 806544048 /nfs/dbraw/zinc/54/40/48/806544048.db2.gz NGJBAYPZYRZVOQ-CQSZACIVSA-N 2 1 283.416 0.415 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001122447562 799238156 /nfs/dbraw/zinc/23/81/56/799238156.db2.gz FPQTXWPBYFYBIX-MELADBBJSA-N 2 1 282.432 0.421 20 30 CCEDMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001151147165 800404366 /nfs/dbraw/zinc/40/43/66/800404366.db2.gz GFZAFCKZGUPJTR-UHFFFAOYSA-N 2 1 296.374 0.949 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001152522026 800534921 /nfs/dbraw/zinc/53/49/21/800534921.db2.gz IPAVQMOXHUKPLO-CQSZACIVSA-N 2 1 259.353 0.628 20 30 CCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904743 800864918 /nfs/dbraw/zinc/86/49/18/800864918.db2.gz XNVFPVKZROFJMU-OAHLLOKOSA-N 2 1 297.443 0.805 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155024127 800893938 /nfs/dbraw/zinc/89/39/38/800893938.db2.gz QYISEXFMIYIQBT-CYBMUJFWSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158506523 801659778 /nfs/dbraw/zinc/65/97/78/801659778.db2.gz KZFQQNZOEVWEQS-HUUCEWRRSA-N 2 1 295.427 0.912 20 30 CCEDMP N#Cc1cncc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160510740 801955371 /nfs/dbraw/zinc/95/53/71/801955371.db2.gz JHIBZGQVNKVJKT-ZDUSSCGKSA-N 2 1 258.329 0.183 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207683921 803437297 /nfs/dbraw/zinc/43/72/97/803437297.db2.gz IEKCLIHSYGGNOX-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506140 803609085 /nfs/dbraw/zinc/60/90/85/803609085.db2.gz GAKMDBCFJDKLDP-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506140 803609088 /nfs/dbraw/zinc/60/90/88/803609088.db2.gz GAKMDBCFJDKLDP-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCn2ccnc2)[C@H](OC)C1 ZINC001213241752 803686904 /nfs/dbraw/zinc/68/69/04/803686904.db2.gz MRLFOELJAMHNRO-ZIAGYGMSSA-N 2 1 290.367 0.112 20 30 CCEDMP C#CCCN1C[C@@H](NC(=O)CCn2ccnc2)[C@H](OC)C1 ZINC001213241752 803686910 /nfs/dbraw/zinc/68/69/10/803686910.db2.gz MRLFOELJAMHNRO-ZIAGYGMSSA-N 2 1 290.367 0.112 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342381 803690266 /nfs/dbraw/zinc/69/02/66/803690266.db2.gz USECSGAFYCXLIS-ZIAGYGMSSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213457978 803695209 /nfs/dbraw/zinc/69/52/09/803695209.db2.gz KFERXEDVVBRBMT-HZSPNIEDSA-N 2 1 283.416 0.718 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213678500 803699585 /nfs/dbraw/zinc/69/95/85/803699585.db2.gz ZIHPTHAMZQCAIB-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213678500 803699589 /nfs/dbraw/zinc/69/95/89/803699589.db2.gz ZIHPTHAMZQCAIB-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213678500 803699591 /nfs/dbraw/zinc/69/95/91/803699591.db2.gz ZIHPTHAMZQCAIB-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C[NH2+]CCC[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000402215452 803817921 /nfs/dbraw/zinc/81/79/21/803817921.db2.gz LKLMZRBKEOMVEW-CQSZACIVSA-N 2 1 277.368 0.839 20 30 CCEDMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000402215452 803817929 /nfs/dbraw/zinc/81/79/29/803817929.db2.gz LKLMZRBKEOMVEW-CQSZACIVSA-N 2 1 277.368 0.839 20 30 CCEDMP N#C[C@@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001219557935 804346873 /nfs/dbraw/zinc/34/68/73/804346873.db2.gz GEPOBGVGQOTNKU-CQSZACIVSA-N 2 1 272.352 0.709 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001272172983 815037170 /nfs/dbraw/zinc/03/71/70/815037170.db2.gz UOAUPGIPPSRWGH-HNNXBMFYSA-N 2 1 295.427 0.368 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224245866 805018229 /nfs/dbraw/zinc/01/82/29/805018229.db2.gz IJGJIIOQACSYOC-CABCVRRESA-N 2 1 277.412 0.883 20 30 CCEDMP C=CCC[C@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246024151 807122537 /nfs/dbraw/zinc/12/25/37/807122537.db2.gz OXHYIHYPTXJHOJ-IHRRRGAJSA-N 2 1 253.390 0.339 20 30 CCEDMP C=CCOC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001252483297 807888148 /nfs/dbraw/zinc/88/81/48/807888148.db2.gz SEIJKBAZKUVVOK-UONOGXRCSA-N 2 1 256.390 0.871 20 30 CCEDMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CC[C@H](C#N)C1 ZINC001254639003 808269005 /nfs/dbraw/zinc/26/90/05/808269005.db2.gz RZZQHULAGWYRFQ-DCAQKATOSA-N 2 1 281.360 0.073 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278805172 808275302 /nfs/dbraw/zinc/27/53/02/808275302.db2.gz JRVBZNHAOLQWAU-GDBMZVCRSA-N 2 1 295.427 0.149 20 30 CCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001278873500 808410895 /nfs/dbraw/zinc/41/08/95/808410895.db2.gz JFDPGRZLBSVZRQ-UONOGXRCSA-N 2 1 285.432 0.510 20 30 CCEDMP C=CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001278882652 808425362 /nfs/dbraw/zinc/42/53/62/808425362.db2.gz LDFIUVQNQIBQEU-HUUCEWRRSA-N 2 1 297.443 0.655 20 30 CCEDMP C=CCCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278882652 808425364 /nfs/dbraw/zinc/42/53/64/808425364.db2.gz LDFIUVQNQIBQEU-HUUCEWRRSA-N 2 1 297.443 0.655 20 30 CCEDMP C=CCCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001278882652 808425370 /nfs/dbraw/zinc/42/53/70/808425370.db2.gz LDFIUVQNQIBQEU-HUUCEWRRSA-N 2 1 297.443 0.655 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001263995748 809619754 /nfs/dbraw/zinc/61/97/54/809619754.db2.gz KLMNEHYBXINOBJ-RWMBFGLXSA-N 2 1 251.374 0.561 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001264164447 809636574 /nfs/dbraw/zinc/63/65/74/809636574.db2.gz GSNTYRSTDHZROK-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001264164447 809636581 /nfs/dbraw/zinc/63/65/81/809636581.db2.gz GSNTYRSTDHZROK-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001265378405 809768049 /nfs/dbraw/zinc/76/80/49/809768049.db2.gz LBQDMNDHXJXXFL-DZGCQCFKSA-N 2 1 277.412 0.836 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001265774164 809849775 /nfs/dbraw/zinc/84/97/75/809849775.db2.gz AWWJPNRHZLTQDH-BFHYXJOUSA-N 2 1 281.400 0.071 20 30 CCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001265785745 809853023 /nfs/dbraw/zinc/85/30/23/809853023.db2.gz GWPCVZWIOTUADW-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001267283009 811092216 /nfs/dbraw/zinc/09/22/16/811092216.db2.gz ZMECUHWMCRIBIU-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001038269867 811120251 /nfs/dbraw/zinc/12/02/51/811120251.db2.gz SNEOVKKGPHTFOT-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001038269867 811120257 /nfs/dbraw/zinc/12/02/57/811120257.db2.gz SNEOVKKGPHTFOT-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001038269867 811120259 /nfs/dbraw/zinc/12/02/59/811120259.db2.gz SNEOVKKGPHTFOT-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[NH2+]CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001267441165 811306234 /nfs/dbraw/zinc/30/62/34/811306234.db2.gz MBXBHMPPGSNTGW-UHFFFAOYSA-N 2 1 269.389 0.333 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001267701456 811664116 /nfs/dbraw/zinc/66/41/16/811664116.db2.gz TWRPULUVFYYOOD-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[NH2+][C@H](CC)CNC(=O)CC[NH+]1CCOCC1 ZINC001267822896 811818604 /nfs/dbraw/zinc/81/86/04/811818604.db2.gz XGBDWILJNGTDHQ-CQSZACIVSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267956337 811892951 /nfs/dbraw/zinc/89/29/51/811892951.db2.gz CVUWUZWNSGTMEG-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267956337 811892965 /nfs/dbraw/zinc/89/29/65/811892965.db2.gz CVUWUZWNSGTMEG-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267956337 811892971 /nfs/dbraw/zinc/89/29/71/811892971.db2.gz CVUWUZWNSGTMEG-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267982320 811921843 /nfs/dbraw/zinc/92/18/43/811921843.db2.gz CVFTWUYATUMQLJ-ZIAGYGMSSA-N 2 1 283.416 0.625 20 30 CCEDMP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267982320 811921848 /nfs/dbraw/zinc/92/18/48/811921848.db2.gz CVFTWUYATUMQLJ-ZIAGYGMSSA-N 2 1 283.416 0.625 20 30 CCEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001268150894 812307591 /nfs/dbraw/zinc/30/75/91/812307591.db2.gz NTOPGJGGXMHUPS-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001268150894 812307594 /nfs/dbraw/zinc/30/75/94/812307594.db2.gz NTOPGJGGXMHUPS-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001268150894 812307604 /nfs/dbraw/zinc/30/76/04/812307604.db2.gz NTOPGJGGXMHUPS-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001268278541 812440770 /nfs/dbraw/zinc/44/07/70/812440770.db2.gz GBFFZKIOYXADAH-UONOGXRCSA-N 2 1 274.368 0.699 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001028447194 812710594 /nfs/dbraw/zinc/71/05/94/812710594.db2.gz NMJWBQMLHHZPKS-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447194 812710602 /nfs/dbraw/zinc/71/06/02/812710602.db2.gz NMJWBQMLHHZPKS-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447194 812710608 /nfs/dbraw/zinc/71/06/08/812710608.db2.gz NMJWBQMLHHZPKS-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001268690978 813013109 /nfs/dbraw/zinc/01/31/09/813013109.db2.gz XFUDNASOHYJFKL-JSGCOSHPSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001268690978 813013116 /nfs/dbraw/zinc/01/31/16/813013116.db2.gz XFUDNASOHYJFKL-JSGCOSHPSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001028636844 813074990 /nfs/dbraw/zinc/07/49/90/813074990.db2.gz ROULNWRYDGAQIG-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028636844 813075000 /nfs/dbraw/zinc/07/50/00/813075000.db2.gz ROULNWRYDGAQIG-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028636844 813075006 /nfs/dbraw/zinc/07/50/06/813075006.db2.gz ROULNWRYDGAQIG-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCOCC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001268879795 813130276 /nfs/dbraw/zinc/13/02/76/813130276.db2.gz WFILRVRCKPTDSG-CQSZACIVSA-N 2 1 295.427 0.579 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CCC)C1CC1 ZINC001269140998 813236774 /nfs/dbraw/zinc/23/67/74/813236774.db2.gz VNQDDXVHMNQRBG-CYBMUJFWSA-N 2 1 251.374 0.446 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001269193170 813256854 /nfs/dbraw/zinc/25/68/54/813256854.db2.gz CRSROGKIWCGOHZ-CQSZACIVSA-N 2 1 292.383 0.585 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001269193170 813256857 /nfs/dbraw/zinc/25/68/57/813256857.db2.gz CRSROGKIWCGOHZ-CQSZACIVSA-N 2 1 292.383 0.585 20 30 CCEDMP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001269383117 813350476 /nfs/dbraw/zinc/35/04/76/813350476.db2.gz GPODYSBMRPPDDQ-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001269383117 813350481 /nfs/dbraw/zinc/35/04/81/813350481.db2.gz GPODYSBMRPPDDQ-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC=C ZINC001270222273 813684725 /nfs/dbraw/zinc/68/47/25/813684725.db2.gz VLYWQZURDBNHFJ-CABCVRRESA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC=C ZINC001270222273 813684727 /nfs/dbraw/zinc/68/47/27/813684727.db2.gz VLYWQZURDBNHFJ-CABCVRRESA-N 2 1 275.396 0.851 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028985352 813724980 /nfs/dbraw/zinc/72/49/80/813724980.db2.gz KKQJPELMQZQSCW-KBPBESRZSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028985352 813724984 /nfs/dbraw/zinc/72/49/84/813724984.db2.gz KKQJPELMQZQSCW-KBPBESRZSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028985352 813724988 /nfs/dbraw/zinc/72/49/88/813724988.db2.gz KKQJPELMQZQSCW-KBPBESRZSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001029002909 813744560 /nfs/dbraw/zinc/74/45/60/813744560.db2.gz DKTRPTFLHPMOHX-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001029002909 813744567 /nfs/dbraw/zinc/74/45/67/813744567.db2.gz DKTRPTFLHPMOHX-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001029002909 813744572 /nfs/dbraw/zinc/74/45/72/813744572.db2.gz DKTRPTFLHPMOHX-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001088286712 814574958 /nfs/dbraw/zinc/57/49/58/814574958.db2.gz HLOAXWZXNWEGML-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001088286712 814574962 /nfs/dbraw/zinc/57/49/62/814574962.db2.gz HLOAXWZXNWEGML-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001271860145 814614139 /nfs/dbraw/zinc/61/41/39/814614139.db2.gz GKBLWSPWPBPRAW-KBPBESRZSA-N 2 1 265.401 0.834 20 30 CCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271988539 814665530 /nfs/dbraw/zinc/66/55/30/814665530.db2.gz UYMKAWLLUCNYBD-HOCLYGCPSA-N 2 1 295.427 0.293 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271988539 814665534 /nfs/dbraw/zinc/66/55/34/814665534.db2.gz UYMKAWLLUCNYBD-HOCLYGCPSA-N 2 1 295.427 0.293 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127262648 816535118 /nfs/dbraw/zinc/53/51/18/816535118.db2.gz PGBAUFBCJKFUHQ-KBPBESRZSA-N 2 1 263.385 0.590 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001031084540 816633714 /nfs/dbraw/zinc/63/37/14/816633714.db2.gz BRWGACCUFAYEEI-UHFFFAOYSA-N 2 1 291.399 0.435 20 30 CCEDMP N#Cc1cccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1F ZINC001234995346 816791254 /nfs/dbraw/zinc/79/12/54/816791254.db2.gz WBVYWUHCEHTWPE-OAHLLOKOSA-N 2 1 274.343 0.835 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCF)C1 ZINC001031740470 817304149 /nfs/dbraw/zinc/30/41/49/817304149.db2.gz CSAQMRRLXRJORB-AWEZNQCLSA-N 2 1 281.375 0.492 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCF)C1 ZINC001031740470 817304155 /nfs/dbraw/zinc/30/41/55/817304155.db2.gz CSAQMRRLXRJORB-AWEZNQCLSA-N 2 1 281.375 0.492 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001031741242 817305198 /nfs/dbraw/zinc/30/51/98/817305198.db2.gz ULVFECYHNKPMLT-HNNXBMFYSA-N 2 1 273.380 0.155 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001031741242 817305205 /nfs/dbraw/zinc/30/52/05/817305205.db2.gz ULVFECYHNKPMLT-HNNXBMFYSA-N 2 1 273.380 0.155 20 30 CCEDMP C=CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031978438 817515886 /nfs/dbraw/zinc/51/58/86/817515886.db2.gz SSNKPNGEJVRMKV-YPMHNXCESA-N 2 1 251.374 0.418 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186209 817683907 /nfs/dbraw/zinc/68/39/07/817683907.db2.gz LAOWEWRORYOPMC-ZDUSSCGKSA-N 2 1 251.374 0.562 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033185753 818634186 /nfs/dbraw/zinc/63/41/86/818634186.db2.gz PSLDEWNVFPWBRK-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033185753 818634190 /nfs/dbraw/zinc/63/41/90/818634190.db2.gz PSLDEWNVFPWBRK-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033185753 818634192 /nfs/dbraw/zinc/63/41/92/818634192.db2.gz PSLDEWNVFPWBRK-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033185753 818634195 /nfs/dbraw/zinc/63/41/95/818634195.db2.gz PSLDEWNVFPWBRK-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594868 818843695 /nfs/dbraw/zinc/84/36/95/818843695.db2.gz RXPARYJTEXGMCG-ZDUSSCGKSA-N 2 1 261.369 0.248 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594868 818843700 /nfs/dbraw/zinc/84/37/00/818843700.db2.gz RXPARYJTEXGMCG-ZDUSSCGKSA-N 2 1 261.369 0.248 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001034798694 819333287 /nfs/dbraw/zinc/33/32/87/819333287.db2.gz LVWQDPCBTTWELM-KKUMJFAQSA-N 2 1 293.411 0.357 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001034798694 819333297 /nfs/dbraw/zinc/33/32/97/819333297.db2.gz LVWQDPCBTTWELM-KKUMJFAQSA-N 2 1 293.411 0.357 20 30 CCEDMP C#CCN1CC[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273144425 819896460 /nfs/dbraw/zinc/89/64/60/819896460.db2.gz PUVLHYTTYJVXGV-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCN1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144425 819896475 /nfs/dbraw/zinc/89/64/75/819896475.db2.gz PUVLHYTTYJVXGV-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCN1CC[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144425 819896485 /nfs/dbraw/zinc/89/64/85/819896485.db2.gz PUVLHYTTYJVXGV-NVXWUHKLSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165454 819961247 /nfs/dbraw/zinc/96/12/47/819961247.db2.gz GKYRYDIQHZJXTN-MRXNPFEDSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165454 819961259 /nfs/dbraw/zinc/96/12/59/819961259.db2.gz GKYRYDIQHZJXTN-MRXNPFEDSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951518 820490939 /nfs/dbraw/zinc/49/09/39/820490939.db2.gz RBYZFKSQOTUJLX-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951518 820490943 /nfs/dbraw/zinc/49/09/43/820490943.db2.gz RBYZFKSQOTUJLX-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079951518 820490947 /nfs/dbraw/zinc/49/09/47/820490947.db2.gz RBYZFKSQOTUJLX-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079951518 820490953 /nfs/dbraw/zinc/49/09/53/820490953.db2.gz RBYZFKSQOTUJLX-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080193036 820526122 /nfs/dbraw/zinc/52/61/22/820526122.db2.gz YSZIDHBLHXPPGW-FVQBIDKESA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080193036 820526126 /nfs/dbraw/zinc/52/61/26/820526126.db2.gz YSZIDHBLHXPPGW-FVQBIDKESA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786499 820639417 /nfs/dbraw/zinc/63/94/17/820639417.db2.gz NFSJSSFFWYUGSK-ZIAGYGMSSA-N 2 1 275.396 0.542 20 30 CCEDMP C=C(C)CN1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133396 820904656 /nfs/dbraw/zinc/90/46/56/820904656.db2.gz ACMSPCSOILWFOY-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133396 820904662 /nfs/dbraw/zinc/90/46/62/820904662.db2.gz ACMSPCSOILWFOY-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133396 820904671 /nfs/dbraw/zinc/90/46/71/820904671.db2.gz ACMSPCSOILWFOY-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133396 820904685 /nfs/dbraw/zinc/90/46/85/820904685.db2.gz ACMSPCSOILWFOY-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082132814 820905843 /nfs/dbraw/zinc/90/58/43/820905843.db2.gz SLYPSERGRYRBAO-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]C(C)C)C1 ZINC001082568674 820999171 /nfs/dbraw/zinc/99/91/71/820999171.db2.gz LPJOKZDZEDUMSU-KFWWJZLASA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]C(C)C)C1 ZINC001082568674 820999176 /nfs/dbraw/zinc/99/91/76/820999176.db2.gz LPJOKZDZEDUMSU-KFWWJZLASA-N 2 1 277.412 0.929 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083120032 821137066 /nfs/dbraw/zinc/13/70/66/821137066.db2.gz WFTXQXVWYNMESE-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C#CCN1CC[C@@H]2CN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 ZINC001084686689 821351538 /nfs/dbraw/zinc/35/15/38/821351538.db2.gz QFLIGGHALGMANK-DGCLKSJQSA-N 2 1 258.325 0.118 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084737961 821368996 /nfs/dbraw/zinc/36/89/96/821368996.db2.gz JMIXSCGFTOUNOI-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084737961 821369006 /nfs/dbraw/zinc/36/90/06/821369006.db2.gz JMIXSCGFTOUNOI-HZPDHXFCSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001085674446 821890807 /nfs/dbraw/zinc/89/08/07/821890807.db2.gz WHBIWGVHESQZMX-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085972645 822046924 /nfs/dbraw/zinc/04/69/24/822046924.db2.gz FIIBEEPHHWQWMK-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085972645 822046936 /nfs/dbraw/zinc/04/69/36/822046936.db2.gz FIIBEEPHHWQWMK-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085972645 822046944 /nfs/dbraw/zinc/04/69/44/822046944.db2.gz FIIBEEPHHWQWMK-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085972645 822046949 /nfs/dbraw/zinc/04/69/49/822046949.db2.gz FIIBEEPHHWQWMK-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085972645 822046957 /nfs/dbraw/zinc/04/69/57/822046957.db2.gz FIIBEEPHHWQWMK-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086084676 822107389 /nfs/dbraw/zinc/10/73/89/822107389.db2.gz AXMVIOLUIJOUJW-QLFBSQMISA-N 2 1 277.412 0.977 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100063859 822208138 /nfs/dbraw/zinc/20/81/38/822208138.db2.gz DYWTWVAHRFMLFL-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100063859 822208145 /nfs/dbraw/zinc/20/81/45/822208145.db2.gz DYWTWVAHRFMLFL-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100063859 822208152 /nfs/dbraw/zinc/20/81/52/822208152.db2.gz DYWTWVAHRFMLFL-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001086326998 822208937 /nfs/dbraw/zinc/20/89/37/822208937.db2.gz LCFOTCVWYIDDLZ-AVGNSLFASA-N 2 1 251.374 0.751 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(C)C ZINC001129790894 837557072 /nfs/dbraw/zinc/55/70/72/837557072.db2.gz MSBQLWJHJTXDNQ-ZDUSSCGKSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(C)C ZINC001129790894 837557079 /nfs/dbraw/zinc/55/70/79/837557079.db2.gz MSBQLWJHJTXDNQ-ZDUSSCGKSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC(=C)C ZINC001129770286 837559501 /nfs/dbraw/zinc/55/95/01/837559501.db2.gz DLJUQCQNBUVXAG-AWEZNQCLSA-N 2 1 263.385 0.756 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC(=C)C ZINC001129770286 837559508 /nfs/dbraw/zinc/55/95/08/837559508.db2.gz DLJUQCQNBUVXAG-AWEZNQCLSA-N 2 1 263.385 0.756 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086556556 836900314 /nfs/dbraw/zinc/90/03/14/836900314.db2.gz BCTXXSAJMSSUFW-MGPQQGTHSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086556556 836900318 /nfs/dbraw/zinc/90/03/18/836900318.db2.gz BCTXXSAJMSSUFW-MGPQQGTHSA-N 2 1 281.400 0.378 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681437 838172895 /nfs/dbraw/zinc/17/28/95/838172895.db2.gz BPTLJQXLKSCWHK-GDBMZVCRSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001133004903 838531623 /nfs/dbraw/zinc/53/16/23/838531623.db2.gz OLMGIVSNSOQLJY-CYBMUJFWSA-N 2 1 274.368 0.483 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133313255 838597537 /nfs/dbraw/zinc/59/75/37/838597537.db2.gz BYXFMUJQTHFNBS-ZFWWWQNUSA-N 2 1 288.395 0.899 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352811 839223998 /nfs/dbraw/zinc/22/39/98/839223998.db2.gz UCIYLCYDDBWFGI-CQSZACIVSA-N 2 1 283.416 0.769 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899699 840957778 /nfs/dbraw/zinc/95/77/78/840957778.db2.gz XBSGJYPCMNNMDZ-UONOGXRCSA-N 2 1 295.427 0.291 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899699 840957782 /nfs/dbraw/zinc/95/77/82/840957782.db2.gz XBSGJYPCMNNMDZ-UONOGXRCSA-N 2 1 295.427 0.291 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899699 840957789 /nfs/dbraw/zinc/95/77/89/840957789.db2.gz XBSGJYPCMNNMDZ-UONOGXRCSA-N 2 1 295.427 0.291 20 30 CCEDMP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001273458610 841113373 /nfs/dbraw/zinc/11/33/73/841113373.db2.gz QJHCWGZACZOFQB-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176992430 842480515 /nfs/dbraw/zinc/48/05/15/842480515.db2.gz OZHVZUFGWOMNLR-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001179150766 842967520 /nfs/dbraw/zinc/96/75/20/842967520.db2.gz ZNWLFHGMIYKMQC-KBPBESRZSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001273467529 843303056 /nfs/dbraw/zinc/30/30/56/843303056.db2.gz UKURJUITXWOUGE-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181008850 843372202 /nfs/dbraw/zinc/37/22/02/843372202.db2.gz LTTDTSKSQJAIMA-IJEWVQPXSA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181008850 843372215 /nfs/dbraw/zinc/37/22/15/843372215.db2.gz LTTDTSKSQJAIMA-IJEWVQPXSA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCOC)C1 ZINC001183354064 844004828 /nfs/dbraw/zinc/00/48/28/844004828.db2.gz OAMDGSVOFKHNFM-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCOC)C1 ZINC001183354064 844004836 /nfs/dbraw/zinc/00/48/36/844004836.db2.gz OAMDGSVOFKHNFM-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107734 844832296 /nfs/dbraw/zinc/83/22/96/844832296.db2.gz XLAXQLWHSXTNMG-RRFJBIMHSA-N 2 1 295.402 0.832 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107734 844832301 /nfs/dbraw/zinc/83/23/01/844832301.db2.gz XLAXQLWHSXTNMG-RRFJBIMHSA-N 2 1 295.402 0.832 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221874 845356928 /nfs/dbraw/zinc/35/69/28/845356928.db2.gz RIWRNHCXXJEPBI-HOTGVXAUSA-N 2 1 289.423 0.884 20 30 CCEDMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001190900807 845524817 /nfs/dbraw/zinc/52/48/17/845524817.db2.gz SGYHUDBMSVTKFS-LSDHHAIUSA-N 2 1 295.427 0.509 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192353227 845826657 /nfs/dbraw/zinc/82/66/57/845826657.db2.gz BRKGBISQBQCHEO-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001192353227 845826661 /nfs/dbraw/zinc/82/66/61/845826661.db2.gz BRKGBISQBQCHEO-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001192353227 845826663 /nfs/dbraw/zinc/82/66/63/845826663.db2.gz BRKGBISQBQCHEO-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193462803 846082517 /nfs/dbraw/zinc/08/25/17/846082517.db2.gz PZSCIZWQALCBHL-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462803 846082498 /nfs/dbraw/zinc/08/24/98/846082498.db2.gz PZSCIZWQALCBHL-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193462803 846082509 /nfs/dbraw/zinc/08/25/09/846082509.db2.gz PZSCIZWQALCBHL-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193643330 846135582 /nfs/dbraw/zinc/13/55/82/846135582.db2.gz SNQQDLNZYGOUTJ-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193643330 846135587 /nfs/dbraw/zinc/13/55/87/846135587.db2.gz SNQQDLNZYGOUTJ-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193643330 846135591 /nfs/dbraw/zinc/13/55/91/846135591.db2.gz SNQQDLNZYGOUTJ-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194155593 846223676 /nfs/dbraw/zinc/22/36/76/846223676.db2.gz VXMRUSFKOJSBOK-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001194155593 846223690 /nfs/dbraw/zinc/22/36/90/846223690.db2.gz VXMRUSFKOJSBOK-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194155593 846223701 /nfs/dbraw/zinc/22/37/01/846223701.db2.gz VXMRUSFKOJSBOK-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194155593 846223712 /nfs/dbraw/zinc/22/37/12/846223712.db2.gz VXMRUSFKOJSBOK-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001203798400 846337771 /nfs/dbraw/zinc/33/77/71/846337771.db2.gz TYKCRJTXBWEUKE-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203798400 846337778 /nfs/dbraw/zinc/33/77/78/846337778.db2.gz TYKCRJTXBWEUKE-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCN1CCCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001196350074 846727843 /nfs/dbraw/zinc/72/78/43/846727843.db2.gz SFFMWUNFJSFGHI-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001196350074 846727854 /nfs/dbraw/zinc/72/78/54/846727854.db2.gz SFFMWUNFJSFGHI-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001196350074 846727862 /nfs/dbraw/zinc/72/78/62/846727862.db2.gz SFFMWUNFJSFGHI-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001196350074 846727869 /nfs/dbraw/zinc/72/78/69/846727869.db2.gz SFFMWUNFJSFGHI-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP COCC#CC[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970614 846822423 /nfs/dbraw/zinc/82/24/23/846822423.db2.gz NSWHYVCVFLXLCE-UHFFFAOYSA-N 2 1 295.427 0.512 20 30 CCEDMP COCC#CC[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970614 846822433 /nfs/dbraw/zinc/82/24/33/846822433.db2.gz NSWHYVCVFLXLCE-UHFFFAOYSA-N 2 1 295.427 0.512 20 30 CCEDMP C=CCOCC[N@H+]1CCCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001197269852 846889097 /nfs/dbraw/zinc/88/90/97/846889097.db2.gz SRDXKRPMLSQMPY-UHFFFAOYSA-N 2 1 292.383 0.689 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001202504660 848003230 /nfs/dbraw/zinc/00/32/30/848003230.db2.gz VHDFPFXBXKCFJW-ZFWWWQNUSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)CC ZINC001114488804 848084729 /nfs/dbraw/zinc/08/47/29/848084729.db2.gz UADPGNDKEWDWRG-ITGUQSILSA-N 2 1 265.401 0.949 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114488804 848084734 /nfs/dbraw/zinc/08/47/34/848084734.db2.gz UADPGNDKEWDWRG-ITGUQSILSA-N 2 1 265.401 0.949 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114488804 848084737 /nfs/dbraw/zinc/08/47/37/848084737.db2.gz UADPGNDKEWDWRG-ITGUQSILSA-N 2 1 265.401 0.949 20 30 CCEDMP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001274014492 848302055 /nfs/dbraw/zinc/30/20/55/848302055.db2.gz XHOYETAFJRKGIC-CQSZACIVSA-N 2 1 295.427 0.769 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038921108 850083316 /nfs/dbraw/zinc/08/33/16/850083316.db2.gz QDQRDTAZHMAVQX-ZDUSSCGKSA-N 2 1 263.385 0.849 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001044684869 851144123 /nfs/dbraw/zinc/14/41/23/851144123.db2.gz LSJJRBYPLATZSM-OCCSQVGLSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049174713 852186057 /nfs/dbraw/zinc/18/60/57/852186057.db2.gz XWNSXNOIEOBXHY-GASCZTMLSA-N 2 1 287.407 0.496 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)Cn3ccnc3C)C[C@H]2C1 ZINC001049215451 852195671 /nfs/dbraw/zinc/19/56/71/852195671.db2.gz FHVJSTDOOGXNKX-GASCZTMLSA-N 2 1 286.379 0.605 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001049215451 852195674 /nfs/dbraw/zinc/19/56/74/852195674.db2.gz FHVJSTDOOGXNKX-GASCZTMLSA-N 2 1 286.379 0.605 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001049215451 852195678 /nfs/dbraw/zinc/19/56/78/852195678.db2.gz FHVJSTDOOGXNKX-GASCZTMLSA-N 2 1 286.379 0.605 20 30 CCEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C)CCO1)C2 ZINC001096912369 852463765 /nfs/dbraw/zinc/46/37/65/852463765.db2.gz IGHNNCABWUDIDM-KBXIAJHMSA-N 2 1 293.411 0.615 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001050096597 853312680 /nfs/dbraw/zinc/31/26/80/853312680.db2.gz RCIVCWUDJYCRFI-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001050096597 853312684 /nfs/dbraw/zinc/31/26/84/853312684.db2.gz RCIVCWUDJYCRFI-LSDHHAIUSA-N 2 1 286.379 0.748 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073856994 854655765 /nfs/dbraw/zinc/65/57/65/854655765.db2.gz WLSDXGJIDUBRHN-AWEZNQCLSA-N 2 1 293.411 0.475 20 30 CCEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001098404539 854863289 /nfs/dbraw/zinc/86/32/89/854863289.db2.gz OXSMYCNESQMRSQ-OAHLLOKOSA-N 2 1 297.443 0.798 20 30 CCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001098407481 854866013 /nfs/dbraw/zinc/86/60/13/854866013.db2.gz JIEHXJMIWMZOSA-KFWWJZLASA-N 2 1 286.379 0.936 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001098407481 854866025 /nfs/dbraw/zinc/86/60/25/854866025.db2.gz JIEHXJMIWMZOSA-KFWWJZLASA-N 2 1 286.379 0.936 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001099159930 854918341 /nfs/dbraw/zinc/91/83/41/854918341.db2.gz MIRSDGJUGNRFRI-DZKIICNBSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001099159930 854918342 /nfs/dbraw/zinc/91/83/42/854918342.db2.gz MIRSDGJUGNRFRI-DZKIICNBSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001099159930 854918343 /nfs/dbraw/zinc/91/83/43/854918343.db2.gz MIRSDGJUGNRFRI-DZKIICNBSA-N 2 1 275.396 0.542 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986080 855061802 /nfs/dbraw/zinc/06/18/02/855061802.db2.gz HUFGHTGBSZRANY-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100084829 855096118 /nfs/dbraw/zinc/09/61/18/855096118.db2.gz BPOPRNRGZSDFPW-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100084829 855096120 /nfs/dbraw/zinc/09/61/20/855096120.db2.gz BPOPRNRGZSDFPW-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100084829 855096122 /nfs/dbraw/zinc/09/61/22/855096122.db2.gz BPOPRNRGZSDFPW-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001100678334 855207695 /nfs/dbraw/zinc/20/76/95/855207695.db2.gz HNBPQAVNQOMQAY-HSBZDZAISA-N 2 1 265.401 0.999 20 30 CCEDMP C=C(C)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758846 855219480 /nfs/dbraw/zinc/21/94/80/855219480.db2.gz RHECBWMGTHRMHI-UHFFFAOYSA-N 2 1 295.427 0.769 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466925 855436484 /nfs/dbraw/zinc/43/64/84/855436484.db2.gz ZBQKGCQNNZZYQJ-HUUCEWRRSA-N 2 1 295.427 0.579 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466925 855436487 /nfs/dbraw/zinc/43/64/87/855436487.db2.gz ZBQKGCQNNZZYQJ-HUUCEWRRSA-N 2 1 295.427 0.579 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001323354384 912291223 /nfs/dbraw/zinc/29/12/23/912291223.db2.gz ADTAQICRKOHCAB-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001323354384 912291239 /nfs/dbraw/zinc/29/12/39/912291239.db2.gz ADTAQICRKOHCAB-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001323354384 912291259 /nfs/dbraw/zinc/29/12/59/912291259.db2.gz ADTAQICRKOHCAB-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001323354384 912291276 /nfs/dbraw/zinc/29/12/76/912291276.db2.gz ADTAQICRKOHCAB-ZDUSSCGKSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001324851926 913065355 /nfs/dbraw/zinc/06/53/55/913065355.db2.gz FPQCKGCJMBGPBJ-CQSZACIVSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001324851926 913065373 /nfs/dbraw/zinc/06/53/73/913065373.db2.gz FPQCKGCJMBGPBJ-CQSZACIVSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001325110579 913219411 /nfs/dbraw/zinc/21/94/11/913219411.db2.gz NHMUZUZPLBNIGQ-OAHLLOKOSA-N 2 1 292.383 0.321 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001325110579 913219429 /nfs/dbraw/zinc/21/94/29/913219429.db2.gz NHMUZUZPLBNIGQ-OAHLLOKOSA-N 2 1 292.383 0.321 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001394633822 913328556 /nfs/dbraw/zinc/32/85/56/913328556.db2.gz KGNUTLOATPCCHY-PWSUYJOCSA-N 2 1 289.807 0.147 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001394633822 913328573 /nfs/dbraw/zinc/32/85/73/913328573.db2.gz KGNUTLOATPCCHY-PWSUYJOCSA-N 2 1 289.807 0.147 20 30 CCEDMP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001283832349 892457760 /nfs/dbraw/zinc/45/77/60/892457760.db2.gz UHCAQWRHHICVLH-HUUCEWRRSA-N 2 1 291.395 0.542 20 30 CCEDMP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001481813000 893177651 /nfs/dbraw/zinc/17/76/51/893177651.db2.gz BSTWUYZFHNWXIF-FRRDWIJNSA-N 2 1 253.390 0.997 20 30 CCEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001481883913 893238878 /nfs/dbraw/zinc/23/88/78/893238878.db2.gz VVGCXXHINGAQJC-ZIAGYGMSSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001481883913 893238894 /nfs/dbraw/zinc/23/88/94/893238894.db2.gz VVGCXXHINGAQJC-ZIAGYGMSSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001482597241 894370788 /nfs/dbraw/zinc/37/07/88/894370788.db2.gz UGUQBJQWTQBGKR-UONOGXRCSA-N 2 1 265.401 0.740 20 30 CCEDMP C#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001482597241 894370810 /nfs/dbraw/zinc/37/08/10/894370810.db2.gz UGUQBJQWTQBGKR-UONOGXRCSA-N 2 1 265.401 0.740 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001482597241 894370830 /nfs/dbraw/zinc/37/08/30/894370830.db2.gz UGUQBJQWTQBGKR-UONOGXRCSA-N 2 1 265.401 0.740 20 30 CCEDMP C#CC[NH2+]CCN(CC)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482950496 894727039 /nfs/dbraw/zinc/72/70/39/894727039.db2.gz UFRZJBDLUAMJIR-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483050849 894851418 /nfs/dbraw/zinc/85/14/18/894851418.db2.gz MATQRLZQEBEMOI-BEVHLOIGSA-N 2 1 263.385 0.612 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001484248644 896286223 /nfs/dbraw/zinc/28/62/23/896286223.db2.gz OOTGUPRKTDNKGY-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001484248644 896286236 /nfs/dbraw/zinc/28/62/36/896286236.db2.gz OOTGUPRKTDNKGY-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001484248644 896286249 /nfs/dbraw/zinc/28/62/49/896286249.db2.gz OOTGUPRKTDNKGY-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484550192 896466958 /nfs/dbraw/zinc/46/69/58/896466958.db2.gz QYDFYPPTNLSETQ-ZIAGYGMSSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001484725744 896560885 /nfs/dbraw/zinc/56/08/85/896560885.db2.gz IGHBUGKYWIYHIB-HNNXBMFYSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001484725744 896560899 /nfs/dbraw/zinc/56/08/99/896560899.db2.gz IGHBUGKYWIYHIB-HNNXBMFYSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001485505900 897097095 /nfs/dbraw/zinc/09/70/95/897097095.db2.gz IYGAEOJNDMMTNF-JSGCOSHPSA-N 2 1 283.391 0.736 20 30 CCEDMP C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485772510 897238419 /nfs/dbraw/zinc/23/84/19/897238419.db2.gz LMJDSMUKEXEZDY-HNNXBMFYSA-N 2 1 293.411 0.026 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077779635 897488467 /nfs/dbraw/zinc/48/84/67/897488467.db2.gz ZJMIHMFLQJZGEO-HUUCEWRRSA-N 2 1 295.427 0.456 20 30 CCEDMP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001032479067 897627752 /nfs/dbraw/zinc/62/77/52/897627752.db2.gz CQIFVXSAKVYYAR-SOUVJXGZSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001032479067 897627772 /nfs/dbraw/zinc/62/77/72/897627772.db2.gz CQIFVXSAKVYYAR-SOUVJXGZSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C ZINC001032479067 897627778 /nfs/dbraw/zinc/62/77/78/897627778.db2.gz CQIFVXSAKVYYAR-SOUVJXGZSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C ZINC001032479067 897627787 /nfs/dbraw/zinc/62/77/87/897627787.db2.gz CQIFVXSAKVYYAR-SOUVJXGZSA-N 2 1 275.396 0.779 20 30 CCEDMP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001486126889 898688237 /nfs/dbraw/zinc/68/82/37/898688237.db2.gz DWWJZXDIMSBAOT-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486316547 898777653 /nfs/dbraw/zinc/77/76/53/898777653.db2.gz DCXWTZYJDIAADI-NWDGAFQWSA-N 2 1 289.807 0.100 20 30 CCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001486358802 898816424 /nfs/dbraw/zinc/81/64/24/898816424.db2.gz KBSSJLHTTZIZCK-AWEZNQCLSA-N 2 1 294.399 0.519 20 30 CCEDMP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001486358802 898816437 /nfs/dbraw/zinc/81/64/37/898816437.db2.gz KBSSJLHTTZIZCK-AWEZNQCLSA-N 2 1 294.399 0.519 20 30 CCEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001486358802 898816447 /nfs/dbraw/zinc/81/64/47/898816447.db2.gz KBSSJLHTTZIZCK-AWEZNQCLSA-N 2 1 294.399 0.519 20 30 CCEDMP C=C(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001486344655 898819482 /nfs/dbraw/zinc/81/94/82/898819482.db2.gz KMXHDKGVHKHOTD-LSDHHAIUSA-N 2 1 297.443 0.798 20 30 CCEDMP C=C(C)CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001486344655 898819489 /nfs/dbraw/zinc/81/94/89/898819489.db2.gz KMXHDKGVHKHOTD-LSDHHAIUSA-N 2 1 297.443 0.798 20 30 CCEDMP C=C(C)CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001486344655 898819497 /nfs/dbraw/zinc/81/94/97/898819497.db2.gz KMXHDKGVHKHOTD-LSDHHAIUSA-N 2 1 297.443 0.798 20 30 CCEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001486388980 898851664 /nfs/dbraw/zinc/85/16/64/898851664.db2.gz HBYPGFLUZCDJBX-STQMWFEESA-N 2 1 265.401 0.834 20 30 CCEDMP CC#CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001486476985 898895602 /nfs/dbraw/zinc/89/56/02/898895602.db2.gz WLTIUCCPQKFSKA-WLYUNCDWSA-N 2 1 277.412 0.931 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001494709301 899572611 /nfs/dbraw/zinc/57/26/11/899572611.db2.gz DCKCCPRPNRXNBL-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001494709301 899572619 /nfs/dbraw/zinc/57/26/19/899572619.db2.gz DCKCCPRPNRXNBL-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001494709301 899572629 /nfs/dbraw/zinc/57/26/29/899572629.db2.gz DCKCCPRPNRXNBL-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001494709301 899572632 /nfs/dbraw/zinc/57/26/32/899572632.db2.gz DCKCCPRPNRXNBL-AWEZNQCLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001325126115 899903582 /nfs/dbraw/zinc/90/35/82/899903582.db2.gz LNXIWWANGNJQIU-INIZCTEOSA-N 2 1 295.427 0.151 20 30 CCEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325126115 899903589 /nfs/dbraw/zinc/90/35/89/899903589.db2.gz LNXIWWANGNJQIU-INIZCTEOSA-N 2 1 295.427 0.151 20 30 CCEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325126115 899903593 /nfs/dbraw/zinc/90/35/93/899903593.db2.gz LNXIWWANGNJQIU-INIZCTEOSA-N 2 1 295.427 0.151 20 30 CCEDMP C=CC[NH2+][C@@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001490725547 900704259 /nfs/dbraw/zinc/70/42/59/900704259.db2.gz ZBJYBUUEMNITCH-AWEZNQCLSA-N 2 1 281.400 0.379 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001490925397 903254931 /nfs/dbraw/zinc/25/49/31/903254931.db2.gz BZBVTVCCUWXINN-IHRRRGAJSA-N 2 1 263.385 0.588 20 30 CCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001282493160 904491689 /nfs/dbraw/zinc/49/16/89/904491689.db2.gz AUIUEDWISMSQLZ-HUUCEWRRSA-N 2 1 295.427 0.415 20 30 CCEDMP C=CC[N@@H+](C)CCOCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001283420745 904845601 /nfs/dbraw/zinc/84/56/01/904845601.db2.gz ASOSZJCLCLBFBS-INIZCTEOSA-N 2 1 295.427 0.723 20 30 CCEDMP C=CC[NH+](C)CCOCCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001283420745 904845609 /nfs/dbraw/zinc/84/56/09/904845609.db2.gz ASOSZJCLCLBFBS-INIZCTEOSA-N 2 1 295.427 0.723 20 30 CCEDMP C=CC[NH+](C)CCOCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001283420745 904845619 /nfs/dbraw/zinc/84/56/19/904845619.db2.gz ASOSZJCLCLBFBS-INIZCTEOSA-N 2 1 295.427 0.723 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001284276947 905230046 /nfs/dbraw/zinc/23/00/46/905230046.db2.gz QSDOFURQUDUDNG-ZIAGYGMSSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001284276947 905230065 /nfs/dbraw/zinc/23/00/65/905230065.db2.gz QSDOFURQUDUDNG-ZIAGYGMSSA-N 2 1 293.411 0.167 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001284448738 905301387 /nfs/dbraw/zinc/30/13/87/905301387.db2.gz SENLLCFNAPOWEO-GJZGRUSLSA-N 2 1 297.443 0.703 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001491809729 907611848 /nfs/dbraw/zinc/61/18/48/907611848.db2.gz ZJPXRLMLQOMTSQ-HUUCEWRRSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001492110373 907706455 /nfs/dbraw/zinc/70/64/55/907706455.db2.gz DVEPCGTUUCCUOO-OLZOCXBDSA-N 2 1 251.374 0.446 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001316993708 908909337 /nfs/dbraw/zinc/90/93/37/908909337.db2.gz CRSROGKIWCGOHZ-AWEZNQCLSA-N 2 1 292.383 0.585 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001316993708 908909348 /nfs/dbraw/zinc/90/93/48/908909348.db2.gz CRSROGKIWCGOHZ-AWEZNQCLSA-N 2 1 292.383 0.585 20 30 CCEDMP C#CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001317551577 909325057 /nfs/dbraw/zinc/32/50/57/909325057.db2.gz IJCOGZJZIWODNH-UHFFFAOYSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001317551577 909325073 /nfs/dbraw/zinc/32/50/73/909325073.db2.gz IJCOGZJZIWODNH-UHFFFAOYSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001318128804 909636623 /nfs/dbraw/zinc/63/66/23/909636623.db2.gz XCISXYBMECZLGC-UHFFFAOYSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[NH2+][C@@H](CC)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001318594680 909830565 /nfs/dbraw/zinc/83/05/65/909830565.db2.gz JOEXFZKOFQCWCT-OLZOCXBDSA-N 2 1 253.390 0.999 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001319438570 910148186 /nfs/dbraw/zinc/14/81/86/910148186.db2.gz DVGRPPGEXGVSTD-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001319438570 910148204 /nfs/dbraw/zinc/14/82/04/910148204.db2.gz DVGRPPGEXGVSTD-OLZOCXBDSA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001321011787 911014604 /nfs/dbraw/zinc/01/46/04/911014604.db2.gz FOWSUMDQISGMDD-ZRUQZJFASA-N 2 1 281.400 0.545 20 30 CCEDMP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001321011787 911014623 /nfs/dbraw/zinc/01/46/23/911014623.db2.gz FOWSUMDQISGMDD-ZRUQZJFASA-N 2 1 281.400 0.545 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001323109358 912125126 /nfs/dbraw/zinc/12/51/26/912125126.db2.gz QTBWMAGCCQIGCF-CYBMUJFWSA-N 2 1 260.341 0.309 20 30 CCEDMP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001330422517 916620716 /nfs/dbraw/zinc/62/07/16/916620716.db2.gz CSNJTIQRWYUCFI-LSDHHAIUSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001330423486 916623669 /nfs/dbraw/zinc/62/36/69/916623669.db2.gz HCOWVLFAIDOETF-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCO[C@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001332013337 917801301 /nfs/dbraw/zinc/80/13/01/917801301.db2.gz PDLHBMXLICAVQX-ZFWWWQNUSA-N 2 1 291.399 0.980 20 30 CCEDMP C=CCO[C@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001332013337 917801317 /nfs/dbraw/zinc/80/13/17/917801317.db2.gz PDLHBMXLICAVQX-ZFWWWQNUSA-N 2 1 291.399 0.980 20 30 CCEDMP C=C(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001332678653 918375576 /nfs/dbraw/zinc/37/55/76/918375576.db2.gz QYMCGDZNCUVAGN-OAHLLOKOSA-N 2 1 297.443 0.800 20 30 CCEDMP C=C(C)[C@@H](CO)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001333537293 918982102 /nfs/dbraw/zinc/98/21/02/918982102.db2.gz OSPWTKWOTKNYDI-CQSZACIVSA-N 2 1 279.388 0.353 20 30 CCEDMP C#CC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC001340107347 921961226 /nfs/dbraw/zinc/96/12/26/921961226.db2.gz XYRMMHAVXRXGGM-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001341702347 922634909 /nfs/dbraw/zinc/63/49/09/922634909.db2.gz CKRVCISRPBTHHE-UHFFFAOYSA-N 2 1 263.385 0.686 20 30 CCEDMP C#CC[NH2+]CC(=O)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC001342536239 922994273 /nfs/dbraw/zinc/99/42/73/922994273.db2.gz QFSMRHDVWJMLFF-LLVKDONJSA-N 2 1 275.327 0.513 20 30 CCEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]([NH3+])CCCC#N ZINC001348860967 924831149 /nfs/dbraw/zinc/83/11/49/924831149.db2.gz SHMKVDZWPGSGAI-UPJWGTAASA-N 2 1 266.389 0.806 20 30 CCEDMP C#CC[NH2+]CC(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001358343063 926677516 /nfs/dbraw/zinc/67/75/16/926677516.db2.gz UUCVPJYIWAMFJA-ZDUSSCGKSA-N 2 1 271.364 0.764 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC001446977309 930532753 /nfs/dbraw/zinc/53/27/53/930532753.db2.gz XSSQUJZHOJKTNQ-CYBMUJFWSA-N 2 1 297.399 0.200 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC001446977309 930532760 /nfs/dbraw/zinc/53/27/60/930532760.db2.gz XSSQUJZHOJKTNQ-CYBMUJFWSA-N 2 1 297.399 0.200 20 30 CCEDMP COCC[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600720192 362044404 /nfs/dbraw/zinc/04/44/04/362044404.db2.gz HIHJYBTZWYSKPP-CQSZACIVSA-N 2 1 281.400 0.742 20 30 CCEDMP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1C ZINC000601851279 362410077 /nfs/dbraw/zinc/41/00/77/362410077.db2.gz JUGQUQDJTRTBNO-CHWSQXEVSA-N 2 1 266.389 0.806 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccco1 ZINC000066244934 348738018 /nfs/dbraw/zinc/73/80/18/348738018.db2.gz QDFSIJQBGLUXBR-UHFFFAOYSA-N 2 1 266.345 0.406 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000570345736 358849775 /nfs/dbraw/zinc/84/97/75/358849775.db2.gz UPWUJWDZRIZUFH-KBPBESRZSA-N 2 1 270.336 0.302 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000570345736 358849781 /nfs/dbraw/zinc/84/97/81/358849781.db2.gz UPWUJWDZRIZUFH-KBPBESRZSA-N 2 1 270.336 0.302 20 30 CCEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598628203 361467351 /nfs/dbraw/zinc/46/73/51/361467351.db2.gz LMDLRUIVBSFTFP-GJZGRUSLSA-N 2 1 295.427 0.818 20 30 CCEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598628203 361467358 /nfs/dbraw/zinc/46/73/58/361467358.db2.gz LMDLRUIVBSFTFP-GJZGRUSLSA-N 2 1 295.427 0.818 20 30 CCEDMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1(C)C ZINC000598725651 361496617 /nfs/dbraw/zinc/49/66/17/361496617.db2.gz YJQPJOKDCYWJQC-CQSZACIVSA-N 2 1 296.459 0.903 20 30 CCEDMP C=CC[C@@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000184262729 388770947 /nfs/dbraw/zinc/77/09/47/388770947.db2.gz LSSVWSSIPOAHFK-AWEZNQCLSA-N 2 1 291.399 0.255 20 30 CCEDMP C=CCN(CCOC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000191117583 389006623 /nfs/dbraw/zinc/00/66/23/389006623.db2.gz RNFZPYFLFFUZGZ-AWEZNQCLSA-N 2 1 283.416 0.673 20 30 CCEDMP C=CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000337084925 389042687 /nfs/dbraw/zinc/04/26/87/389042687.db2.gz ZCNFPPHFYJXNGJ-CYBMUJFWSA-N 2 1 251.374 0.801 20 30 CCEDMP C=CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000337084925 389042691 /nfs/dbraw/zinc/04/26/91/389042691.db2.gz ZCNFPPHFYJXNGJ-CYBMUJFWSA-N 2 1 251.374 0.801 20 30 CCEDMP C[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1n1ccnc1 ZINC000156438094 389326313 /nfs/dbraw/zinc/32/63/13/389326313.db2.gz XWYKBOUALBCSIM-NEPJUHHUSA-N 2 1 261.329 0.406 20 30 CCEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1n1ccnc1 ZINC000156438094 389326315 /nfs/dbraw/zinc/32/63/15/389326315.db2.gz XWYKBOUALBCSIM-NEPJUHHUSA-N 2 1 261.329 0.406 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261577787 389272260 /nfs/dbraw/zinc/27/22/60/389272260.db2.gz OQKFHDBDURILPQ-CQSZACIVSA-N 2 1 251.374 0.858 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261577787 389272261 /nfs/dbraw/zinc/27/22/61/389272261.db2.gz OQKFHDBDURILPQ-CQSZACIVSA-N 2 1 251.374 0.858 20 30 CCEDMP C[C@H](C#N)CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000182764235 389716110 /nfs/dbraw/zinc/71/61/10/389716110.db2.gz AEZXKUPLQMOERA-CYBMUJFWSA-N 2 1 295.431 0.813 20 30 CCEDMP C[C@H](C#N)CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000182764235 389716113 /nfs/dbraw/zinc/71/61/13/389716113.db2.gz AEZXKUPLQMOERA-CYBMUJFWSA-N 2 1 295.431 0.813 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430628635 389814664 /nfs/dbraw/zinc/81/46/64/389814664.db2.gz OWFUCJDBXGMXBT-ZDUSSCGKSA-N 2 1 251.374 0.706 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435627752 389959678 /nfs/dbraw/zinc/95/96/78/389959678.db2.gz OKXGGBNUIUTULQ-LBPRGKRZSA-N 2 1 282.388 0.462 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435627752 389959680 /nfs/dbraw/zinc/95/96/80/389959680.db2.gz OKXGGBNUIUTULQ-LBPRGKRZSA-N 2 1 282.388 0.462 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345695 389987244 /nfs/dbraw/zinc/98/72/44/389987244.db2.gz WKTWWGILBLOONT-CHWSQXEVSA-N 2 1 294.399 0.320 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000491308889 390111799 /nfs/dbraw/zinc/11/17/99/390111799.db2.gz WSTUDUKWIVXNFJ-CYBMUJFWSA-N 2 1 266.389 0.335 20 30 CCEDMP CN1CC[NH+]=C1NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000284950698 263088581 /nfs/dbraw/zinc/08/85/81/263088581.db2.gz DUPOCMAWAFKABD-HNNXBMFYSA-N 2 1 288.395 0.297 20 30 CCEDMP C=CCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272967103 328202218 /nfs/dbraw/zinc/20/22/18/328202218.db2.gz QCVQXJGWRWBLLW-HNNXBMFYSA-N 2 1 288.395 0.844 20 30 CCEDMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])NC2CCCCCC2)C1 ZINC000262346491 330007259 /nfs/dbraw/zinc/00/72/59/330007259.db2.gz XZQCKDJIOSZWHT-AWEZNQCLSA-N 2 1 268.405 0.680 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262675208 330026059 /nfs/dbraw/zinc/02/60/59/330026059.db2.gz SXCRUQOASVEILJ-NEPJUHHUSA-N 2 1 254.378 0.281 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424133075 330265417 /nfs/dbraw/zinc/26/54/17/330265417.db2.gz IVWKWAYAIOQFAQ-RYUDHWBXSA-N 2 1 252.362 0.608 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC)C2)CC1 ZINC000107888924 330351575 /nfs/dbraw/zinc/35/15/75/330351575.db2.gz GZZRIDLCOPRUEB-CQSZACIVSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000491123133 332153258 /nfs/dbraw/zinc/15/32/58/332153258.db2.gz ZRCQANBODCGEOH-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000491405547 332205889 /nfs/dbraw/zinc/20/58/89/332205889.db2.gz JKHVLIZYMCYCIR-UHFFFAOYSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CCCNc1ccc(C)c[nH+]1 ZINC000491516477 332227944 /nfs/dbraw/zinc/22/79/44/332227944.db2.gz UJFSTMNUSGIBFO-UHFFFAOYSA-N 2 1 274.368 0.343 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000491617004 332243799 /nfs/dbraw/zinc/24/37/99/332243799.db2.gz AMYXOXGPDJEOSY-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000491632780 332254801 /nfs/dbraw/zinc/25/48/01/332254801.db2.gz SRGGWIMGRJDTDG-HNNXBMFYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000491632780 332254803 /nfs/dbraw/zinc/25/48/03/332254803.db2.gz SRGGWIMGRJDTDG-HNNXBMFYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000491632780 332254804 /nfs/dbraw/zinc/25/48/04/332254804.db2.gz SRGGWIMGRJDTDG-HNNXBMFYSA-N 2 1 294.443 0.973 20 30 CCEDMP C#C[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000491657802 332268960 /nfs/dbraw/zinc/26/89/60/332268960.db2.gz KUMWMIYZNQINGJ-CYBMUJFWSA-N 2 1 265.401 0.929 20 30 CCEDMP C#C[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000491657802 332268961 /nfs/dbraw/zinc/26/89/61/332268961.db2.gz KUMWMIYZNQINGJ-CYBMUJFWSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000491672158 332278930 /nfs/dbraw/zinc/27/89/30/332278930.db2.gz SVRTXTDPXXFWDO-INIZCTEOSA-N 2 1 292.427 0.727 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000491768233 332335657 /nfs/dbraw/zinc/33/56/57/332335657.db2.gz HSHSPRYDIWOEEQ-OKILXGFUSA-N 2 1 280.416 0.676 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000491768233 332335659 /nfs/dbraw/zinc/33/56/59/332335659.db2.gz HSHSPRYDIWOEEQ-OKILXGFUSA-N 2 1 280.416 0.676 20 30 CCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174714091 335164433 /nfs/dbraw/zinc/16/44/33/335164433.db2.gz FSWJMSPPCXSUEU-CQSZACIVSA-N 2 1 282.432 0.246 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177696317 335379846 /nfs/dbraw/zinc/37/98/46/335379846.db2.gz RKPWVUJZLGVFKW-UHFFFAOYSA-N 2 1 292.408 0.873 20 30 CCEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@@H+](CCOC)C1 ZINC000385496350 336149056 /nfs/dbraw/zinc/14/90/56/336149056.db2.gz JIWQFCPSKLDQJG-CQSZACIVSA-N 2 1 253.390 0.252 20 30 CCEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@H+](CCOC)C1 ZINC000385496350 336149057 /nfs/dbraw/zinc/14/90/57/336149057.db2.gz JIWQFCPSKLDQJG-CQSZACIVSA-N 2 1 253.390 0.252 20 30 CCEDMP C#CC[N@@H+](C)CCCN[C@@H]1CC[NH+](CCOC)C1 ZINC000385496350 336149058 /nfs/dbraw/zinc/14/90/58/336149058.db2.gz JIWQFCPSKLDQJG-CQSZACIVSA-N 2 1 253.390 0.252 20 30 CCEDMP C#CC[N@H+](C)CCCN[C@@H]1CC[NH+](CCOC)C1 ZINC000385496350 336149060 /nfs/dbraw/zinc/14/90/60/336149060.db2.gz JIWQFCPSKLDQJG-CQSZACIVSA-N 2 1 253.390 0.252 20 30 CCEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=[NH2+])N(C)C1CC1 ZINC000305818866 649880404 /nfs/dbraw/zinc/88/04/04/649880404.db2.gz NQOBBAMWPXBHAP-CYBMUJFWSA-N 2 1 295.431 0.338 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC[NH+](C)C)OCC ZINC000753649609 581549772 /nfs/dbraw/zinc/54/97/72/581549772.db2.gz RSAGFMOUWRMESW-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC[NH+](C)C)OCC ZINC000753649609 581549774 /nfs/dbraw/zinc/54/97/74/581549774.db2.gz RSAGFMOUWRMESW-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000730278527 581689519 /nfs/dbraw/zinc/68/95/19/581689519.db2.gz SWZSRMVBDCPOJF-ILXRZTDVSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000730278527 581689523 /nfs/dbraw/zinc/68/95/23/581689523.db2.gz SWZSRMVBDCPOJF-ILXRZTDVSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000730278527 581689526 /nfs/dbraw/zinc/68/95/26/581689526.db2.gz SWZSRMVBDCPOJF-ILXRZTDVSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000730278527 581689530 /nfs/dbraw/zinc/68/95/30/581689530.db2.gz SWZSRMVBDCPOJF-ILXRZTDVSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000730280855 581690922 /nfs/dbraw/zinc/69/09/22/581690922.db2.gz FDNDGIJCLREMLN-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000730280855 581690923 /nfs/dbraw/zinc/69/09/23/581690923.db2.gz FDNDGIJCLREMLN-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000732058264 581800046 /nfs/dbraw/zinc/80/00/46/581800046.db2.gz QVQUBFZWECIGMH-ILXRZTDVSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000743492286 581814061 /nfs/dbraw/zinc/81/40/61/581814061.db2.gz SDVDQPCJRDIFFY-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000764534954 582055364 /nfs/dbraw/zinc/05/53/64/582055364.db2.gz FCEYOEQIJDFSQE-GFCCVEGCSA-N 2 1 269.389 0.189 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CC[C@@H](C)C1 ZINC000895056439 613075012 /nfs/dbraw/zinc/07/50/12/613075012.db2.gz KWEFLWPVHSLULW-CQSZACIVSA-N 2 1 280.416 0.583 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000876726827 613389976 /nfs/dbraw/zinc/38/99/76/613389976.db2.gz RJTIIWKEUFZPBX-JTQLQIEISA-N 2 1 277.821 0.621 20 30 CCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC000969865186 612994034 /nfs/dbraw/zinc/99/40/34/612994034.db2.gz LPJPZIBJYQDMBY-ZBFHGGJFSA-N 2 1 287.407 0.544 20 30 CCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC000969865186 612994036 /nfs/dbraw/zinc/99/40/36/612994036.db2.gz LPJPZIBJYQDMBY-ZBFHGGJFSA-N 2 1 287.407 0.544 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900472869 613009205 /nfs/dbraw/zinc/00/92/05/613009205.db2.gz ATPFIZIUTMJCKH-MRXNPFEDSA-N 2 1 293.411 0.001 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900472869 613009206 /nfs/dbraw/zinc/00/92/06/613009206.db2.gz ATPFIZIUTMJCKH-MRXNPFEDSA-N 2 1 293.411 0.001 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961665856 613042761 /nfs/dbraw/zinc/04/27/61/613042761.db2.gz VIUYOPHBDLOJCS-FICVDOATSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CCN(C(=O)N[C@@H]1CC[N@H+](CC)C1)C1CC[NH+](C)CC1 ZINC000922911032 613067837 /nfs/dbraw/zinc/06/78/37/613067837.db2.gz XPNINNSJGCAOPR-CQSZACIVSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000891921065 613073519 /nfs/dbraw/zinc/07/35/19/613073519.db2.gz IYNDEHLIRHUSFN-CYBMUJFWSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000820688607 613077609 /nfs/dbraw/zinc/07/76/09/613077609.db2.gz UWUNXELCGAUJLX-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000820688607 613077612 /nfs/dbraw/zinc/07/76/12/613077612.db2.gz UWUNXELCGAUJLX-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000820688607 613077613 /nfs/dbraw/zinc/07/76/13/613077613.db2.gz UWUNXELCGAUJLX-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971551416 613084744 /nfs/dbraw/zinc/08/47/44/613084744.db2.gz JCKQXYQDDRCWIW-CABCVRRESA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969975962 613123823 /nfs/dbraw/zinc/12/38/23/613123823.db2.gz OFIMUWOSEVRTQS-GXTWGEPZSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969975962 613123824 /nfs/dbraw/zinc/12/38/24/613123824.db2.gz OFIMUWOSEVRTQS-GXTWGEPZSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000119035677 613131252 /nfs/dbraw/zinc/13/12/52/613131252.db2.gz LQQJASNRIKDRNF-ZFWWWQNUSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000119035677 613131253 /nfs/dbraw/zinc/13/12/53/613131253.db2.gz LQQJASNRIKDRNF-ZFWWWQNUSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000981324436 613150714 /nfs/dbraw/zinc/15/07/14/613150714.db2.gz LQHDCQFIINEBTJ-UHFFFAOYSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000981324436 613150716 /nfs/dbraw/zinc/15/07/16/613150716.db2.gz LQHDCQFIINEBTJ-UHFFFAOYSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000981953232 613152020 /nfs/dbraw/zinc/15/20/20/613152020.db2.gz JYCXDTYHYHDGLI-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000981953232 613152022 /nfs/dbraw/zinc/15/20/22/613152022.db2.gz JYCXDTYHYHDGLI-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000981953232 613152030 /nfs/dbraw/zinc/15/20/30/613152030.db2.gz JYCXDTYHYHDGLI-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000981953232 613152033 /nfs/dbraw/zinc/15/20/33/613152033.db2.gz JYCXDTYHYHDGLI-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000923567878 613165893 /nfs/dbraw/zinc/16/58/93/613165893.db2.gz WTESWPPKKOFQKO-ZIAGYGMSSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000923567878 613165894 /nfs/dbraw/zinc/16/58/94/613165894.db2.gz WTESWPPKKOFQKO-ZIAGYGMSSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)[C@@H]2CCSC2)C1 ZINC000923567878 613165896 /nfs/dbraw/zinc/16/58/96/613165896.db2.gz WTESWPPKKOFQKO-ZIAGYGMSSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)[C@@H]2CCSC2)C1 ZINC000923567878 613165898 /nfs/dbraw/zinc/16/58/98/613165898.db2.gz WTESWPPKKOFQKO-ZIAGYGMSSA-N 2 1 295.452 0.638 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000890366964 613167493 /nfs/dbraw/zinc/16/74/93/613167493.db2.gz GFODOYUSPWOLJZ-HUUCEWRRSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000890366964 613167494 /nfs/dbraw/zinc/16/74/94/613167494.db2.gz GFODOYUSPWOLJZ-HUUCEWRRSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@@H+](CC)CC2)C1 ZINC000890369641 613167502 /nfs/dbraw/zinc/16/75/02/613167502.db2.gz YJTWOZUKOUOGRX-OAHLLOKOSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000890369641 613167504 /nfs/dbraw/zinc/16/75/04/613167504.db2.gz YJTWOZUKOUOGRX-OAHLLOKOSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](CC)CC2)C1 ZINC000890369641 613167505 /nfs/dbraw/zinc/16/75/05/613167505.db2.gz YJTWOZUKOUOGRX-OAHLLOKOSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](CC)CC2)C1 ZINC000890369641 613167508 /nfs/dbraw/zinc/16/75/08/613167508.db2.gz YJTWOZUKOUOGRX-OAHLLOKOSA-N 2 1 292.427 0.821 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC000896488275 613169346 /nfs/dbraw/zinc/16/93/46/613169346.db2.gz FYFRAZKRHDNMAB-HUUCEWRRSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000896488275 613169347 /nfs/dbraw/zinc/16/93/47/613169347.db2.gz FYFRAZKRHDNMAB-HUUCEWRRSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CC[C@@H](C)C2)C1 ZINC000896488275 613169348 /nfs/dbraw/zinc/16/93/48/613169348.db2.gz FYFRAZKRHDNMAB-HUUCEWRRSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CC[C@@H](C)C2)C1 ZINC000896488275 613169349 /nfs/dbraw/zinc/16/93/49/613169349.db2.gz FYFRAZKRHDNMAB-HUUCEWRRSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000924034201 613187097 /nfs/dbraw/zinc/18/70/97/613187097.db2.gz BJSDSSGJVQRYTG-MELADBBJSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)C1 ZINC000924034201 613187099 /nfs/dbraw/zinc/18/70/99/613187099.db2.gz BJSDSSGJVQRYTG-MELADBBJSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H]2C)C1 ZINC000924034201 613187101 /nfs/dbraw/zinc/18/71/01/613187101.db2.gz BJSDSSGJVQRYTG-MELADBBJSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H]2C)C1 ZINC000924034201 613187103 /nfs/dbraw/zinc/18/71/03/613187103.db2.gz BJSDSSGJVQRYTG-MELADBBJSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947686329 613258095 /nfs/dbraw/zinc/25/80/95/613258095.db2.gz WVHLJTJWZKEORY-HIFRSBDPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974603001 613281596 /nfs/dbraw/zinc/28/15/96/613281596.db2.gz AQKQRVGWONEGKC-MGPQQGTHSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000974603001 613281598 /nfs/dbraw/zinc/28/15/98/613281598.db2.gz AQKQRVGWONEGKC-MGPQQGTHSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000974603001 613281600 /nfs/dbraw/zinc/28/16/00/613281600.db2.gz AQKQRVGWONEGKC-MGPQQGTHSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC000961615166 613322605 /nfs/dbraw/zinc/32/26/05/613322605.db2.gz IKKGOGBUXTZLHC-WDNDVIMCSA-N 2 1 287.363 0.634 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC000908401084 613363603 /nfs/dbraw/zinc/36/36/03/613363603.db2.gz XLRZXVOIANXLOI-UHFFFAOYSA-N 2 1 294.443 0.200 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000907587161 613363783 /nfs/dbraw/zinc/36/37/83/613363783.db2.gz GEWHKZVHSPQRKC-CQSZACIVSA-N 2 1 297.443 0.798 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000900699234 613364736 /nfs/dbraw/zinc/36/47/36/613364736.db2.gz JYKHEGSAUIIUEU-UHFFFAOYSA-N 2 1 296.459 0.638 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000900699234 613364737 /nfs/dbraw/zinc/36/47/37/613364737.db2.gz JYKHEGSAUIIUEU-UHFFFAOYSA-N 2 1 296.459 0.638 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000900699234 613364738 /nfs/dbraw/zinc/36/47/38/613364738.db2.gz JYKHEGSAUIIUEU-UHFFFAOYSA-N 2 1 296.459 0.638 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000908541695 613365293 /nfs/dbraw/zinc/36/52/93/613365293.db2.gz UXCTVBYQATUFSQ-CQSZACIVSA-N 2 1 283.416 0.457 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000885883613 613366607 /nfs/dbraw/zinc/36/66/07/613366607.db2.gz XNVUTQHOAZXZCL-CQSZACIVSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000950510234 613506817 /nfs/dbraw/zinc/50/68/17/613506817.db2.gz OFMAIUSRUDOVKL-ZIAGYGMSSA-N 2 1 265.401 0.904 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981873084 613547313 /nfs/dbraw/zinc/54/73/13/613547313.db2.gz IEJUFZNPNYWJGT-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981873084 613547314 /nfs/dbraw/zinc/54/73/14/613547314.db2.gz IEJUFZNPNYWJGT-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326385 613662463 /nfs/dbraw/zinc/66/24/63/613662463.db2.gz RCPXCMPJEOGRIZ-HIFRSBDPSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326385 613662468 /nfs/dbraw/zinc/66/24/68/613662468.db2.gz RCPXCMPJEOGRIZ-HIFRSBDPSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969703263 613668990 /nfs/dbraw/zinc/66/89/90/613668990.db2.gz FWJOGHQMSKIGRG-OUCADQQQSA-N 2 1 265.401 0.949 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000969382494 613669631 /nfs/dbraw/zinc/66/96/31/613669631.db2.gz SXVNETMCUDMQMT-WCQYABFASA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000917137083 613675050 /nfs/dbraw/zinc/67/50/50/613675050.db2.gz KXKFRSNHXXTIHM-CYBMUJFWSA-N 2 1 266.389 0.640 20 30 CCEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000981686121 613680131 /nfs/dbraw/zinc/68/01/31/613680131.db2.gz JKDWBOLCCNSJGU-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981686121 613680134 /nfs/dbraw/zinc/68/01/34/613680134.db2.gz JKDWBOLCCNSJGU-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686121 613680137 /nfs/dbraw/zinc/68/01/37/613680137.db2.gz JKDWBOLCCNSJGU-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686121 613680140 /nfs/dbraw/zinc/68/01/40/613680140.db2.gz JKDWBOLCCNSJGU-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CCN1CC[C@H]([N@H+](C)C2CCC([NH3+])CC2)C1=O ZINC000843355567 613776676 /nfs/dbraw/zinc/77/66/76/613776676.db2.gz VXIVFSCIHMKZRX-BPCQOVAHSA-N 2 1 251.374 0.975 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940649626 613784274 /nfs/dbraw/zinc/78/42/74/613784274.db2.gz PRAJMABHUUFLDW-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940649626 613784276 /nfs/dbraw/zinc/78/42/76/613784276.db2.gz PRAJMABHUUFLDW-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940649626 613784279 /nfs/dbraw/zinc/78/42/79/613784279.db2.gz PRAJMABHUUFLDW-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940649626 613784282 /nfs/dbraw/zinc/78/42/82/613784282.db2.gz PRAJMABHUUFLDW-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977588344 613808273 /nfs/dbraw/zinc/80/82/73/613808273.db2.gz NMMKBXJPHSTEAW-QWHCGFSZSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979074076 613835521 /nfs/dbraw/zinc/83/55/21/613835521.db2.gz SIQIJSHPCRHYJR-APIJFGDWSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979074076 613835522 /nfs/dbraw/zinc/83/55/22/613835522.db2.gz SIQIJSHPCRHYJR-APIJFGDWSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979074076 613835523 /nfs/dbraw/zinc/83/55/23/613835523.db2.gz SIQIJSHPCRHYJR-APIJFGDWSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979074076 613835524 /nfs/dbraw/zinc/83/55/24/613835524.db2.gz SIQIJSHPCRHYJR-APIJFGDWSA-N 2 1 293.411 0.187 20 30 CCEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000857235518 614288373 /nfs/dbraw/zinc/28/83/73/614288373.db2.gz UGLVOQVXVIIBLL-MELADBBJSA-N 2 1 281.400 0.740 20 30 CCEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000857235518 614288374 /nfs/dbraw/zinc/28/83/74/614288374.db2.gz UGLVOQVXVIIBLL-MELADBBJSA-N 2 1 281.400 0.740 20 30 CCEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000932178410 614341759 /nfs/dbraw/zinc/34/17/59/614341759.db2.gz LOOFAYJNSKFSKQ-CYBMUJFWSA-N 2 1 278.400 0.963 20 30 CCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913517509 614678276 /nfs/dbraw/zinc/67/82/76/614678276.db2.gz DLWREVVYPLRAQF-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437103 615061492 /nfs/dbraw/zinc/06/14/92/615061492.db2.gz WQBDMERRUYBPKE-SOUVJXGZSA-N 2 1 292.427 0.878 20 30 CCEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437103 615061493 /nfs/dbraw/zinc/06/14/93/615061493.db2.gz WQBDMERRUYBPKE-SOUVJXGZSA-N 2 1 292.427 0.878 20 30 CCEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437103 615061495 /nfs/dbraw/zinc/06/14/95/615061495.db2.gz WQBDMERRUYBPKE-SOUVJXGZSA-N 2 1 292.427 0.878 20 30 CCEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437103 615061496 /nfs/dbraw/zinc/06/14/96/615061496.db2.gz WQBDMERRUYBPKE-SOUVJXGZSA-N 2 1 292.427 0.878 20 30 CCEDMP CON=CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855347050 617105654 /nfs/dbraw/zinc/10/56/54/617105654.db2.gz QYHUFCMFLWXXFA-NSHDSACASA-N 2 1 258.366 0.007 20 30 CCEDMP CON=CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855347050 617105656 /nfs/dbraw/zinc/10/56/56/617105656.db2.gz QYHUFCMFLWXXFA-NSHDSACASA-N 2 1 258.366 0.007 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001026044024 625324644 /nfs/dbraw/zinc/32/46/44/625324644.db2.gz JWJDCFKSUUINPA-POQQGIQPSA-N 2 1 263.385 0.417 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026044024 625324646 /nfs/dbraw/zinc/32/46/46/625324646.db2.gz JWJDCFKSUUINPA-POQQGIQPSA-N 2 1 263.385 0.417 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026044024 625324647 /nfs/dbraw/zinc/32/46/47/625324647.db2.gz JWJDCFKSUUINPA-POQQGIQPSA-N 2 1 263.385 0.417 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001007943847 625391329 /nfs/dbraw/zinc/39/13/29/625391329.db2.gz MQDISOSOBZDZBT-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001007943847 625391330 /nfs/dbraw/zinc/39/13/30/625391330.db2.gz MQDISOSOBZDZBT-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001022596138 622564424 /nfs/dbraw/zinc/56/44/24/622564424.db2.gz HLNVXQZWLSZRCQ-XDQVBPFNSA-N 2 1 263.385 0.587 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022718884 622696624 /nfs/dbraw/zinc/69/66/24/622696624.db2.gz GAIAJCWICXAIQP-RVMXOQNASA-N 2 1 251.374 0.607 20 30 CCEDMP C[C@H]1CCCN(C(=[NH2+])NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000170912754 623813246 /nfs/dbraw/zinc/81/32/46/623813246.db2.gz AHFMWEXTNUIRDE-ZDUSSCGKSA-N 2 1 295.431 0.197 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001020508016 624499318 /nfs/dbraw/zinc/49/93/18/624499318.db2.gz HLNVXQZWLSZRCQ-XUXIUFHCSA-N 2 1 263.385 0.587 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001021094094 624658069 /nfs/dbraw/zinc/65/80/69/624658069.db2.gz LFICWKXVMRFFEH-MGPQQGTHSA-N 2 1 263.385 0.731 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615048 630804464 /nfs/dbraw/zinc/80/44/64/630804464.db2.gz LZWCYJFAUAOMHR-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615048 630804468 /nfs/dbraw/zinc/80/44/68/630804468.db2.gz LZWCYJFAUAOMHR-OAHLLOKOSA-N 2 1 295.427 0.818 20 30 CCEDMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCCO1 ZINC000261874132 631665247 /nfs/dbraw/zinc/66/52/47/631665247.db2.gz PNTPMVMUEBDPGJ-AAEUAGOBSA-N 2 1 266.389 0.554 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCOC ZINC000303982770 632502855 /nfs/dbraw/zinc/50/28/55/632502855.db2.gz QPMLJTQAANOIGA-LBPRGKRZSA-N 2 1 254.378 0.578 20 30 CCEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000985491192 632516343 /nfs/dbraw/zinc/51/63/43/632516343.db2.gz DLWROYYZVMHIIE-UKRRQHHQSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000985491192 632516350 /nfs/dbraw/zinc/51/63/50/632516350.db2.gz DLWROYYZVMHIIE-UKRRQHHQSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985491192 632516359 /nfs/dbraw/zinc/51/63/59/632516359.db2.gz DLWROYYZVMHIIE-UKRRQHHQSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985491192 632516365 /nfs/dbraw/zinc/51/63/65/632516365.db2.gz DLWROYYZVMHIIE-UKRRQHHQSA-N 2 1 295.427 0.814 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000988962249 633130761 /nfs/dbraw/zinc/13/07/61/633130761.db2.gz RIMQHJDEVBBNRS-STQMWFEESA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989475546 633314932 /nfs/dbraw/zinc/31/49/32/633314932.db2.gz ZUCDWYGFEQABHH-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000989475546 633314936 /nfs/dbraw/zinc/31/49/36/633314936.db2.gz ZUCDWYGFEQABHH-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000989475546 633314944 /nfs/dbraw/zinc/31/49/44/633314944.db2.gz ZUCDWYGFEQABHH-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000989475546 633314951 /nfs/dbraw/zinc/31/49/51/633314951.db2.gz ZUCDWYGFEQABHH-CQSZACIVSA-N 2 1 263.385 0.496 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001009526556 650147122 /nfs/dbraw/zinc/14/71/22/650147122.db2.gz ZUYRZMXQCMNIKR-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001009526556 650147123 /nfs/dbraw/zinc/14/71/23/650147123.db2.gz ZUYRZMXQCMNIKR-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001009517290 650147184 /nfs/dbraw/zinc/14/71/84/650147184.db2.gz BKQSSEGWJPTLBL-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001009517290 650147186 /nfs/dbraw/zinc/14/71/86/650147186.db2.gz BKQSSEGWJPTLBL-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002118813 639369967 /nfs/dbraw/zinc/36/99/67/639369967.db2.gz VAZPWJFRNPAAHL-AWEZNQCLSA-N 2 1 263.385 0.400 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001003132375 639510445 /nfs/dbraw/zinc/51/04/45/639510445.db2.gz BLZYOWZKKONNSS-UKRRQHHQSA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001003132375 639510447 /nfs/dbraw/zinc/51/04/47/639510447.db2.gz BLZYOWZKKONNSS-UKRRQHHQSA-N 2 1 293.411 0.309 20 30 CCEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000923331400 640087897 /nfs/dbraw/zinc/08/78/97/640087897.db2.gz GMZWNSFCLVVCAM-CYBMUJFWSA-N 2 1 275.352 0.769 20 30 CCEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000923412402 640127700 /nfs/dbraw/zinc/12/77/00/640127700.db2.gz VSZBSWYLJMTBEF-BPLDGKMQSA-N 2 1 289.379 0.825 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334182 650556560 /nfs/dbraw/zinc/55/65/60/650556560.db2.gz GYWDFQXIRFLVFL-WJEHIRDRSA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015334182 650556566 /nfs/dbraw/zinc/55/65/66/650556566.db2.gz GYWDFQXIRFLVFL-WJEHIRDRSA-N 2 1 291.395 0.226 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015334182 650556571 /nfs/dbraw/zinc/55/65/71/650556571.db2.gz GYWDFQXIRFLVFL-WJEHIRDRSA-N 2 1 291.395 0.226 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003615 650673256 /nfs/dbraw/zinc/67/32/56/650673256.db2.gz LROWZVZSNWNWEF-CYBMUJFWSA-N 2 1 261.369 0.296 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016253048 650705975 /nfs/dbraw/zinc/70/59/75/650705975.db2.gz XBCLPMQIYQOAFJ-CYBMUJFWSA-N 2 1 251.374 0.849 20 30 CCEDMP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000834485424 642575626 /nfs/dbraw/zinc/57/56/26/642575626.db2.gz WPZFOPPIVFZELY-DAXOMENPSA-N 2 1 298.390 0.661 20 30 CCEDMP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[N@H+]1CCc2ccccc2C1 ZINC000834485424 642575632 /nfs/dbraw/zinc/57/56/32/642575632.db2.gz WPZFOPPIVFZELY-DAXOMENPSA-N 2 1 298.390 0.661 20 30 CCEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000844194197 643177901 /nfs/dbraw/zinc/17/79/01/643177901.db2.gz BEUHNAUCRYXFRU-WRWGMCAJSA-N 2 1 250.346 0.087 20 30 CCEDMP Cc1[nH+]ccn1CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852858495 644027365 /nfs/dbraw/zinc/02/73/65/644027365.db2.gz BKJHZSUESNPSKF-UHFFFAOYSA-N 2 1 274.368 0.701 20 30 CCEDMP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+](C)C1CC1 ZINC000852864706 644030898 /nfs/dbraw/zinc/03/08/98/644030898.db2.gz FJLFGRHWCGIPLF-LBPRGKRZSA-N 2 1 263.385 0.588 20 30 CCEDMP C[C@@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000852872443 644035658 /nfs/dbraw/zinc/03/56/58/644035658.db2.gz MMRQJCAEUDCDDH-TZMCWYRMSA-N 2 1 275.396 0.731 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1C(F)F ZINC000852881212 644040571 /nfs/dbraw/zinc/04/05/71/644040571.db2.gz SMOANJBIZRZQJE-NSHDSACASA-N 2 1 271.311 0.055 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001018938161 650922754 /nfs/dbraw/zinc/92/27/54/650922754.db2.gz BVIQVQJHGDGJKN-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C(C)C)C1 ZINC001018985498 650927518 /nfs/dbraw/zinc/92/75/18/650927518.db2.gz UTNGWAPBLPQEQT-KBPBESRZSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C(C)C)C1 ZINC001018985498 650927521 /nfs/dbraw/zinc/92/75/21/650927521.db2.gz UTNGWAPBLPQEQT-KBPBESRZSA-N 2 1 263.385 0.683 20 30 CCEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430644 648988128 /nfs/dbraw/zinc/98/81/28/648988128.db2.gz DKDJOTYDBARYCV-HZSPNIEDSA-N 2 1 278.400 0.630 20 30 CCEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931430644 648988132 /nfs/dbraw/zinc/98/81/32/648988132.db2.gz DKDJOTYDBARYCV-HZSPNIEDSA-N 2 1 278.400 0.630 20 30 CCEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430644 648988136 /nfs/dbraw/zinc/98/81/36/648988136.db2.gz DKDJOTYDBARYCV-HZSPNIEDSA-N 2 1 278.400 0.630 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000303990939 649827835 /nfs/dbraw/zinc/82/78/35/649827835.db2.gz ZCCKBDAYPOQZLJ-LLVKDONJSA-N 2 1 256.394 0.800 20 30 CCEDMP CCCCNC(=[NH2+])NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000303866597 649826023 /nfs/dbraw/zinc/82/60/23/649826023.db2.gz CNNNXUGCUFWJTE-AWEZNQCLSA-N 2 1 283.464 0.964 20 30 CCEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)COC)C1 ZINC000303883943 649826335 /nfs/dbraw/zinc/82/63/35/649826335.db2.gz MMDUQZIIJSBYTA-VXGBXAGGSA-N 2 1 256.394 0.658 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc[nH]n1 ZINC000303905790 649826951 /nfs/dbraw/zinc/82/69/51/649826951.db2.gz ZNVYEZDUDCVPCD-LLVKDONJSA-N 2 1 250.350 0.298 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304762998 649838788 /nfs/dbraw/zinc/83/87/88/649838788.db2.gz WHZIRFVPFKMSRO-LBPRGKRZSA-N 2 1 254.378 0.435 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167236244 790729011 /nfs/dbraw/zinc/72/90/11/790729011.db2.gz INCZRVFQZLWXIF-ZIAGYGMSSA-N 2 1 277.412 0.693 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167236241 790729932 /nfs/dbraw/zinc/72/99/32/790729932.db2.gz INCZRVFQZLWXIF-KBPBESRZSA-N 2 1 277.412 0.693 20 30 CCEDMP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266632956 791059947 /nfs/dbraw/zinc/05/99/47/791059947.db2.gz XMPMOUCZDOPKHD-KKUMJFAQSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266879424 791318321 /nfs/dbraw/zinc/31/83/21/791318321.db2.gz WGLSFCOJOGSZHB-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038251883 793227139 /nfs/dbraw/zinc/22/71/39/793227139.db2.gz IYNHRVKEYOGWBH-KBPBESRZSA-N 2 1 263.385 0.705 20 30 CCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038251883 793227145 /nfs/dbraw/zinc/22/71/45/793227145.db2.gz IYNHRVKEYOGWBH-KBPBESRZSA-N 2 1 263.385 0.705 20 30 CCEDMP C=CCn1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cn1 ZINC001234985677 806328533 /nfs/dbraw/zinc/32/85/33/806328533.db2.gz DMENTLUQDVKFHJ-AWEZNQCLSA-N 2 1 261.373 0.206 20 30 CCEDMP N#Cc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(F)c1 ZINC001234987105 806331490 /nfs/dbraw/zinc/33/14/90/806331490.db2.gz MJNWZVONLVMKQD-HNNXBMFYSA-N 2 1 274.343 0.835 20 30 CCEDMP N#Cc1ccc(F)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234987870 806331980 /nfs/dbraw/zinc/33/19/80/806331980.db2.gz PMHMKANLBSDTRE-OAHLLOKOSA-N 2 1 274.343 0.835 20 30 CCEDMP C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CCCC[NH3+] ZINC001235452053 806424093 /nfs/dbraw/zinc/42/40/93/806424093.db2.gz APZPWTUFBLYNGE-CYBMUJFWSA-N 2 1 279.388 0.656 20 30 CCEDMP C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CCCC[NH3+] ZINC001235452053 806424096 /nfs/dbraw/zinc/42/40/96/806424096.db2.gz APZPWTUFBLYNGE-CYBMUJFWSA-N 2 1 279.388 0.656 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881439 800303788 /nfs/dbraw/zinc/30/37/88/800303788.db2.gz NYOBKTNUJAMQSK-CABCVRRESA-N 2 1 295.427 0.413 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881439 800303791 /nfs/dbraw/zinc/30/37/91/800303791.db2.gz NYOBKTNUJAMQSK-CABCVRRESA-N 2 1 295.427 0.413 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152145353 800495579 /nfs/dbraw/zinc/49/55/79/800495579.db2.gz BBPKECXZHASEQE-BETUJISGSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824670 800673079 /nfs/dbraw/zinc/67/30/79/800673079.db2.gz VVXGJEGKSRTHBA-OCCSQVGLSA-N 2 1 265.401 0.786 20 30 CCEDMP Cc1nc(C#N)cnc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155378471 800962752 /nfs/dbraw/zinc/96/27/52/800962752.db2.gz ZWTYLSLEXOZFQD-CQSZACIVSA-N 2 1 286.383 0.516 20 30 CCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156928034 801264969 /nfs/dbraw/zinc/26/49/69/801264969.db2.gz TYQBAJIDLVUJTM-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109251 801303324 /nfs/dbraw/zinc/30/33/24/801303324.db2.gz KOPNBHXJWJRNCD-CYBMUJFWSA-N 2 1 253.390 0.786 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157109251 801303330 /nfs/dbraw/zinc/30/33/30/801303330.db2.gz KOPNBHXJWJRNCD-CYBMUJFWSA-N 2 1 253.390 0.786 20 30 CCEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157109251 801303333 /nfs/dbraw/zinc/30/33/33/801303333.db2.gz KOPNBHXJWJRNCD-CYBMUJFWSA-N 2 1 253.390 0.786 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001159335181 801794426 /nfs/dbraw/zinc/79/44/26/801794426.db2.gz UORDUBSGLFSDSV-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001159725418 801854434 /nfs/dbraw/zinc/85/44/34/801854434.db2.gz INYIBYGNNGXQNN-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001159725418 801854441 /nfs/dbraw/zinc/85/44/41/801854441.db2.gz INYIBYGNNGXQNN-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159725418 801854450 /nfs/dbraw/zinc/85/44/50/801854450.db2.gz INYIBYGNNGXQNN-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159725418 801854457 /nfs/dbraw/zinc/85/44/57/801854457.db2.gz INYIBYGNNGXQNN-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001160003557 801897269 /nfs/dbraw/zinc/89/72/69/801897269.db2.gz UZMZHPBXARUKKH-UHFFFAOYSA-N 2 1 251.374 0.590 20 30 CCEDMP N#CCc1cncc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001161870883 802236384 /nfs/dbraw/zinc/23/63/84/802236384.db2.gz QPKUQDJKBKYKHE-UHFFFAOYSA-N 2 1 260.345 0.378 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161874995 802237532 /nfs/dbraw/zinc/23/75/32/802237532.db2.gz QJCZJFYJCLKAAX-UHFFFAOYSA-N 2 1 275.396 0.854 20 30 CCEDMP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc(C)nc1C#N ZINC001163128154 802488674 /nfs/dbraw/zinc/48/86/74/802488674.db2.gz BEELDLMVSNVXDD-UHFFFAOYSA-N 2 1 275.360 0.935 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166677868 802937384 /nfs/dbraw/zinc/93/73/84/802937384.db2.gz OXNNCUDPARQTMS-CQSZACIVSA-N 2 1 281.400 0.074 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166690415 802938408 /nfs/dbraw/zinc/93/84/08/802938408.db2.gz ABSSRTMERNRSKF-OLZOCXBDSA-N 2 1 251.374 0.303 20 30 CCEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001204793636 803100947 /nfs/dbraw/zinc/10/09/47/803100947.db2.gz KNAPCDVERCHPMQ-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP Cn1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1C#N ZINC001205219502 803126257 /nfs/dbraw/zinc/12/62/57/803126257.db2.gz FJGPRAVNMKHPBB-CQSZACIVSA-N 2 1 262.357 0.572 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cn1 ZINC001205229808 803128245 /nfs/dbraw/zinc/12/82/45/803128245.db2.gz PJPJCPLPALSUGA-CQSZACIVSA-N 2 1 260.341 0.629 20 30 CCEDMP Cn1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cc1C#N ZINC001205672326 803152421 /nfs/dbraw/zinc/15/24/21/803152421.db2.gz IVZZKYHNDDZZJR-AWEZNQCLSA-N 2 1 262.357 0.572 20 30 CCEDMP Cn1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1C#N ZINC001205672326 803152424 /nfs/dbraw/zinc/15/24/24/803152424.db2.gz IVZZKYHNDDZZJR-AWEZNQCLSA-N 2 1 262.357 0.572 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563428 803420263 /nfs/dbraw/zinc/42/02/63/803420263.db2.gz URWIDQMIYXBWAH-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563428 803420268 /nfs/dbraw/zinc/42/02/68/803420268.db2.gz URWIDQMIYXBWAH-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563428 803420274 /nfs/dbraw/zinc/42/02/74/803420274.db2.gz URWIDQMIYXBWAH-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425626 803513335 /nfs/dbraw/zinc/51/33/35/803513335.db2.gz QHZLFECHOCJTFP-CHWSQXEVSA-N 2 1 263.385 0.398 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001088577428 814950398 /nfs/dbraw/zinc/95/03/98/814950398.db2.gz UEHLAAWYJMCFNR-TUVASFSCSA-N 2 1 277.412 0.929 20 30 CCEDMP C=C(C)CN1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219054965 804188275 /nfs/dbraw/zinc/18/82/75/804188275.db2.gz PWYOGEFNJOAUNQ-LSDHHAIUSA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219054965 804188281 /nfs/dbraw/zinc/18/82/81/804188281.db2.gz PWYOGEFNJOAUNQ-LSDHHAIUSA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219054965 804188286 /nfs/dbraw/zinc/18/82/86/804188286.db2.gz PWYOGEFNJOAUNQ-LSDHHAIUSA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054965 804188297 /nfs/dbraw/zinc/18/82/97/804188297.db2.gz PWYOGEFNJOAUNQ-LSDHHAIUSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219655930 804394620 /nfs/dbraw/zinc/39/46/20/804394620.db2.gz BFKRJHSXNQXGRV-TUVASFSCSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219655930 804394629 /nfs/dbraw/zinc/39/46/29/804394629.db2.gz BFKRJHSXNQXGRV-TUVASFSCSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219655930 804394638 /nfs/dbraw/zinc/39/46/38/804394638.db2.gz BFKRJHSXNQXGRV-TUVASFSCSA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220232118 804545179 /nfs/dbraw/zinc/54/51/79/804545179.db2.gz FAUYXEXSCFTOKP-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220289892 804563210 /nfs/dbraw/zinc/56/32/10/804563210.db2.gz GMQPOUQYIVLCCV-HZSPNIEDSA-N 2 1 283.416 0.310 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220868317 804684175 /nfs/dbraw/zinc/68/41/75/804684175.db2.gz GEVNLHQPXGHBPR-AVGNSLFASA-N 2 1 269.364 0.843 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788611 804844608 /nfs/dbraw/zinc/84/46/08/804844608.db2.gz YJLAAQKLNFUUQG-CHWSQXEVSA-N 2 1 251.374 0.657 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001278415868 807097355 /nfs/dbraw/zinc/09/73/55/807097355.db2.gz JVZJETNGGPNMSQ-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C=CCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246021640 807120990 /nfs/dbraw/zinc/12/09/90/807120990.db2.gz LCAYFVNSDDFGQY-MGPQQGTHSA-N 2 1 256.390 0.857 20 30 CCEDMP N#C[C@@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN1 ZINC001246152477 807168630 /nfs/dbraw/zinc/16/86/30/807168630.db2.gz ZARDGHYBGCWIAF-MCIONIFRSA-N 2 1 277.416 0.094 20 30 CCEDMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001278528700 807565890 /nfs/dbraw/zinc/56/58/90/807565890.db2.gz IDUJCIVWOFJYAL-UKRRQHHQSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038117672 815154465 /nfs/dbraw/zinc/15/44/65/815154465.db2.gz PPSSPRGIPHNFQP-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038117672 815154468 /nfs/dbraw/zinc/15/44/68/815154468.db2.gz PPSSPRGIPHNFQP-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038117672 815154472 /nfs/dbraw/zinc/15/44/72/815154472.db2.gz PPSSPRGIPHNFQP-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C[C@@](C)(O)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001252559250 807911317 /nfs/dbraw/zinc/91/13/17/807911317.db2.gz USJNEPYEJYPWSJ-MRXNPFEDSA-N 2 1 295.427 0.585 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=C)C ZINC001278768457 808197567 /nfs/dbraw/zinc/19/75/67/808197567.db2.gz WZPCVJDXNMICOM-GJZGRUSLSA-N 2 1 293.411 0.069 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=C)C ZINC001278768457 808197571 /nfs/dbraw/zinc/19/75/71/808197571.db2.gz WZPCVJDXNMICOM-GJZGRUSLSA-N 2 1 293.411 0.069 20 30 CCEDMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC001254667546 808271024 /nfs/dbraw/zinc/27/10/24/808271024.db2.gz BKWITBUKZXMHCQ-UONOGXRCSA-N 2 1 250.390 0.858 20 30 CCEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001263879125 809596592 /nfs/dbraw/zinc/59/65/92/809596592.db2.gz NJRXRNBFGAKOCC-MGPQQGTHSA-N 2 1 265.401 0.999 20 30 CCEDMP C=CCOCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001263879196 809596802 /nfs/dbraw/zinc/59/68/02/809596802.db2.gz QFOAJAUMRGLDJM-KKUMJFAQSA-N 2 1 295.427 0.625 20 30 CCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265590986 809810604 /nfs/dbraw/zinc/81/06/04/809810604.db2.gz LZACNOWZSUMXKH-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265590986 809810611 /nfs/dbraw/zinc/81/06/11/809810611.db2.gz LZACNOWZSUMXKH-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265590986 809810618 /nfs/dbraw/zinc/81/06/18/809810618.db2.gz LZACNOWZSUMXKH-LSDHHAIUSA-N 2 1 277.412 0.790 20 30 CCEDMP CC#CC[N@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001266128753 809942764 /nfs/dbraw/zinc/94/27/64/809942764.db2.gz LRMBIRSVLLHAMN-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001266128753 809942771 /nfs/dbraw/zinc/94/27/71/809942771.db2.gz LRMBIRSVLLHAMN-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+](CCCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001266128753 809942777 /nfs/dbraw/zinc/94/27/77/809942777.db2.gz LRMBIRSVLLHAMN-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001266128753 809942782 /nfs/dbraw/zinc/94/27/82/809942782.db2.gz LRMBIRSVLLHAMN-OAHLLOKOSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399660 811148121 /nfs/dbraw/zinc/14/81/21/811148121.db2.gz FOJTYWNBSZLFNA-RBSFLKMASA-N 2 1 295.427 0.411 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399660 811148127 /nfs/dbraw/zinc/14/81/27/811148127.db2.gz FOJTYWNBSZLFNA-RBSFLKMASA-N 2 1 295.427 0.411 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001077131612 815449075 /nfs/dbraw/zinc/44/90/75/815449075.db2.gz IKWRQEMJZQWFEQ-RBSFLKMASA-N 2 1 295.427 0.597 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077131612 815449078 /nfs/dbraw/zinc/44/90/78/815449078.db2.gz IKWRQEMJZQWFEQ-RBSFLKMASA-N 2 1 295.427 0.597 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077131612 815449081 /nfs/dbraw/zinc/44/90/81/815449081.db2.gz IKWRQEMJZQWFEQ-RBSFLKMASA-N 2 1 295.427 0.597 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077131612 815449085 /nfs/dbraw/zinc/44/90/85/815449085.db2.gz IKWRQEMJZQWFEQ-RBSFLKMASA-N 2 1 295.427 0.597 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC001268032289 812048770 /nfs/dbraw/zinc/04/87/70/812048770.db2.gz WOTLRCRQTUOWLZ-CQSZACIVSA-N 2 1 293.411 0.359 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001268032289 812048782 /nfs/dbraw/zinc/04/87/82/812048782.db2.gz WOTLRCRQTUOWLZ-CQSZACIVSA-N 2 1 293.411 0.359 20 30 CCEDMP C=CC[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001268253093 812418490 /nfs/dbraw/zinc/41/84/90/812418490.db2.gz LIHGCNYVBUHSAC-UHFFFAOYSA-N 2 1 269.389 0.285 20 30 CCEDMP C=CC[N@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001268253093 812418497 /nfs/dbraw/zinc/41/84/97/812418497.db2.gz LIHGCNYVBUHSAC-UHFFFAOYSA-N 2 1 269.389 0.285 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001028329399 812623911 /nfs/dbraw/zinc/62/39/11/812623911.db2.gz LGMZQGHCTWMRHB-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001028329399 812623914 /nfs/dbraw/zinc/62/39/14/812623914.db2.gz LGMZQGHCTWMRHB-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329399 812623918 /nfs/dbraw/zinc/62/39/18/812623918.db2.gz LGMZQGHCTWMRHB-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329399 812623924 /nfs/dbraw/zinc/62/39/24/812623924.db2.gz LGMZQGHCTWMRHB-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCOC)C1 ZINC001028600554 812955675 /nfs/dbraw/zinc/95/56/75/812955675.db2.gz ADUPGBJAABAFQL-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCOC)C1 ZINC001028600554 812955679 /nfs/dbraw/zinc/95/56/79/812955679.db2.gz ADUPGBJAABAFQL-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCOC)C1 ZINC001028600554 812955685 /nfs/dbraw/zinc/95/56/85/812955685.db2.gz ADUPGBJAABAFQL-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCOC)C1 ZINC001028600554 812955690 /nfs/dbraw/zinc/95/56/90/812955690.db2.gz ADUPGBJAABAFQL-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCOC)C1 ZINC001028600554 812955696 /nfs/dbraw/zinc/95/56/96/812955696.db2.gz ADUPGBJAABAFQL-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC=C ZINC001268798934 813092950 /nfs/dbraw/zinc/09/29/50/813092950.db2.gz QKGLFMWHDNDEDR-AWEZNQCLSA-N 2 1 263.385 0.708 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC=C ZINC001268798934 813092956 /nfs/dbraw/zinc/09/29/56/813092956.db2.gz QKGLFMWHDNDEDR-AWEZNQCLSA-N 2 1 263.385 0.708 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCn2ccnc2)C1 ZINC001269051856 813194595 /nfs/dbraw/zinc/19/45/95/813194595.db2.gz LMUSDUHDPKTJBE-AWEZNQCLSA-N 2 1 290.367 0.114 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCn2ccnc2)C1 ZINC001269051856 813194597 /nfs/dbraw/zinc/19/45/97/813194597.db2.gz LMUSDUHDPKTJBE-AWEZNQCLSA-N 2 1 290.367 0.114 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269138180 813235712 /nfs/dbraw/zinc/23/57/12/813235712.db2.gz AKJWGYPZHLYGQV-KGLIPLIRSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001269511419 813397545 /nfs/dbraw/zinc/39/75/45/813397545.db2.gz YAUXZXMABKAAOI-OLZOCXBDSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CCCN1CCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001270658818 813877667 /nfs/dbraw/zinc/87/76/67/813877667.db2.gz SDVZHKDKUOIUHV-HNNXBMFYSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087909103 814267756 /nfs/dbraw/zinc/26/77/56/814267756.db2.gz YPPIHUCJFJWYQK-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087909103 814267760 /nfs/dbraw/zinc/26/77/60/814267760.db2.gz YPPIHUCJFJWYQK-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087909103 814267766 /nfs/dbraw/zinc/26/77/66/814267766.db2.gz YPPIHUCJFJWYQK-QLFBSQMISA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088010626 814311161 /nfs/dbraw/zinc/31/11/61/814311161.db2.gz CKEQMJUHVXAWFF-QLFBSQMISA-N 2 1 277.412 0.740 20 30 CCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001271185132 814328224 /nfs/dbraw/zinc/32/82/24/814328224.db2.gz SVWGNPZEIGQPAE-ZBFHGGJFSA-N 2 1 297.443 0.702 20 30 CCEDMP C=CC[NH+]1CCC[C@](CO)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001271987156 814664397 /nfs/dbraw/zinc/66/43/97/814664397.db2.gz DPKAMWSPABMUAL-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C=CC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001271987156 814664401 /nfs/dbraw/zinc/66/44/01/814664401.db2.gz DPKAMWSPABMUAL-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CCC)C1 ZINC001271987156 814664404 /nfs/dbraw/zinc/66/44/04/814664404.db2.gz DPKAMWSPABMUAL-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974089 816031015 /nfs/dbraw/zinc/03/10/15/816031015.db2.gz NYJNDIGRYTXUQI-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974089 816031021 /nfs/dbraw/zinc/03/10/21/816031021.db2.gz NYJNDIGRYTXUQI-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C=CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001083719004 816634777 /nfs/dbraw/zinc/63/47/77/816634777.db2.gz KQTCCIONJHXAQU-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1 ZINC001083719004 816634779 /nfs/dbraw/zinc/63/47/79/816634779.db2.gz KQTCCIONJHXAQU-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001083719004 816634782 /nfs/dbraw/zinc/63/47/82/816634782.db2.gz KQTCCIONJHXAQU-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719004 816634784 /nfs/dbraw/zinc/63/47/84/816634784.db2.gz KQTCCIONJHXAQU-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719004 816634786 /nfs/dbraw/zinc/63/47/86/816634786.db2.gz KQTCCIONJHXAQU-ZNMIVQPWSA-N 2 1 295.427 0.456 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255458 816690962 /nfs/dbraw/zinc/69/09/62/816690962.db2.gz SARSUFQNHORKHS-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668650 817231114 /nfs/dbraw/zinc/23/11/14/817231114.db2.gz KTRJQGPOCIZJQS-LSDHHAIUSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668650 817231118 /nfs/dbraw/zinc/23/11/18/817231118.db2.gz KTRJQGPOCIZJQS-LSDHHAIUSA-N 2 1 275.396 0.542 20 30 CCEDMP C=CCN1CC(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001031986730 817524062 /nfs/dbraw/zinc/52/40/62/817524062.db2.gz BDBHRIPBSCRWKC-CHWSQXEVSA-N 2 1 274.368 0.758 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778890 817580040 /nfs/dbraw/zinc/58/00/40/817580040.db2.gz ASTNQQFDRYXHRQ-MJBXVCDLSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778890 817580048 /nfs/dbraw/zinc/58/00/48/817580048.db2.gz ASTNQQFDRYXHRQ-MJBXVCDLSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778890 817580056 /nfs/dbraw/zinc/58/00/56/817580056.db2.gz ASTNQQFDRYXHRQ-MJBXVCDLSA-N 2 1 281.400 0.208 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001052252456 818177615 /nfs/dbraw/zinc/17/76/15/818177615.db2.gz UDIHRCDYVXRHDU-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052252456 818177621 /nfs/dbraw/zinc/17/76/21/818177621.db2.gz UDIHRCDYVXRHDU-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052252456 818177627 /nfs/dbraw/zinc/17/76/27/818177627.db2.gz UDIHRCDYVXRHDU-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032945629 818381564 /nfs/dbraw/zinc/38/15/64/818381564.db2.gz PVSFUHAOQGKXOC-STQMWFEESA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032945629 818381570 /nfs/dbraw/zinc/38/15/70/818381570.db2.gz PVSFUHAOQGKXOC-STQMWFEESA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032945629 818381579 /nfs/dbraw/zinc/38/15/79/818381579.db2.gz PVSFUHAOQGKXOC-STQMWFEESA-N 2 1 251.374 0.799 20 30 CCEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273019053 818434108 /nfs/dbraw/zinc/43/41/08/818434108.db2.gz RMWSBPLJSWDLMT-KGLIPLIRSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033396133 818752238 /nfs/dbraw/zinc/75/22/38/818752238.db2.gz MMSNUSOHLHRLLV-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001033673630 818878788 /nfs/dbraw/zinc/87/87/88/818878788.db2.gz FOEIGIGOURDZNR-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001033673630 818878791 /nfs/dbraw/zinc/87/87/91/818878791.db2.gz FOEIGIGOURDZNR-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033673630 818878797 /nfs/dbraw/zinc/87/87/97/818878797.db2.gz FOEIGIGOURDZNR-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033673630 818878800 /nfs/dbraw/zinc/87/88/00/818878800.db2.gz FOEIGIGOURDZNR-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033660594 818881985 /nfs/dbraw/zinc/88/19/85/818881985.db2.gz IVHARCJWWDSDTA-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033660594 818881992 /nfs/dbraw/zinc/88/19/92/818881992.db2.gz IVHARCJWWDSDTA-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033660594 818881997 /nfs/dbraw/zinc/88/19/97/818881997.db2.gz IVHARCJWWDSDTA-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001033786852 818936725 /nfs/dbraw/zinc/93/67/25/818936725.db2.gz ACESVRWGDYFMKT-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001079730556 820460170 /nfs/dbraw/zinc/46/01/70/820460170.db2.gz BPRZJBIUOCVTSJ-LXTVHRRPSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080254366 820538789 /nfs/dbraw/zinc/53/87/89/820538789.db2.gz VSEJVFNNNUBCFB-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080254366 820538793 /nfs/dbraw/zinc/53/87/93/820538793.db2.gz VSEJVFNNNUBCFB-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080782776 820631076 /nfs/dbraw/zinc/63/10/76/820631076.db2.gz AMUYQDYKROYBSK-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001080782776 820631080 /nfs/dbraw/zinc/63/10/80/820631080.db2.gz AMUYQDYKROYBSK-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080782776 820631084 /nfs/dbraw/zinc/63/10/84/820631084.db2.gz AMUYQDYKROYBSK-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370084 820948617 /nfs/dbraw/zinc/94/86/17/820948617.db2.gz RJDATXUIDUPWHS-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370084 820948626 /nfs/dbraw/zinc/94/86/26/820948626.db2.gz RJDATXUIDUPWHS-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958338 821173164 /nfs/dbraw/zinc/17/31/64/821173164.db2.gz AXAUQOJJVPDCEJ-KGLIPLIRSA-N 2 1 293.411 0.210 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084723451 821360217 /nfs/dbraw/zinc/36/02/17/821360217.db2.gz JGMRDTJAFKECJZ-HUUCEWRRSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084723451 821360227 /nfs/dbraw/zinc/36/02/27/821360227.db2.gz JGMRDTJAFKECJZ-HUUCEWRRSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001085512724 821759664 /nfs/dbraw/zinc/75/96/64/821759664.db2.gz BJAIXQRONXZVCJ-CHWSQXEVSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001085512724 821759670 /nfs/dbraw/zinc/75/96/70/821759670.db2.gz BJAIXQRONXZVCJ-CHWSQXEVSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001085512724 821759674 /nfs/dbraw/zinc/75/96/74/821759674.db2.gz BJAIXQRONXZVCJ-CHWSQXEVSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001085512724 821759681 /nfs/dbraw/zinc/75/96/81/821759681.db2.gz BJAIXQRONXZVCJ-CHWSQXEVSA-N 2 1 251.374 0.799 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085972674 822046874 /nfs/dbraw/zinc/04/68/74/822046874.db2.gz GCQTXZISQQANIB-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085972674 822046883 /nfs/dbraw/zinc/04/68/83/822046883.db2.gz GCQTXZISQQANIB-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100042069 822148194 /nfs/dbraw/zinc/14/81/94/822148194.db2.gz SPPNBSBIGHIOLZ-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001086402313 822238580 /nfs/dbraw/zinc/23/85/80/822238580.db2.gz PMYIJTILSVUAFJ-IHRRRGAJSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001086477988 822274274 /nfs/dbraw/zinc/27/42/74/822274274.db2.gz FFYOHCQBFZJLSL-SYQHCUMBSA-N 2 1 265.401 0.855 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129526798 837520141 /nfs/dbraw/zinc/52/01/41/837520141.db2.gz SVIPZUBCBOPWPG-UHFFFAOYSA-N 2 1 259.781 0.929 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129842358 837566710 /nfs/dbraw/zinc/56/67/10/837566710.db2.gz WXQNATLKTNIOAM-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169982703 836632098 /nfs/dbraw/zinc/63/20/98/836632098.db2.gz NQNNRJGDXFGEIH-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169982703 836632102 /nfs/dbraw/zinc/63/21/02/836632102.db2.gz NQNNRJGDXFGEIH-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433301 836762789 /nfs/dbraw/zinc/76/27/89/836762789.db2.gz PODHNCXGQJMKAE-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090433301 836762793 /nfs/dbraw/zinc/76/27/93/836762793.db2.gz PODHNCXGQJMKAE-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113538265 837152267 /nfs/dbraw/zinc/15/22/67/837152267.db2.gz GARXHZGIJIZAOZ-OAHLLOKOSA-N 2 1 295.427 0.675 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001113538265 837152274 /nfs/dbraw/zinc/15/22/74/837152274.db2.gz GARXHZGIJIZAOZ-OAHLLOKOSA-N 2 1 295.427 0.675 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086665288 838051708 /nfs/dbraw/zinc/05/17/08/838051708.db2.gz ZYAKXORNLKIDOZ-ZNMIVQPWSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086665288 838051721 /nfs/dbraw/zinc/05/17/21/838051721.db2.gz ZYAKXORNLKIDOZ-ZNMIVQPWSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521891 838121237 /nfs/dbraw/zinc/12/12/37/838121237.db2.gz KVDMWFZQTRGBPA-JVWICGRDSA-N 2 1 279.384 0.132 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521998 838121538 /nfs/dbraw/zinc/12/15/38/838121538.db2.gz OVTDEFFJGLNGBZ-NPCAHTBFSA-N 2 1 293.411 0.522 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133862725 838753384 /nfs/dbraw/zinc/75/33/84/838753384.db2.gz FRVHYEQVBZUOHV-CHWSQXEVSA-N 2 1 269.389 0.093 20 30 CCEDMP C#CC[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133886610 838772101 /nfs/dbraw/zinc/77/21/01/838772101.db2.gz SNFGKTZCIJGWCQ-UHFFFAOYSA-N 2 1 276.340 0.223 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148635300 840872466 /nfs/dbraw/zinc/87/24/66/840872466.db2.gz DYIHTKOOBSXTMM-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186833853 844601981 /nfs/dbraw/zinc/60/19/81/844601981.db2.gz JRDRFZWADYNPAM-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092931619 841086979 /nfs/dbraw/zinc/08/69/79/841086979.db2.gz RHQXWOYQQRSGMC-UKRRQHHQSA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001150620571 842404938 /nfs/dbraw/zinc/40/49/38/842404938.db2.gz SKFZJNAINPYZER-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001150620571 842404943 /nfs/dbraw/zinc/40/49/43/842404943.db2.gz SKFZJNAINPYZER-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150620571 842404949 /nfs/dbraw/zinc/40/49/49/842404949.db2.gz SKFZJNAINPYZER-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150620571 842404954 /nfs/dbraw/zinc/40/49/54/842404954.db2.gz SKFZJNAINPYZER-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176986740 842478220 /nfs/dbraw/zinc/47/82/20/842478220.db2.gz UYEHWLLIYIKIQX-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178106591 842758365 /nfs/dbraw/zinc/75/83/65/842758365.db2.gz FFKHPERTFNFGKM-CQSZACIVSA-N 2 1 283.416 0.769 20 30 CCEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178106591 842758372 /nfs/dbraw/zinc/75/83/72/842758372.db2.gz FFKHPERTFNFGKM-CQSZACIVSA-N 2 1 283.416 0.769 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054616 845029002 /nfs/dbraw/zinc/02/90/02/845029002.db2.gz IDIAOVWXUDYHGK-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126783 845673047 /nfs/dbraw/zinc/67/30/47/845673047.db2.gz VADPWBIUFHYJNH-NHAGDIPZSA-N 2 1 281.400 0.187 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191996755 845764330 /nfs/dbraw/zinc/76/43/30/845764330.db2.gz DEMRHQRWUGGSRT-ZDUSSCGKSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001192355216 845826803 /nfs/dbraw/zinc/82/68/03/845826803.db2.gz PROZHWRHPKEXRW-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192355216 845826805 /nfs/dbraw/zinc/82/68/05/845826805.db2.gz PROZHWRHPKEXRW-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192355216 845826809 /nfs/dbraw/zinc/82/68/09/845826809.db2.gz PROZHWRHPKEXRW-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001193102010 845976451 /nfs/dbraw/zinc/97/64/51/845976451.db2.gz BFKRJHSXNQXGRV-KBUPBQIOSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193102010 845976461 /nfs/dbraw/zinc/97/64/61/845976461.db2.gz BFKRJHSXNQXGRV-KBUPBQIOSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193102010 845976472 /nfs/dbraw/zinc/97/64/72/845976472.db2.gz BFKRJHSXNQXGRV-KBUPBQIOSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194037670 846200550 /nfs/dbraw/zinc/20/05/50/846200550.db2.gz IAYFFLWBMMDKKJ-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195980819 846656756 /nfs/dbraw/zinc/65/67/56/846656756.db2.gz GMQPOUQYIVLCCV-MGPQQGTHSA-N 2 1 283.416 0.310 20 30 CCEDMP C=CCOCC[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197049422 846833139 /nfs/dbraw/zinc/83/31/39/846833139.db2.gz PHGGUBDQSSULLX-UHFFFAOYSA-N 2 1 283.416 0.675 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198021261 847028128 /nfs/dbraw/zinc/02/81/28/847028128.db2.gz VMBVTRUEMVIKLC-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198021261 847028138 /nfs/dbraw/zinc/02/81/38/847028138.db2.gz VMBVTRUEMVIKLC-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198021261 847028146 /nfs/dbraw/zinc/02/81/46/847028146.db2.gz VMBVTRUEMVIKLC-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198021261 847028152 /nfs/dbraw/zinc/02/81/52/847028152.db2.gz VMBVTRUEMVIKLC-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202504171 848001967 /nfs/dbraw/zinc/00/19/67/848001967.db2.gz RAQYWLGSULBSFM-HIFRSBDPSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114401641 848034797 /nfs/dbraw/zinc/03/47/97/848034797.db2.gz VSSKXJPMLDFBEY-ITGUQSILSA-N 2 1 263.385 0.703 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114408778 848050654 /nfs/dbraw/zinc/05/06/54/848050654.db2.gz AIUQHFQIZPBFSH-YJNKXOJESA-N 2 1 277.412 0.949 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001114426476 848056405 /nfs/dbraw/zinc/05/64/05/848056405.db2.gz NHTCXOCCZDBXOB-TTZDDIAXSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114426476 848056416 /nfs/dbraw/zinc/05/64/16/848056416.db2.gz NHTCXOCCZDBXOB-TTZDDIAXSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114426476 848056425 /nfs/dbraw/zinc/05/64/25/848056425.db2.gz NHTCXOCCZDBXOB-TTZDDIAXSA-N 2 1 275.396 0.540 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001275099233 848637664 /nfs/dbraw/zinc/63/76/64/848637664.db2.gz SJOFECCKBNXOBF-WDEREUQCSA-N 2 1 259.781 0.927 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001275144019 848650674 /nfs/dbraw/zinc/65/06/74/848650674.db2.gz SXJUGYZZRLWYHK-HNNXBMFYSA-N 2 1 295.427 0.511 20 30 CCEDMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001276003804 848887984 /nfs/dbraw/zinc/88/79/84/848887984.db2.gz UGGVYFAPHRTOFP-LSDHHAIUSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114846189 849428859 /nfs/dbraw/zinc/42/88/59/849428859.db2.gz HSLKPJBGIYWMAX-QNWHQSFQSA-N 2 1 251.374 0.559 20 30 CCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038453136 849905840 /nfs/dbraw/zinc/90/58/40/849905840.db2.gz DZIODLLQBBSZNX-AWEZNQCLSA-N 2 1 275.396 0.829 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038453136 849905848 /nfs/dbraw/zinc/90/58/48/849905848.db2.gz DZIODLLQBBSZNX-AWEZNQCLSA-N 2 1 275.396 0.829 20 30 CCEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001039343670 850175316 /nfs/dbraw/zinc/17/53/16/850175316.db2.gz YMVVZGNPJSYEPS-QLFBSQMISA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001039343670 850175325 /nfs/dbraw/zinc/17/53/25/850175325.db2.gz YMVVZGNPJSYEPS-QLFBSQMISA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001039343670 850175333 /nfs/dbraw/zinc/17/53/33/850175333.db2.gz YMVVZGNPJSYEPS-QLFBSQMISA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001039343670 850175338 /nfs/dbraw/zinc/17/53/38/850175338.db2.gz YMVVZGNPJSYEPS-QLFBSQMISA-N 2 1 275.396 0.779 20 30 CCEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041170004 850390368 /nfs/dbraw/zinc/39/03/68/850390368.db2.gz MMXBDTQSOVSYQR-ZBFHGGJFSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041170004 850390379 /nfs/dbraw/zinc/39/03/79/850390379.db2.gz MMXBDTQSOVSYQR-ZBFHGGJFSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041170004 850390389 /nfs/dbraw/zinc/39/03/89/850390389.db2.gz MMXBDTQSOVSYQR-ZBFHGGJFSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041170004 850390400 /nfs/dbraw/zinc/39/04/00/850390400.db2.gz MMXBDTQSOVSYQR-ZBFHGGJFSA-N 2 1 293.411 0.427 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3ccnc3)C[C@H]21 ZINC001042173122 850586628 /nfs/dbraw/zinc/58/66/28/850586628.db2.gz LVURTAMNOWHJMJ-HUUCEWRRSA-N 2 1 286.379 0.829 20 30 CCEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001045476895 851264191 /nfs/dbraw/zinc/26/41/91/851264191.db2.gz GEMYWFRXQPDZRO-ZIAGYGMSSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001045476895 851264197 /nfs/dbraw/zinc/26/41/97/851264197.db2.gz GEMYWFRXQPDZRO-ZIAGYGMSSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046323047 851466587 /nfs/dbraw/zinc/46/65/87/851466587.db2.gz FLVGWYASSCBBER-HOCLYGCPSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046323045 851466797 /nfs/dbraw/zinc/46/67/97/851466797.db2.gz FLVGWYASSCBBER-GDBMZVCRSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096354722 851951485 /nfs/dbraw/zinc/95/14/85/851951485.db2.gz PPVNPSLBTGIEPZ-RDBSUJKOSA-N 2 1 273.380 0.437 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096354722 851951494 /nfs/dbraw/zinc/95/14/94/851951494.db2.gz PPVNPSLBTGIEPZ-RDBSUJKOSA-N 2 1 273.380 0.437 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058297 852150161 /nfs/dbraw/zinc/15/01/61/852150161.db2.gz WOWDWXABNGQAAD-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058297 852150165 /nfs/dbraw/zinc/15/01/65/852150165.db2.gz WOWDWXABNGQAAD-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058297 852150172 /nfs/dbraw/zinc/15/01/72/852150172.db2.gz WOWDWXABNGQAAD-SOUVJXGZSA-N 2 1 275.396 0.494 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058488 852151112 /nfs/dbraw/zinc/15/11/12/852151112.db2.gz DXVCQTQQFACKQZ-KFWWJZLASA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058488 852151123 /nfs/dbraw/zinc/15/11/23/852151123.db2.gz DXVCQTQQFACKQZ-KFWWJZLASA-N 2 1 277.412 0.904 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058488 852151132 /nfs/dbraw/zinc/15/11/32/852151132.db2.gz DXVCQTQQFACKQZ-KFWWJZLASA-N 2 1 277.412 0.904 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049906228 852392391 /nfs/dbraw/zinc/39/23/91/852392391.db2.gz QPSPUUWFTDRYMM-CABCVRRESA-N 2 1 286.379 0.890 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049906228 852392402 /nfs/dbraw/zinc/39/24/02/852392402.db2.gz QPSPUUWFTDRYMM-CABCVRRESA-N 2 1 286.379 0.890 20 30 CCEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001054240116 852897731 /nfs/dbraw/zinc/89/77/31/852897731.db2.gz MRNMONSFOHEUDH-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054240116 852897734 /nfs/dbraw/zinc/89/77/34/852897734.db2.gz MRNMONSFOHEUDH-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054240116 852897738 /nfs/dbraw/zinc/89/77/38/852897738.db2.gz MRNMONSFOHEUDH-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052274974 853720046 /nfs/dbraw/zinc/72/00/46/853720046.db2.gz DRXSVUHWKWEVSY-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052274974 853720049 /nfs/dbraw/zinc/72/00/49/853720049.db2.gz DRXSVUHWKWEVSY-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052274974 853720052 /nfs/dbraw/zinc/72/00/52/853720052.db2.gz DRXSVUHWKWEVSY-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052274974 853720053 /nfs/dbraw/zinc/72/00/53/853720053.db2.gz DRXSVUHWKWEVSY-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052275484 853721254 /nfs/dbraw/zinc/72/12/54/853721254.db2.gz MMMAYPLMHYUTMH-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052275484 853721255 /nfs/dbraw/zinc/72/12/55/853721255.db2.gz MMMAYPLMHYUTMH-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052275484 853721259 /nfs/dbraw/zinc/72/12/59/853721259.db2.gz MMMAYPLMHYUTMH-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052275484 853721262 /nfs/dbraw/zinc/72/12/62/853721262.db2.gz MMMAYPLMHYUTMH-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052490928 853756631 /nfs/dbraw/zinc/75/66/31/853756631.db2.gz WZSSQPHHUHGZPC-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052490928 853756633 /nfs/dbraw/zinc/75/66/33/853756633.db2.gz WZSSQPHHUHGZPC-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052490928 853756640 /nfs/dbraw/zinc/75/66/40/853756640.db2.gz WZSSQPHHUHGZPC-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052490928 853756645 /nfs/dbraw/zinc/75/66/45/853756645.db2.gz WZSSQPHHUHGZPC-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001072981278 854507673 /nfs/dbraw/zinc/50/76/73/854507673.db2.gz CGVMIMMKSWNOEU-GJZGRUSLSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072981278 854507683 /nfs/dbraw/zinc/50/76/83/854507683.db2.gz CGVMIMMKSWNOEU-GJZGRUSLSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072981278 854507693 /nfs/dbraw/zinc/50/76/93/854507693.db2.gz CGVMIMMKSWNOEU-GJZGRUSLSA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879709 855016104 /nfs/dbraw/zinc/01/61/04/855016104.db2.gz OMHAGOREVPYIFK-KGLIPLIRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879709 855016105 /nfs/dbraw/zinc/01/61/05/855016105.db2.gz OMHAGOREVPYIFK-KGLIPLIRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879709 855016107 /nfs/dbraw/zinc/01/61/07/855016107.db2.gz OMHAGOREVPYIFK-KGLIPLIRSA-N 2 1 281.400 0.208 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099898992 855023396 /nfs/dbraw/zinc/02/33/96/855023396.db2.gz LCWSDQNPYDCMDP-ZIAGYGMSSA-N 2 1 295.427 0.291 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898992 855023401 /nfs/dbraw/zinc/02/34/01/855023401.db2.gz LCWSDQNPYDCMDP-ZIAGYGMSSA-N 2 1 295.427 0.291 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898992 855023409 /nfs/dbraw/zinc/02/34/09/855023409.db2.gz LCWSDQNPYDCMDP-ZIAGYGMSSA-N 2 1 295.427 0.291 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099898991 855024160 /nfs/dbraw/zinc/02/41/60/855024160.db2.gz LCWSDQNPYDCMDP-UONOGXRCSA-N 2 1 295.427 0.291 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898991 855024165 /nfs/dbraw/zinc/02/41/65/855024165.db2.gz LCWSDQNPYDCMDP-UONOGXRCSA-N 2 1 295.427 0.291 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099898991 855024170 /nfs/dbraw/zinc/02/41/70/855024170.db2.gz LCWSDQNPYDCMDP-UONOGXRCSA-N 2 1 295.427 0.291 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971570 855055593 /nfs/dbraw/zinc/05/55/93/855055593.db2.gz JWQONOCUDBQXBD-ZIAGYGMSSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971478 855056269 /nfs/dbraw/zinc/05/62/69/855056269.db2.gz IRPHSRDUVHNLSA-STQMWFEESA-N 2 1 281.400 0.066 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100065214 855090633 /nfs/dbraw/zinc/09/06/33/855090633.db2.gz ZJPRBDPXMJEYRR-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100065214 855090638 /nfs/dbraw/zinc/09/06/38/855090638.db2.gz ZJPRBDPXMJEYRR-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100065214 855090643 /nfs/dbraw/zinc/09/06/43/855090643.db2.gz ZJPRBDPXMJEYRR-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076135 855094104 /nfs/dbraw/zinc/09/41/04/855094104.db2.gz GYXIDYUHBAUELD-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100083240 855097271 /nfs/dbraw/zinc/09/72/71/855097271.db2.gz PAWFERNQUGOIKD-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100083240 855097276 /nfs/dbraw/zinc/09/72/76/855097276.db2.gz PAWFERNQUGOIKD-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100083240 855097280 /nfs/dbraw/zinc/09/72/80/855097280.db2.gz PAWFERNQUGOIKD-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001100675890 855207926 /nfs/dbraw/zinc/20/79/26/855207926.db2.gz BVBSXOJPZWUBGK-NFOMZHRRSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001100675891 855208668 /nfs/dbraw/zinc/20/86/68/855208668.db2.gz BVBSXOJPZWUBGK-WLYUNCDWSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513416 855441914 /nfs/dbraw/zinc/44/19/14/855441914.db2.gz JSEQFKGMXYDOPG-HUUCEWRRSA-N 2 1 297.443 0.825 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579858 855447792 /nfs/dbraw/zinc/44/77/92/855447792.db2.gz UFMDGEBKQAYWSI-ZIAGYGMSSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111856055 855600310 /nfs/dbraw/zinc/60/03/10/855600310.db2.gz ZSKDDJLAEKAFII-YOEHRIQHSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263174 856229182 /nfs/dbraw/zinc/22/91/82/856229182.db2.gz CJAITLMIEORXKE-UHFFFAOYSA-N 2 1 294.399 0.464 20 30 CCEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211072975 891579875 /nfs/dbraw/zinc/57/98/75/891579875.db2.gz XWJSVQBZLDUZAV-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)C[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480907304 891738741 /nfs/dbraw/zinc/73/87/41/891738741.db2.gz CMBUIYYORXYNFV-UHFFFAOYSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001325850116 913606735 /nfs/dbraw/zinc/60/67/35/913606735.db2.gz VAKGELIBVOIJIH-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001481066979 892125083 /nfs/dbraw/zinc/12/50/83/892125083.db2.gz YNWQFTAWKUKCAK-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481066979 892125094 /nfs/dbraw/zinc/12/50/94/892125094.db2.gz YNWQFTAWKUKCAK-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001481066979 892125106 /nfs/dbraw/zinc/12/51/06/892125106.db2.gz YNWQFTAWKUKCAK-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001481108089 892170584 /nfs/dbraw/zinc/17/05/84/892170584.db2.gz OTGIVDAFPNCWJN-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001481123421 892199822 /nfs/dbraw/zinc/19/98/22/892199822.db2.gz IEIBEFFDHBFOMV-HUUCEWRRSA-N 2 1 293.411 0.026 20 30 CCEDMP C#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001481424049 892640606 /nfs/dbraw/zinc/64/06/06/892640606.db2.gz NBKLHBUSYVSIJG-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481424049 892640615 /nfs/dbraw/zinc/64/06/15/892640615.db2.gz NBKLHBUSYVSIJG-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481424049 892640618 /nfs/dbraw/zinc/64/06/18/892640618.db2.gz NBKLHBUSYVSIJG-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001482066922 893350075 /nfs/dbraw/zinc/35/00/75/893350075.db2.gz YKIXHINWCKLRCC-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001482066922 893350082 /nfs/dbraw/zinc/35/00/82/893350082.db2.gz YKIXHINWCKLRCC-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)Cc2cncn2C)C1 ZINC001482202789 893534741 /nfs/dbraw/zinc/53/47/41/893534741.db2.gz LUWBZBMBOOJZLN-AWEZNQCLSA-N 2 1 292.383 0.356 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)Cc2cncn2C)C1 ZINC001482202789 893534750 /nfs/dbraw/zinc/53/47/50/893534750.db2.gz LUWBZBMBOOJZLN-AWEZNQCLSA-N 2 1 292.383 0.356 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001482433545 893978034 /nfs/dbraw/zinc/97/80/34/893978034.db2.gz KUJZZQRWHYZPLH-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482648890 894446264 /nfs/dbraw/zinc/44/62/64/894446264.db2.gz AMJBJXHVOJTZMM-ZDUSSCGKSA-N 2 1 251.374 0.352 20 30 CCEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482648890 894446274 /nfs/dbraw/zinc/44/62/74/894446274.db2.gz AMJBJXHVOJTZMM-ZDUSSCGKSA-N 2 1 251.374 0.352 20 30 CCEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482648889 894447489 /nfs/dbraw/zinc/44/74/89/894447489.db2.gz AMJBJXHVOJTZMM-CYBMUJFWSA-N 2 1 251.374 0.352 20 30 CCEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482648889 894447502 /nfs/dbraw/zinc/44/75/02/894447502.db2.gz AMJBJXHVOJTZMM-CYBMUJFWSA-N 2 1 251.374 0.352 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001507328590 895550922 /nfs/dbraw/zinc/55/09/22/895550922.db2.gz QKCHBVUYJIHXAQ-LSDHHAIUSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001483508705 895621220 /nfs/dbraw/zinc/62/12/20/895621220.db2.gz ANCCMBDZQATEJB-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001483508705 895621225 /nfs/dbraw/zinc/62/12/25/895621225.db2.gz ANCCMBDZQATEJB-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484252889 896290782 /nfs/dbraw/zinc/29/07/82/896290782.db2.gz XXJBEDCKJSTLSF-ZFWWWQNUSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CCC[NH+]1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484306437 896327841 /nfs/dbraw/zinc/32/78/41/896327841.db2.gz MDNJRIJOJMBTLZ-ZDUSSCGKSA-N 2 1 283.416 0.312 20 30 CCEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001484856667 896637362 /nfs/dbraw/zinc/63/73/62/896637362.db2.gz OQJYGZNNEGMGJC-OAHLLOKOSA-N 2 1 283.416 0.457 20 30 CCEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485248110 896882991 /nfs/dbraw/zinc/88/29/91/896882991.db2.gz FOBGORBDVZCEJA-AWEZNQCLSA-N 2 1 295.427 0.415 20 30 CCEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485248110 896883015 /nfs/dbraw/zinc/88/30/15/896883015.db2.gz FOBGORBDVZCEJA-AWEZNQCLSA-N 2 1 295.427 0.415 20 30 CCEDMP CC#CC[N@@H+](C)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001485769610 897236490 /nfs/dbraw/zinc/23/64/90/897236490.db2.gz MJKINVKWUXIXKV-UHFFFAOYSA-N 2 1 274.368 0.829 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418177 897905933 /nfs/dbraw/zinc/90/59/33/897905933.db2.gz CKQOSNRPAGZVPJ-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418177 897905948 /nfs/dbraw/zinc/90/59/48/897905948.db2.gz CKQOSNRPAGZVPJ-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418177 897905957 /nfs/dbraw/zinc/90/59/57/897905957.db2.gz CKQOSNRPAGZVPJ-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)CCC1 ZINC001326836018 914217985 /nfs/dbraw/zinc/21/79/85/914217985.db2.gz YSBKLFSVXLTLHG-AWEZNQCLSA-N 2 1 273.380 0.346 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC#C)CCC1 ZINC001326836018 914218002 /nfs/dbraw/zinc/21/80/02/914218002.db2.gz YSBKLFSVXLTLHG-AWEZNQCLSA-N 2 1 273.380 0.346 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078007589 898175579 /nfs/dbraw/zinc/17/55/79/898175579.db2.gz UWSVPFBJNUKGOU-BFHYXJOUSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436863 898220976 /nfs/dbraw/zinc/22/09/76/898220976.db2.gz NOPGFSFELCKPBX-KFWWJZLASA-N 2 1 297.443 0.964 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001486094944 898653170 /nfs/dbraw/zinc/65/31/70/898653170.db2.gz FMIQCPBOYWAJRJ-UONOGXRCSA-N 2 1 265.401 0.929 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001486239955 898722147 /nfs/dbraw/zinc/72/21/47/898722147.db2.gz HNRXBEYTEDVOGA-ZIAGYGMSSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001486388977 898849999 /nfs/dbraw/zinc/84/99/99/898849999.db2.gz HBYPGFLUZCDJBX-CHWSQXEVSA-N 2 1 265.401 0.834 20 30 CCEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001327017625 914315561 /nfs/dbraw/zinc/31/55/61/914315561.db2.gz JZEUVIRPPDOCTM-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390686 900012530 /nfs/dbraw/zinc/01/25/30/900012530.db2.gz SYRVHAOTZNVGBQ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189390686 900012541 /nfs/dbraw/zinc/01/25/41/900012541.db2.gz SYRVHAOTZNVGBQ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189390686 900012555 /nfs/dbraw/zinc/01/25/55/900012555.db2.gz SYRVHAOTZNVGBQ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001488872875 900408466 /nfs/dbraw/zinc/40/84/66/900408466.db2.gz SJMDXOHVONGINY-HDJSIYSDSA-N 2 1 265.401 0.836 20 30 CCEDMP CC#CC[N@@H+](C)CCCNC(=O)C[NH+](C)C(C)C ZINC001490282048 900588372 /nfs/dbraw/zinc/58/83/72/900588372.db2.gz QKPDXUAEUHLGMZ-UHFFFAOYSA-N 2 1 253.390 0.788 20 30 CCEDMP C=CC[N@H+](C)CCCNC(=O)CC[NH+]1CCOCC1 ZINC001490258979 900575456 /nfs/dbraw/zinc/57/54/56/900575456.db2.gz QACMVEWMYVOHBU-UHFFFAOYSA-N 2 1 269.389 0.333 20 30 CCEDMP C=CC[N@@H+](C)CCCNC(=O)CC[NH+]1CCOCC1 ZINC001490258979 900575461 /nfs/dbraw/zinc/57/54/61/900575461.db2.gz QACMVEWMYVOHBU-UHFFFAOYSA-N 2 1 269.389 0.333 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001280593229 900972256 /nfs/dbraw/zinc/97/22/56/900972256.db2.gz ABZZJTRITJOSDS-LSDHHAIUSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001330987310 903941376 /nfs/dbraw/zinc/94/13/76/903941376.db2.gz JMPSZORGELCZKW-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001330987310 903941393 /nfs/dbraw/zinc/94/13/93/903941393.db2.gz JMPSZORGELCZKW-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001491566385 904007026 /nfs/dbraw/zinc/00/70/26/904007026.db2.gz SGOXMYICCSTQQZ-JSGCOSHPSA-N 2 1 288.395 0.872 20 30 CCEDMP C=CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C)CCOCC1 ZINC001281282893 904256814 /nfs/dbraw/zinc/25/68/14/904256814.db2.gz JQRRYMSTOTUISG-UHFFFAOYSA-N 2 1 292.383 0.633 20 30 CCEDMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001281769980 904344941 /nfs/dbraw/zinc/34/49/41/904344941.db2.gz BZLXUIOXMRZTQP-QWHCGFSZSA-N 2 1 253.390 0.999 20 30 CCEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001283714670 904970983 /nfs/dbraw/zinc/97/09/83/904970983.db2.gz OUAWKHHZGNWQPJ-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001283714670 904970998 /nfs/dbraw/zinc/97/09/98/904970998.db2.gz OUAWKHHZGNWQPJ-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001283755492 904994564 /nfs/dbraw/zinc/99/45/64/904994564.db2.gz IJLGRPKCELBHLH-STQMWFEESA-N 2 1 269.389 0.112 20 30 CCEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001284501413 905337751 /nfs/dbraw/zinc/33/77/51/905337751.db2.gz DHKLDKRTHGIZFV-CABCVRRESA-N 2 1 295.427 0.245 20 30 CCEDMP C=CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CCOC ZINC001284658019 905413422 /nfs/dbraw/zinc/41/34/22/905413422.db2.gz OHEGBIYJKZVMED-UHFFFAOYSA-N 2 1 283.416 0.579 20 30 CCEDMP C#CCN1CCC[C@@H](NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC001337016101 921153978 /nfs/dbraw/zinc/15/39/78/921153978.db2.gz LTAJNSUVKRHXMQ-KFWWJZLASA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)C1 ZINC001337016101 921153981 /nfs/dbraw/zinc/15/39/81/921153981.db2.gz LTAJNSUVKRHXMQ-KFWWJZLASA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC001337016101 921153984 /nfs/dbraw/zinc/15/39/84/921153984.db2.gz LTAJNSUVKRHXMQ-KFWWJZLASA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)C1 ZINC001337016101 921153986 /nfs/dbraw/zinc/15/39/86/921153986.db2.gz LTAJNSUVKRHXMQ-KFWWJZLASA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)C1 ZINC001337016101 921153989 /nfs/dbraw/zinc/15/39/89/921153989.db2.gz LTAJNSUVKRHXMQ-KFWWJZLASA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001492442385 907905159 /nfs/dbraw/zinc/90/51/59/907905159.db2.gz YHSNAAJCWWQMRL-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001492442385 907905173 /nfs/dbraw/zinc/90/51/73/907905173.db2.gz YHSNAAJCWWQMRL-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+](CC)CCCNC(=O)Cn1cc[nH+]c1C ZINC001316909048 908832691 /nfs/dbraw/zinc/83/26/91/908832691.db2.gz LBHLQDWMKWPXPW-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP C#CC[N@@H+](CC)CCCNC(=O)Cn1cc[nH+]c1C ZINC001316909048 908832705 /nfs/dbraw/zinc/83/27/05/908832705.db2.gz LBHLQDWMKWPXPW-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317327888 909144880 /nfs/dbraw/zinc/14/48/80/909144880.db2.gz YDXXBWCSTFVIHC-LBPRGKRZSA-N 2 1 292.383 0.974 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001317335673 909147589 /nfs/dbraw/zinc/14/75/89/909147589.db2.gz FKYJXNKZTHVYBM-CABCVRRESA-N 2 1 277.412 0.790 20 30 CCEDMP C=CCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001317471451 909251323 /nfs/dbraw/zinc/25/13/23/909251323.db2.gz HZRIYSCQZUVVDC-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001317471451 909251334 /nfs/dbraw/zinc/25/13/34/909251334.db2.gz HZRIYSCQZUVVDC-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001317471451 909251351 /nfs/dbraw/zinc/25/13/51/909251351.db2.gz HZRIYSCQZUVVDC-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001317471451 909251364 /nfs/dbraw/zinc/25/13/64/909251364.db2.gz HZRIYSCQZUVVDC-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C#CCC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317654896 909445899 /nfs/dbraw/zinc/44/58/99/909445899.db2.gz LJTYDSWCUWNDMI-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC ZINC001319196131 910029393 /nfs/dbraw/zinc/02/93/93/910029393.db2.gz LEIRVCUOHKSJLK-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC ZINC001319196131 910029407 /nfs/dbraw/zinc/02/94/07/910029407.db2.gz LEIRVCUOHKSJLK-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001319902039 910341020 /nfs/dbraw/zinc/34/10/20/910341020.db2.gz CVYNHEJIGLTSCO-KBPBESRZSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001320043347 910435307 /nfs/dbraw/zinc/43/53/07/910435307.db2.gz TVGFSFINJNAGHF-UHFFFAOYSA-N 2 1 265.401 0.742 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001320226659 910540216 /nfs/dbraw/zinc/54/02/16/910540216.db2.gz DPLPCRZMFPBIJF-KBPBESRZSA-N 2 1 283.416 0.504 20 30 CCEDMP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320640663 910773767 /nfs/dbraw/zinc/77/37/67/910773767.db2.gz SWVOHRBLVSYFRZ-KGLIPLIRSA-N 2 1 281.400 0.072 20 30 CCEDMP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001329408755 915890791 /nfs/dbraw/zinc/89/07/91/915890791.db2.gz JPZZIHGDRNELON-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001329408755 915890805 /nfs/dbraw/zinc/89/08/05/915890805.db2.gz JPZZIHGDRNELON-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001329408755 915890816 /nfs/dbraw/zinc/89/08/16/915890816.db2.gz JPZZIHGDRNELON-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001329408755 915890828 /nfs/dbraw/zinc/89/08/28/915890828.db2.gz JPZZIHGDRNELON-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001329459290 915934909 /nfs/dbraw/zinc/93/49/09/915934909.db2.gz ICTJFTKERFFNCU-ZDUSSCGKSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001329459290 915934919 /nfs/dbraw/zinc/93/49/19/915934919.db2.gz ICTJFTKERFFNCU-ZDUSSCGKSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001329459290 915934934 /nfs/dbraw/zinc/93/49/34/915934934.db2.gz ICTJFTKERFFNCU-ZDUSSCGKSA-N 2 1 265.401 0.931 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001329514108 915976396 /nfs/dbraw/zinc/97/63/96/915976396.db2.gz AIGHMZGZDXXGJR-CQSZACIVSA-N 2 1 295.427 0.415 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401575830 916327155 /nfs/dbraw/zinc/32/71/55/916327155.db2.gz GJHGMBAHBNFEKB-VXGBXAGGSA-N 2 1 289.807 0.147 20 30 CCEDMP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001330422512 916621524 /nfs/dbraw/zinc/62/15/24/916621524.db2.gz CSNJTIQRWYUCFI-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001331560404 917417807 /nfs/dbraw/zinc/41/78/07/917417807.db2.gz KQVBFPWKARRNDK-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001331599458 917442304 /nfs/dbraw/zinc/44/23/04/917442304.db2.gz XJMRHZJYFVNZCV-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001331944476 917741245 /nfs/dbraw/zinc/74/12/45/917741245.db2.gz QNXTZEJOIPLVRR-CHWSQXEVSA-N 2 1 251.374 0.539 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC001335443006 920195898 /nfs/dbraw/zinc/19/58/98/920195898.db2.gz FAOFHULUKSSJJN-HIFRSBDPSA-N 2 1 292.427 0.982 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001335540090 920263086 /nfs/dbraw/zinc/26/30/86/920263086.db2.gz WQZCOVYSTPRUTR-DZGCQCFKSA-N 2 1 278.400 0.464 20 30 CCEDMP C[N@H+]1CCCN(CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001336752511 920981163 /nfs/dbraw/zinc/98/11/63/920981163.db2.gz XZHSVCFOMNSIOM-HNNXBMFYSA-N 2 1 294.443 0.658 20 30 CCEDMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]2C1 ZINC001342816218 923099259 /nfs/dbraw/zinc/09/92/59/923099259.db2.gz MIOYVUHURLIYPO-RNJOBUHISA-N 2 1 264.373 0.464 20 30 CCEDMP C[N@H+]1C[C@@H]2CN(C(=O)C#CC3CC[NH2+]CC3)C[C@]2(C)C1 ZINC001345393965 923872407 /nfs/dbraw/zinc/87/24/07/923872407.db2.gz XNISHEUTBMGUIH-ZBFHGGJFSA-N 2 1 275.396 0.400 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001346210582 924112833 /nfs/dbraw/zinc/11/28/33/924112833.db2.gz WBMWNJRNCRXXRZ-ZNMIVQPWSA-N 2 1 295.427 0.728 20 30 CCEDMP CNC(NCc1cccc(C[NH+]2CCN(C)CC2)c1)=[NH+]C ZINC001349911053 925093104 /nfs/dbraw/zinc/09/31/04/925093104.db2.gz JQCAVJNFUCBBRB-UHFFFAOYSA-N 2 1 289.427 0.729 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H](CC)[NH+](C)C ZINC001423267792 927777062 /nfs/dbraw/zinc/77/70/62/927777062.db2.gz ULGPBWSPIABARH-MNOVXSKESA-N 2 1 277.796 0.146 20 30 CCEDMP Cc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1C#N ZINC000600707652 362039373 /nfs/dbraw/zinc/03/93/73/362039373.db2.gz ZWATXXFUWARJJR-UHFFFAOYSA-N 2 1 286.379 0.730 20 30 CCEDMP Cc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1C#N ZINC000600707652 362039377 /nfs/dbraw/zinc/03/93/77/362039377.db2.gz ZWATXXFUWARJJR-UHFFFAOYSA-N 2 1 286.379 0.730 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)o1 ZINC000600768928 362057305 /nfs/dbraw/zinc/05/73/05/362057305.db2.gz LZWRKAKHOFIWNQ-NSHDSACASA-N 2 1 276.340 0.438 20 30 CCEDMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000602875767 362856390 /nfs/dbraw/zinc/85/63/90/362856390.db2.gz ADYDITNWXFOYNY-UKRRQHHQSA-N 2 1 283.416 0.676 20 30 CCEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000602875767 362856393 /nfs/dbraw/zinc/85/63/93/362856393.db2.gz ADYDITNWXFOYNY-UKRRQHHQSA-N 2 1 283.416 0.676 20 30 CCEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)C(C)C ZINC000165196992 350788678 /nfs/dbraw/zinc/78/86/78/350788678.db2.gz RPNNDQOBEVRXNZ-CABCVRRESA-N 2 1 295.427 0.790 20 30 CCEDMP C#CCNC(=O)[C@H](C)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000173900806 351061006 /nfs/dbraw/zinc/06/10/06/351061006.db2.gz GOILQCVCSLNCGO-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603430790 363130484 /nfs/dbraw/zinc/13/04/84/363130484.db2.gz CXVKPILFVCVJNP-IVZWLZJFSA-N 2 1 268.361 0.102 20 30 CCEDMP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000573123637 358940501 /nfs/dbraw/zinc/94/05/01/358940501.db2.gz LQOCYUQYHYGERC-VXGBXAGGSA-N 2 1 252.362 0.466 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594445912 360312490 /nfs/dbraw/zinc/31/24/90/360312490.db2.gz NJAOKURLLKZLCN-OLZOCXBDSA-N 2 1 266.389 0.998 20 30 CCEDMP C[N@H+]1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)CC1(C)C ZINC000598976985 361544761 /nfs/dbraw/zinc/54/47/61/361544761.db2.gz XSDIZCRJVXHVDX-LLVKDONJSA-N 2 1 262.361 0.612 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759691 375981874 /nfs/dbraw/zinc/98/18/74/375981874.db2.gz GSMXGLQGGAAINP-UHFFFAOYSA-N 2 1 251.374 0.706 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000296545226 389010372 /nfs/dbraw/zinc/01/03/72/389010372.db2.gz FIJMDHJGTJKNMR-AWEZNQCLSA-N 2 1 292.427 0.891 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000296545226 389010376 /nfs/dbraw/zinc/01/03/76/389010376.db2.gz FIJMDHJGTJKNMR-AWEZNQCLSA-N 2 1 292.427 0.891 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000296545226 389010379 /nfs/dbraw/zinc/01/03/79/389010379.db2.gz FIJMDHJGTJKNMR-AWEZNQCLSA-N 2 1 292.427 0.891 20 30 CCEDMP C[C@H]1C[N@@H+](CC#CC[NH+]2C[C@H](CO)[C@H](C)C2)C[C@H]1CO ZINC000342133589 389197458 /nfs/dbraw/zinc/19/74/58/389197458.db2.gz RGIZQDGPRHVBPC-GEEKYZPCSA-N 2 1 280.412 0.110 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NC[C@H]1CCOC1 ZINC000262848484 389295503 /nfs/dbraw/zinc/29/55/03/389295503.db2.gz WGAOCQUPPWMZQP-GFCCVEGCSA-N 2 1 265.361 0.393 20 30 CCEDMP CNC(NCc1ccc(C[NH+]2CCN(C)CC2)cc1)=[NH+]C ZINC000264064617 389303899 /nfs/dbraw/zinc/30/38/99/389303899.db2.gz DOJBAZRQTFWOOK-UHFFFAOYSA-N 2 1 289.427 0.729 20 30 CCEDMP Cn1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000267215606 389369058 /nfs/dbraw/zinc/36/90/58/389369058.db2.gz SVVJXLZUVWQCEH-UHFFFAOYSA-N 2 1 279.388 0.152 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430550331 389806972 /nfs/dbraw/zinc/80/69/72/389806972.db2.gz ZBWIFBGWFZOZDQ-NEPJUHHUSA-N 2 1 284.404 0.692 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430550331 389806973 /nfs/dbraw/zinc/80/69/73/389806973.db2.gz ZBWIFBGWFZOZDQ-NEPJUHHUSA-N 2 1 284.404 0.692 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@H+]2CCS[C@H](CC)C2)CC1 ZINC000490780285 390107924 /nfs/dbraw/zinc/10/79/24/390107924.db2.gz JDVHAYFQQZDIEM-CQSZACIVSA-N 2 1 295.452 0.591 20 30 CCEDMP C#CCN1CCN(C(=O)CN2CCS[C@H](CC)C2)CC1 ZINC000490780285 390107925 /nfs/dbraw/zinc/10/79/25/390107925.db2.gz JDVHAYFQQZDIEM-CQSZACIVSA-N 2 1 295.452 0.591 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000491767389 390116627 /nfs/dbraw/zinc/11/66/27/390116627.db2.gz IVCZXEHEJHFWEE-CQSZACIVSA-N 2 1 265.332 0.799 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000491767389 390116628 /nfs/dbraw/zinc/11/66/28/390116628.db2.gz IVCZXEHEJHFWEE-CQSZACIVSA-N 2 1 265.332 0.799 20 30 CCEDMP C=C[C@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658334511 413115947 /nfs/dbraw/zinc/11/59/47/413115947.db2.gz LCHNQMDNHZEAJP-OCCSQVGLSA-N 2 1 254.374 0.766 20 30 CCEDMP C=C[C@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658334512 413115989 /nfs/dbraw/zinc/11/59/89/413115989.db2.gz LCHNQMDNHZEAJP-TZMCWYRMSA-N 2 1 254.374 0.766 20 30 CCEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153806 414694038 /nfs/dbraw/zinc/69/40/38/414694038.db2.gz CIRMVPPZRJWPDY-CABCVRRESA-N 2 1 268.401 0.845 20 30 CCEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153806 414694039 /nfs/dbraw/zinc/69/40/39/414694039.db2.gz CIRMVPPZRJWPDY-CABCVRRESA-N 2 1 268.401 0.845 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CCC[NH2+]1 ZINC000662759615 414769096 /nfs/dbraw/zinc/76/90/96/414769096.db2.gz UNUNYNBFHQJWRI-DZGCQCFKSA-N 2 1 280.416 0.047 20 30 CCEDMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@H+]1C ZINC000329809031 545026816 /nfs/dbraw/zinc/02/68/16/545026816.db2.gz PSZVEGCRXXVESM-MGPQQGTHSA-N 2 1 297.447 0.219 20 30 CCEDMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[NH+]1C ZINC000329809031 545026820 /nfs/dbraw/zinc/02/68/20/545026820.db2.gz PSZVEGCRXXVESM-MGPQQGTHSA-N 2 1 297.447 0.219 20 30 CCEDMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC[NH+]1C ZINC000329809031 545026822 /nfs/dbraw/zinc/02/68/22/545026822.db2.gz PSZVEGCRXXVESM-MGPQQGTHSA-N 2 1 297.447 0.219 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000490778802 261207791 /nfs/dbraw/zinc/20/77/91/261207791.db2.gz LPBRGYSVUVLRPA-GJZGRUSLSA-N 2 1 295.427 0.557 20 30 CCEDMP CNC(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)=[NH+]C ZINC000272883393 263009662 /nfs/dbraw/zinc/00/96/62/263009662.db2.gz HXWCNMNRTPMFRD-AWEZNQCLSA-N 2 1 276.384 0.548 20 30 CCEDMP OCC[C@@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1CCO ZINC000342127118 263390429 /nfs/dbraw/zinc/39/04/29/263390429.db2.gz LPTSJIAZIJMBLE-HOTGVXAUSA-N 2 1 280.412 0.683 20 30 CCEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000570794513 327619938 /nfs/dbraw/zinc/61/99/38/327619938.db2.gz VVMOHBVYQAAOCG-UKRRQHHQSA-N 2 1 293.415 0.624 20 30 CCEDMP C[NH+]=C(NCc1nccn1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261752375 328141059 /nfs/dbraw/zinc/14/10/59/328141059.db2.gz LZDLHDSTVDXAGH-DGCLKSJQSA-N 2 1 290.415 0.568 20 30 CCEDMP C#CCNC(=[NH+]CC)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179083689 329204017 /nfs/dbraw/zinc/20/40/17/329204017.db2.gz UYPKIODSFOXWIW-AWEZNQCLSA-N 2 1 278.400 0.239 20 30 CCEDMP C[C@@H]1C[NH+]=C(NCc2ccc(C[NH+]3CCOCC3)cc2)N1 ZINC000262479597 330016705 /nfs/dbraw/zinc/01/67/05/330016705.db2.gz CSZXLDPZGXFTIW-CYBMUJFWSA-N 2 1 288.395 0.956 20 30 CCEDMP C[C@H]1CN(C(=[NH2+])NCC[N@H+]2CC=CCC2)CCO1 ZINC000262494298 330017613 /nfs/dbraw/zinc/01/76/13/330017613.db2.gz VZUGDPPFAXMLNZ-LBPRGKRZSA-N 2 1 252.362 0.284 20 30 CCEDMP C[C@H]1CN(C(=[NH2+])NCC[N@@H+]2CC=CCC2)CCO1 ZINC000262494298 330017615 /nfs/dbraw/zinc/01/76/15/330017615.db2.gz VZUGDPPFAXMLNZ-LBPRGKRZSA-N 2 1 252.362 0.284 20 30 CCEDMP C[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262820719 330033930 /nfs/dbraw/zinc/03/39/30/330033930.db2.gz YDJWWMHHMIFBNU-VXGBXAGGSA-N 2 1 280.416 0.692 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424146908 330293942 /nfs/dbraw/zinc/29/39/42/330293942.db2.gz QKEHJCIXNPBPAE-OLZOCXBDSA-N 2 1 266.389 0.950 20 30 CCEDMP C=CC[NH+](CC=C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429671899 330551939 /nfs/dbraw/zinc/55/19/39/330551939.db2.gz MDTHNBJELXTZHN-UHFFFAOYSA-N 2 1 251.374 0.825 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491069781 332145580 /nfs/dbraw/zinc/14/55/80/332145580.db2.gz YASBMNAPZDYCGK-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000491069781 332145582 /nfs/dbraw/zinc/14/55/82/332145582.db2.gz YASBMNAPZDYCGK-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCNC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000491069781 332145584 /nfs/dbraw/zinc/14/55/84/332145584.db2.gz YASBMNAPZDYCGK-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000491069781 332145585 /nfs/dbraw/zinc/14/55/85/332145585.db2.gz YASBMNAPZDYCGK-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000491694990 332290985 /nfs/dbraw/zinc/29/09/85/332290985.db2.gz WRTCYOSBVHPJKC-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)CCN1CC[NH+](CC)CC1 ZINC000491761887 332332097 /nfs/dbraw/zinc/33/20/97/332332097.db2.gz XVEKZRNDNFYMKS-UHFFFAOYSA-N 2 1 294.443 0.085 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)CC[NH+]1CCN(CC)CC1 ZINC000491761887 332332098 /nfs/dbraw/zinc/33/20/98/332332098.db2.gz XVEKZRNDNFYMKS-UHFFFAOYSA-N 2 1 294.443 0.085 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)CC[NH+]1CCN(CC)CC1 ZINC000491761887 332332099 /nfs/dbraw/zinc/33/20/99/332332099.db2.gz XVEKZRNDNFYMKS-UHFFFAOYSA-N 2 1 294.443 0.085 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000334785294 526506992 /nfs/dbraw/zinc/50/69/92/526506992.db2.gz NSFKFKMTIAGFSR-ZDUSSCGKSA-N 2 1 263.385 0.849 20 30 CCEDMP C=C(C)[C@H](CO)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000679319136 545406904 /nfs/dbraw/zinc/40/69/04/545406904.db2.gz ROHKMUVXUZICRF-AWEZNQCLSA-N 2 1 255.406 0.493 20 30 CCEDMP C[C@@H](CNC(=[NH2+])N(C)C1CC1)CN1CC[NH+](C)CC1 ZINC000305820084 649880687 /nfs/dbraw/zinc/88/06/87/649880687.db2.gz OIDODTAISYNVIV-LBPRGKRZSA-N 2 1 267.421 0.279 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC#N ZINC000787371861 581469335 /nfs/dbraw/zinc/46/93/35/581469335.db2.gz WDWOXILBWZRUHX-AWEZNQCLSA-N 2 1 295.431 0.958 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000742915656 581798378 /nfs/dbraw/zinc/79/83/78/581798378.db2.gz OHYOZIQQKVUBMO-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000742915656 581798381 /nfs/dbraw/zinc/79/83/81/581798381.db2.gz OHYOZIQQKVUBMO-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC)C1 ZINC000742915656 581798386 /nfs/dbraw/zinc/79/83/86/581798386.db2.gz OHYOZIQQKVUBMO-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC)C1 ZINC000742915656 581798388 /nfs/dbraw/zinc/79/83/88/581798388.db2.gz OHYOZIQQKVUBMO-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000981523837 612973432 /nfs/dbraw/zinc/97/34/32/612973432.db2.gz LGPIUFQIFRDNPB-KBPBESRZSA-N 2 1 274.368 0.842 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC000951608697 612990426 /nfs/dbraw/zinc/99/04/26/612990426.db2.gz JANQXLZTKYGIAU-UHFFFAOYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000813432022 613008962 /nfs/dbraw/zinc/00/89/62/613008962.db2.gz CYMWJMKNFKUFBZ-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978963878 613041444 /nfs/dbraw/zinc/04/14/44/613041444.db2.gz UBIZOQJQJJTJIG-QKDCVEJESA-N 2 1 287.407 0.400 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)C1CCC([NH3+])CC1 ZINC000841910504 613072928 /nfs/dbraw/zinc/07/29/28/613072928.db2.gz ROSXMHNIPJWVRY-UHFFFAOYSA-N 2 1 280.416 0.853 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000858494044 613075821 /nfs/dbraw/zinc/07/58/21/613075821.db2.gz LSYJEEMEXHVHFF-OAHLLOKOSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](OC)C1CCOCC1 ZINC000894863764 613078679 /nfs/dbraw/zinc/07/86/79/613078679.db2.gz RHTOFQIUDJDEQY-OAHLLOKOSA-N 2 1 268.401 0.973 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](OC)C1CCOCC1 ZINC000894863764 613078680 /nfs/dbraw/zinc/07/86/80/613078680.db2.gz RHTOFQIUDJDEQY-OAHLLOKOSA-N 2 1 268.401 0.973 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000981337819 613151715 /nfs/dbraw/zinc/15/17/15/613151715.db2.gz WHTNRMWMWLPHPJ-UHFFFAOYSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000981337819 613151716 /nfs/dbraw/zinc/15/17/16/613151716.db2.gz WHTNRMWMWLPHPJ-UHFFFAOYSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000981337819 613151717 /nfs/dbraw/zinc/15/17/17/613151717.db2.gz WHTNRMWMWLPHPJ-UHFFFAOYSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000981337819 613151718 /nfs/dbraw/zinc/15/17/18/613151718.db2.gz WHTNRMWMWLPHPJ-UHFFFAOYSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000923557030 613166639 /nfs/dbraw/zinc/16/66/39/613166639.db2.gz JOXRXDQUXKJMQP-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000923557030 613166641 /nfs/dbraw/zinc/16/66/41/613166641.db2.gz JOXRXDQUXKJMQP-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000923557030 613166642 /nfs/dbraw/zinc/16/66/42/613166642.db2.gz JOXRXDQUXKJMQP-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000923557030 613166645 /nfs/dbraw/zinc/16/66/45/613166645.db2.gz JOXRXDQUXKJMQP-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[C@H](C)[NH+](C)C)C1 ZINC000890364410 613169199 /nfs/dbraw/zinc/16/91/99/613169199.db2.gz ZOGVLPVHTKIZNM-UONOGXRCSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[C@H](C)[NH+](C)C)C1 ZINC000890364410 613169201 /nfs/dbraw/zinc/16/92/01/613169201.db2.gz ZOGVLPVHTKIZNM-UONOGXRCSA-N 2 1 280.416 0.723 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000814165460 613197230 /nfs/dbraw/zinc/19/72/30/613197230.db2.gz UFRQFLHQVMKOQA-GOEBONIOSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000814165460 613197231 /nfs/dbraw/zinc/19/72/31/613197231.db2.gz UFRQFLHQVMKOQA-GOEBONIOSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000814165460 613197232 /nfs/dbraw/zinc/19/72/32/613197232.db2.gz UFRQFLHQVMKOQA-GOEBONIOSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000814165460 613197233 /nfs/dbraw/zinc/19/72/33/613197233.db2.gz UFRQFLHQVMKOQA-GOEBONIOSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C(C)C)C1 ZINC000983902845 613201621 /nfs/dbraw/zinc/20/16/21/613201621.db2.gz YUVSIVKQPRWWTB-KKUMJFAQSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C(C)C)C1 ZINC000983902845 613201622 /nfs/dbraw/zinc/20/16/22/613201622.db2.gz YUVSIVKQPRWWTB-KKUMJFAQSA-N 2 1 277.412 0.977 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC)C[C@H]21 ZINC000960344361 613202463 /nfs/dbraw/zinc/20/24/63/613202463.db2.gz GUEMLQMGLNLNJN-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC)C[C@H]21 ZINC000960344361 613202464 /nfs/dbraw/zinc/20/24/64/613202464.db2.gz GUEMLQMGLNLNJN-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC)C[C@H]21 ZINC000960344361 613202466 /nfs/dbraw/zinc/20/24/66/613202466.db2.gz GUEMLQMGLNLNJN-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC)C[C@H]21 ZINC000960344361 613202468 /nfs/dbraw/zinc/20/24/68/613202468.db2.gz GUEMLQMGLNLNJN-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP C[NH+]=C(NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)NC1CC1 ZINC000849001167 613219579 /nfs/dbraw/zinc/21/95/79/613219579.db2.gz CXSGBZYJYZUSIE-CYBMUJFWSA-N 2 1 295.431 0.257 20 30 CCEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980893151 613253670 /nfs/dbraw/zinc/25/36/70/613253670.db2.gz GSCDKZVGCNTPSL-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893151 613253672 /nfs/dbraw/zinc/25/36/72/613253672.db2.gz GSCDKZVGCNTPSL-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980893151 613253673 /nfs/dbraw/zinc/25/36/73/613253673.db2.gz GSCDKZVGCNTPSL-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980893151 613253674 /nfs/dbraw/zinc/25/36/74/613253674.db2.gz GSCDKZVGCNTPSL-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC000978968035 613311892 /nfs/dbraw/zinc/31/18/92/613311892.db2.gz CSHNABQMKQYNCT-XMQYKBBCSA-N 2 1 298.390 0.688 20 30 CCEDMP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000950510590 613318309 /nfs/dbraw/zinc/31/83/09/613318309.db2.gz WFSAPEDUNBOJMW-ZIAGYGMSSA-N 2 1 265.401 0.904 20 30 CCEDMP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000950510590 613318311 /nfs/dbraw/zinc/31/83/11/613318311.db2.gz WFSAPEDUNBOJMW-ZIAGYGMSSA-N 2 1 265.401 0.904 20 30 CCEDMP C=C(C)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000950510587 613319487 /nfs/dbraw/zinc/31/94/87/613319487.db2.gz WFSAPEDUNBOJMW-KBPBESRZSA-N 2 1 265.401 0.904 20 30 CCEDMP C=C(C)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000950510587 613319489 /nfs/dbraw/zinc/31/94/89/613319489.db2.gz WFSAPEDUNBOJMW-KBPBESRZSA-N 2 1 265.401 0.904 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000962294019 613344489 /nfs/dbraw/zinc/34/44/89/613344489.db2.gz QBQGCXMQWIHRBJ-NYTXWWLZSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000962294019 613344490 /nfs/dbraw/zinc/34/44/90/613344490.db2.gz QBQGCXMQWIHRBJ-NYTXWWLZSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000962294019 613344491 /nfs/dbraw/zinc/34/44/91/613344491.db2.gz QBQGCXMQWIHRBJ-NYTXWWLZSA-N 2 1 277.412 0.951 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000907804472 613364493 /nfs/dbraw/zinc/36/44/93/613364493.db2.gz GKBJDTWHJOAEDD-BETUJISGSA-N 2 1 251.374 0.514 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000901331258 613364619 /nfs/dbraw/zinc/36/46/19/613364619.db2.gz RMLMRBLEXCRBLS-UHFFFAOYSA-N 2 1 251.374 0.872 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000900307616 613365078 /nfs/dbraw/zinc/36/50/78/613365078.db2.gz OLMPAFHMEYMWLK-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000876764293 613387973 /nfs/dbraw/zinc/38/79/73/613387973.db2.gz UIXVSOADBSLGNN-SNVBAGLBSA-N 2 1 285.779 0.572 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962575729 613563479 /nfs/dbraw/zinc/56/34/79/613563479.db2.gz JDJWWWFUWMPKNK-NHAGDIPZSA-N 2 1 274.368 0.814 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962575729 613563482 /nfs/dbraw/zinc/56/34/82/613563482.db2.gz JDJWWWFUWMPKNK-NHAGDIPZSA-N 2 1 274.368 0.814 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971205342 613617672 /nfs/dbraw/zinc/61/76/72/613617672.db2.gz USZXBVHZHQEWIR-CHWSQXEVSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000971205342 613617676 /nfs/dbraw/zinc/61/76/76/613617676.db2.gz USZXBVHZHQEWIR-CHWSQXEVSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000971205342 613617677 /nfs/dbraw/zinc/61/76/77/613617677.db2.gz USZXBVHZHQEWIR-CHWSQXEVSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972735820 613626705 /nfs/dbraw/zinc/62/67/05/613626705.db2.gz QNAMERPPKAVYCO-ZDUSSCGKSA-N 2 1 263.385 0.801 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000962758532 613635679 /nfs/dbraw/zinc/63/56/79/613635679.db2.gz WXAUPZUZYLTKRP-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC000962758532 613635681 /nfs/dbraw/zinc/63/56/81/613635681.db2.gz WXAUPZUZYLTKRP-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC000962758532 613635682 /nfs/dbraw/zinc/63/56/82/613635682.db2.gz WXAUPZUZYLTKRP-XUWVNRHRSA-N 2 1 289.423 0.931 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974761063 613808330 /nfs/dbraw/zinc/80/83/30/613808330.db2.gz YLKMOWBTBSFLDY-MGPQQGTHSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974761063 613808331 /nfs/dbraw/zinc/80/83/31/613808331.db2.gz YLKMOWBTBSFLDY-MGPQQGTHSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974761063 613808332 /nfs/dbraw/zinc/80/83/32/613808332.db2.gz YLKMOWBTBSFLDY-MGPQQGTHSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974761063 613808334 /nfs/dbraw/zinc/80/83/34/613808334.db2.gz YLKMOWBTBSFLDY-MGPQQGTHSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000962279797 613837576 /nfs/dbraw/zinc/83/75/76/613837576.db2.gz KKYVTUMXTATITA-CXTNEJHOSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000962279797 613837577 /nfs/dbraw/zinc/83/75/77/613837577.db2.gz KKYVTUMXTATITA-CXTNEJHOSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000962279797 613837578 /nfs/dbraw/zinc/83/75/78/613837578.db2.gz KKYVTUMXTATITA-CXTNEJHOSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000963653769 613858403 /nfs/dbraw/zinc/85/84/03/613858403.db2.gz PQAWTAKZTAKOCP-JNJRBNHSSA-N 2 1 293.411 0.520 20 30 CCEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000963653769 613858404 /nfs/dbraw/zinc/85/84/04/613858404.db2.gz PQAWTAKZTAKOCP-JNJRBNHSSA-N 2 1 293.411 0.520 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000968909322 613865109 /nfs/dbraw/zinc/86/51/09/613865109.db2.gz FNYIFJBEWHDRGT-KGLIPLIRSA-N 2 1 291.399 0.190 20 30 CCEDMP CC[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884175450 615148732 /nfs/dbraw/zinc/14/87/32/615148732.db2.gz UHZGGTQDVLRQCB-OWYJLGKBSA-N 2 1 276.384 0.290 20 30 CCEDMP CCOCCCNC(=[NH2+])NCC[N@@H+](CC)C1CC1 ZINC000104191624 615241589 /nfs/dbraw/zinc/24/15/89/615241589.db2.gz OMTSKFTVGBQINF-UHFFFAOYSA-N 2 1 256.394 0.802 20 30 CCEDMP CN(C)c1ncc(C=[NH+]NCCC[NH+]2CCOCC2)n1C ZINC000811647969 616035690 /nfs/dbraw/zinc/03/56/90/616035690.db2.gz HRHYTQLNKWYOFG-UHFFFAOYSA-N 2 1 294.403 0.132 20 30 CCEDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)NCCC#N)C2)CC1 ZINC000799178670 616177378 /nfs/dbraw/zinc/17/73/78/616177378.db2.gz CCJUSNSNHWZCLN-UHFFFAOYSA-N 2 1 278.400 0.824 20 30 CCEDMP C[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000877248491 616310429 /nfs/dbraw/zinc/31/04/29/616310429.db2.gz ACFRLGPUFYIJOF-CABCVRRESA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001026514501 625465185 /nfs/dbraw/zinc/46/51/85/625465185.db2.gz HFKNHHGVMBMCRY-XSCHDIRWSA-N 2 1 293.411 0.356 20 30 CCEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001026514501 625465195 /nfs/dbraw/zinc/46/51/95/625465195.db2.gz HFKNHHGVMBMCRY-XSCHDIRWSA-N 2 1 293.411 0.356 20 30 CCEDMP C#CC[NH2+]C1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001026528492 625466883 /nfs/dbraw/zinc/46/68/83/625466883.db2.gz LMSMNZLMJCHMME-UHFFFAOYSA-N 2 1 274.368 0.842 20 30 CCEDMP C#CC[NH2+]C1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001026560713 625472451 /nfs/dbraw/zinc/47/24/51/625472451.db2.gz CJFCYMUHSALVNL-NFOMZHRRSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024447604 623323128 /nfs/dbraw/zinc/32/31/28/623323128.db2.gz YNIHEJHKDYSROF-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024447604 623323133 /nfs/dbraw/zinc/32/31/33/623323133.db2.gz YNIHEJHKDYSROF-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024447604 623323139 /nfs/dbraw/zinc/32/31/39/623323139.db2.gz YNIHEJHKDYSROF-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000170908005 623813296 /nfs/dbraw/zinc/81/32/96/623813296.db2.gz ZGWIZVSUTQJJRY-CYBMUJFWSA-N 2 1 268.405 0.824 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000328097933 623856018 /nfs/dbraw/zinc/85/60/18/623856018.db2.gz KHRZPHPENWYAAE-UHFFFAOYSA-N 2 1 259.353 0.830 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000328097933 623856019 /nfs/dbraw/zinc/85/60/19/623856019.db2.gz KHRZPHPENWYAAE-UHFFFAOYSA-N 2 1 259.353 0.830 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020589975 624544419 /nfs/dbraw/zinc/54/44/19/624544419.db2.gz JCGNXJUOXORPKJ-AAVRWANBSA-N 2 1 265.401 0.997 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020591147 624544602 /nfs/dbraw/zinc/54/46/02/624544602.db2.gz GAIAJCWICXAIQP-CYDGBPFRSA-N 2 1 251.374 0.607 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001021073963 624656646 /nfs/dbraw/zinc/65/66/46/624656646.db2.gz GJYBKGWDUKPTGR-IHRRRGAJSA-N 2 1 281.400 0.520 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001021073963 624656647 /nfs/dbraw/zinc/65/66/47/624656647.db2.gz GJYBKGWDUKPTGR-IHRRRGAJSA-N 2 1 281.400 0.520 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001022278199 624909202 /nfs/dbraw/zinc/90/92/02/624909202.db2.gz HLIXXNIZMDQJIW-XGUBFFRZSA-N 2 1 275.396 0.873 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001027443810 625885794 /nfs/dbraw/zinc/88/57/94/625885794.db2.gz OYBNRZYXNHYZEH-HUUCEWRRSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027462624 625895251 /nfs/dbraw/zinc/89/52/51/625895251.db2.gz AAMQDRDWROVHIW-ZIAGYGMSSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680341 630848657 /nfs/dbraw/zinc/84/86/57/630848657.db2.gz DBEJZIMNPIZZDY-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680341 630848663 /nfs/dbraw/zinc/84/86/63/630848663.db2.gz DBEJZIMNPIZZDY-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680341 630848668 /nfs/dbraw/zinc/84/86/68/630848668.db2.gz DBEJZIMNPIZZDY-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001007625271 650086701 /nfs/dbraw/zinc/08/67/01/650086701.db2.gz SDVYSHONKLEVCM-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001007625271 650086703 /nfs/dbraw/zinc/08/67/03/650086703.db2.gz SDVYSHONKLEVCM-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001007625271 650086705 /nfs/dbraw/zinc/08/67/05/650086705.db2.gz SDVYSHONKLEVCM-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007625271 650086706 /nfs/dbraw/zinc/08/67/06/650086706.db2.gz SDVYSHONKLEVCM-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)CCc2cncn2C)CC1 ZINC000989585083 633332777 /nfs/dbraw/zinc/33/27/77/633332777.db2.gz VJTJSMOMKOUOAA-UHFFFAOYSA-N 2 1 288.395 0.910 20 30 CCEDMP C[C@@H](C(=O)NCC#CC[NH+](C)C)[NH+]1CCSCC1 ZINC000913519702 636834351 /nfs/dbraw/zinc/83/43/51/636834351.db2.gz LHNAMEKZYOCFHO-LBPRGKRZSA-N 2 1 269.414 0.105 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015598578 637726366 /nfs/dbraw/zinc/72/63/66/637726366.db2.gz ASGWFFZEMCWMCK-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015598578 637726369 /nfs/dbraw/zinc/72/63/69/637726369.db2.gz ASGWFFZEMCWMCK-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015598578 637726374 /nfs/dbraw/zinc/72/63/74/637726374.db2.gz ASGWFFZEMCWMCK-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015598578 637726379 /nfs/dbraw/zinc/72/63/79/637726379.db2.gz ASGWFFZEMCWMCK-HUUCEWRRSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC000996415116 638817896 /nfs/dbraw/zinc/81/78/96/638817896.db2.gz SABYRFBEMDAKQZ-CQSZACIVSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996619361 638825061 /nfs/dbraw/zinc/82/50/61/638825061.db2.gz ZTYGMMRWILDDLX-OLZOCXBDSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997009135 638848440 /nfs/dbraw/zinc/84/84/40/638848440.db2.gz OZOWUFXXTZYTDG-GXTWGEPZSA-N 2 1 265.401 0.951 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014486069 650456011 /nfs/dbraw/zinc/45/60/11/650456011.db2.gz ZNEPVVYSGGNPBM-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014486069 650456013 /nfs/dbraw/zinc/45/60/13/650456013.db2.gz ZNEPVVYSGGNPBM-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014486069 650456015 /nfs/dbraw/zinc/45/60/15/650456015.db2.gz ZNEPVVYSGGNPBM-HZSPNIEDSA-N 2 1 263.385 0.540 20 30 CCEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000998985212 638952534 /nfs/dbraw/zinc/95/25/34/638952534.db2.gz WQUIHWOAWTYSAQ-XSCHDIRWSA-N 2 1 295.427 0.861 20 30 CCEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000998985212 638952536 /nfs/dbraw/zinc/95/25/36/638952536.db2.gz WQUIHWOAWTYSAQ-XSCHDIRWSA-N 2 1 295.427 0.861 20 30 CCEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001000920357 639195023 /nfs/dbraw/zinc/19/50/23/639195023.db2.gz UKBWQIGNZGLBOW-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002127544 639369619 /nfs/dbraw/zinc/36/96/19/639369619.db2.gz SEZQQUCEWNZOHM-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCO)CC1 ZINC001003057304 639501121 /nfs/dbraw/zinc/50/11/21/639501121.db2.gz XWSPBNGCMWTZEG-HNNXBMFYSA-N 2 1 293.411 0.047 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCO)CC1 ZINC001003057304 639501129 /nfs/dbraw/zinc/50/11/29/639501129.db2.gz XWSPBNGCMWTZEG-HNNXBMFYSA-N 2 1 293.411 0.047 20 30 CCEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479684 640158879 /nfs/dbraw/zinc/15/88/79/640158879.db2.gz RTCHUJUMQIJJAL-DZGCQCFKSA-N 2 1 289.379 0.969 20 30 CCEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923478669 640159277 /nfs/dbraw/zinc/15/92/77/640159277.db2.gz FZWZREAQJXBWFT-HUUCEWRRSA-N 2 1 289.379 0.969 20 30 CCEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000844194195 643177520 /nfs/dbraw/zinc/17/75/20/643177520.db2.gz BEUHNAUCRYXFRU-USZNOCQGSA-N 2 1 250.346 0.087 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001019032310 650931633 /nfs/dbraw/zinc/93/16/33/650931633.db2.gz PJADRBRGFMVCOD-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001019032310 650931634 /nfs/dbraw/zinc/93/16/34/650931634.db2.gz PJADRBRGFMVCOD-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001019800395 651006429 /nfs/dbraw/zinc/00/64/29/651006429.db2.gz IPQPQXIEWXIMGN-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001019800395 651006433 /nfs/dbraw/zinc/00/64/33/651006433.db2.gz IPQPQXIEWXIMGN-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP N#Cc1cc(F)ccc1N1CC[NH+](CCOCC[NH3+])CC1 ZINC000866703956 645578325 /nfs/dbraw/zinc/57/83/25/645578325.db2.gz QOFKPLHXYQGNHE-UHFFFAOYSA-N 2 1 292.358 0.795 20 30 CCEDMP C[C@H]1C(=NNC(=S)NCCC[NH+](C)C)CC[N@H+]1C ZINC000872351460 646249067 /nfs/dbraw/zinc/24/90/67/646249067.db2.gz FXXZUMVVZMRHKH-JTQLQIEISA-N 2 1 271.434 0.482 20 30 CCEDMP C[C@H]1C(=NNC(=S)NCCC[NH+](C)C)CC[N@@H+]1C ZINC000872351460 646249073 /nfs/dbraw/zinc/24/90/73/646249073.db2.gz FXXZUMVVZMRHKH-JTQLQIEISA-N 2 1 271.434 0.482 20 30 CCEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876801822 646669327 /nfs/dbraw/zinc/66/93/27/646669327.db2.gz JILDNGCRHXSZEZ-BZUAXINKSA-N 2 1 298.390 0.736 20 30 CCEDMP C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000303408244 649819023 /nfs/dbraw/zinc/81/90/23/649819023.db2.gz TUHHXXNHAVDTTI-ZYHUDNBSSA-N 2 1 254.378 0.552 20 30 CCEDMP C[NH+]=C(NC[C@H]1C[N@@H+](CC(C)C)CCO1)NC1CC1 ZINC000303409406 649819264 /nfs/dbraw/zinc/81/92/64/649819264.db2.gz VEKJJTLSXVRUEY-ZDUSSCGKSA-N 2 1 268.405 0.671 20 30 CCEDMP C[NH+]=C(NC[C@H](C)CN1CC[NH+](C)CC1)NC(C)(C)C ZINC000303470120 649821418 /nfs/dbraw/zinc/82/14/18/649821418.db2.gz IELNPIAQNSDLAJ-ZDUSSCGKSA-N 2 1 283.464 0.833 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[NH+](C2CC2)C1 ZINC000303872525 649826006 /nfs/dbraw/zinc/82/60/06/649826006.db2.gz CAQMJZTXVLOYBU-HIFRSBDPSA-N 3 1 293.459 0.859 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000303872525 649826007 /nfs/dbraw/zinc/82/60/07/649826007.db2.gz CAQMJZTXVLOYBU-HIFRSBDPSA-N 3 1 293.459 0.859 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000303872525 649826008 /nfs/dbraw/zinc/82/60/08/649826008.db2.gz CAQMJZTXVLOYBU-HIFRSBDPSA-N 3 1 293.459 0.859 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](C)C1 ZINC000304751634 649838122 /nfs/dbraw/zinc/83/81/22/649838122.db2.gz JMSODNBWLQWCHQ-KBPBESRZSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000304751634 649838123 /nfs/dbraw/zinc/83/81/23/649838123.db2.gz JMSODNBWLQWCHQ-KBPBESRZSA-N 3 1 281.448 0.717 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000304751634 649838125 /nfs/dbraw/zinc/83/81/25/649838125.db2.gz JMSODNBWLQWCHQ-KBPBESRZSA-N 3 1 281.448 0.717 20 30 CCEDMP CCN(CC)C(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304761266 649838758 /nfs/dbraw/zinc/83/87/58/649838758.db2.gz UDQZOEOOTUCKOR-LBPRGKRZSA-N 2 1 256.394 0.611 20 30 CCEDMP C=CC[NH+]1CCN(c2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC001165032225 721869308 /nfs/dbraw/zinc/86/93/08/721869308.db2.gz MJFJWPZKJYHGSA-UHFFFAOYSA-N 2 1 287.411 0.799 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCF)C1CC1 ZINC001266412271 790656366 /nfs/dbraw/zinc/65/63/66/790656366.db2.gz QEJPKXPWEDPDRV-CABCVRRESA-N 2 1 295.402 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCF)C1CC1 ZINC001266412271 790656372 /nfs/dbraw/zinc/65/63/72/790656372.db2.gz QEJPKXPWEDPDRV-CABCVRRESA-N 2 1 295.402 0.928 20 30 CCEDMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266939219 791374697 /nfs/dbraw/zinc/37/46/97/791374697.db2.gz COIXXAAAEARHPS-YNEHKIRRSA-N 2 1 253.390 0.997 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC#CC ZINC001266950122 791385068 /nfs/dbraw/zinc/38/50/68/791385068.db2.gz MQJLDWSDRLTTQU-KGLIPLIRSA-N 2 1 261.369 0.202 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC#CC ZINC001266950122 791385070 /nfs/dbraw/zinc/38/50/70/791385070.db2.gz MQJLDWSDRLTTQU-KGLIPLIRSA-N 2 1 261.369 0.202 20 30 CCEDMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC#CCOC ZINC001267233147 791713730 /nfs/dbraw/zinc/71/37/30/791713730.db2.gz RJEIFMKWWFJODZ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC#CCOC ZINC001267233147 791713734 /nfs/dbraw/zinc/71/37/34/791713734.db2.gz RJEIFMKWWFJODZ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)CC#CCOC ZINC001267233147 791713737 /nfs/dbraw/zinc/71/37/37/791713737.db2.gz RJEIFMKWWFJODZ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC#CCOC ZINC001267233147 791713742 /nfs/dbraw/zinc/71/37/42/791713742.db2.gz RJEIFMKWWFJODZ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CC[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267241735 793230196 /nfs/dbraw/zinc/23/01/96/793230196.db2.gz JELBCQWACVXDMU-CQSZACIVSA-N 2 1 265.401 0.952 20 30 CCEDMP N#Cc1c(F)cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1F ZINC001234985983 806331472 /nfs/dbraw/zinc/33/14/72/806331472.db2.gz HTXQAGMWPMLJNI-OAHLLOKOSA-N 2 1 292.333 0.974 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC#CCOC ZINC001277974799 806510181 /nfs/dbraw/zinc/51/01/81/806510181.db2.gz XLCREJWTHAIICQ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001278105838 806675248 /nfs/dbraw/zinc/67/52/48/806675248.db2.gz PTNHBHXLPABFMU-CHWSQXEVSA-N 2 1 269.389 0.114 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001120591015 798881373 /nfs/dbraw/zinc/88/13/73/798881373.db2.gz STBNWYVKKLPLLC-HNNXBMFYSA-N 2 1 277.412 0.838 20 30 CCEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001278227333 806780573 /nfs/dbraw/zinc/78/05/73/806780573.db2.gz YPOZBFACMRLPMD-LSDHHAIUSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001278227333 806780577 /nfs/dbraw/zinc/78/05/77/806780577.db2.gz YPOZBFACMRLPMD-LSDHHAIUSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149850074 800303349 /nfs/dbraw/zinc/30/33/49/800303349.db2.gz YLXKFCRBNHKVPM-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149850074 800303352 /nfs/dbraw/zinc/30/33/52/800303352.db2.gz YLXKFCRBNHKVPM-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149850074 800303363 /nfs/dbraw/zinc/30/33/63/800303363.db2.gz YLXKFCRBNHKVPM-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001150319100 800330897 /nfs/dbraw/zinc/33/08/97/800330897.db2.gz XWCOZCCXKIWLQH-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001150319100 800330900 /nfs/dbraw/zinc/33/09/00/800330900.db2.gz XWCOZCCXKIWLQH-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001150319100 800330906 /nfs/dbraw/zinc/33/09/06/800330906.db2.gz XWCOZCCXKIWLQH-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001150319100 800330913 /nfs/dbraw/zinc/33/09/13/800330913.db2.gz XWCOZCCXKIWLQH-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152149192 800494953 /nfs/dbraw/zinc/49/49/53/800494953.db2.gz WFGMMITYPVKANF-OKILXGFUSA-N 2 1 281.400 0.215 20 30 CCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152391850 800517217 /nfs/dbraw/zinc/51/72/17/800517217.db2.gz GVEZCCXXOYFOQI-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CCc1cnc[nH]1 ZINC001153787932 800666492 /nfs/dbraw/zinc/66/64/92/800666492.db2.gz MYSDPCHFYGDSNQ-GFCCVEGCSA-N 2 1 262.357 0.802 20 30 CCEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)CCc1cnc[nH]1 ZINC001153787932 800666498 /nfs/dbraw/zinc/66/64/98/800666498.db2.gz MYSDPCHFYGDSNQ-GFCCVEGCSA-N 2 1 262.357 0.802 20 30 CCEDMP N#Cc1ncc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)nc1C#N ZINC001155381998 800962130 /nfs/dbraw/zinc/96/21/30/800962130.db2.gz JTXLVSZUYPKNKT-GFCCVEGCSA-N 2 1 297.366 0.079 20 30 CCEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001159629583 801839629 /nfs/dbraw/zinc/83/96/29/801839629.db2.gz ZQWZUTIBNRTZGB-HNNXBMFYSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159629583 801839635 /nfs/dbraw/zinc/83/96/35/801839635.db2.gz ZQWZUTIBNRTZGB-HNNXBMFYSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159629583 801839640 /nfs/dbraw/zinc/83/96/40/801839640.db2.gz ZQWZUTIBNRTZGB-HNNXBMFYSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001159926073 801889044 /nfs/dbraw/zinc/88/90/44/801889044.db2.gz ZULFTOWGCKQMMZ-GFCCVEGCSA-N 2 1 260.341 0.490 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997786 801897011 /nfs/dbraw/zinc/89/70/11/801897011.db2.gz YFEVBCDNNJBULQ-UHFFFAOYSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)COC ZINC001160209219 801920980 /nfs/dbraw/zinc/92/09/80/801920980.db2.gz DOOVDWPGCCSOOJ-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)COC ZINC001160209219 801920987 /nfs/dbraw/zinc/92/09/87/801920987.db2.gz DOOVDWPGCCSOOJ-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160461142 801944351 /nfs/dbraw/zinc/94/43/51/801944351.db2.gz KKDQCRHBJBBFDS-HIFRSBDPSA-N 2 1 263.385 0.814 20 30 CCEDMP Cc1nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)cnc1C#N ZINC001160512699 801955822 /nfs/dbraw/zinc/95/58/22/801955822.db2.gz DQDBLIUPKISPHL-AWEZNQCLSA-N 2 1 272.356 0.492 20 30 CCEDMP Cc1cc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)nc(C#N)n1 ZINC001160512903 801955965 /nfs/dbraw/zinc/95/59/65/801955965.db2.gz FUKLRVDILLKGOB-AWEZNQCLSA-N 2 1 272.356 0.492 20 30 CCEDMP N#Cc1c[nH]c2nc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)ncc12 ZINC001160513519 801956816 /nfs/dbraw/zinc/95/68/16/801956816.db2.gz OTIAKFLDYQMVAW-HNNXBMFYSA-N 2 1 297.366 0.665 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N(c1cccc(C)n1)C1CC[NH2+]CC1 ZINC001161302094 802121843 /nfs/dbraw/zinc/12/18/43/802121843.db2.gz GLXTWICIJUCFOV-INIZCTEOSA-N 2 1 286.379 0.826 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001165272434 802809578 /nfs/dbraw/zinc/80/95/78/802809578.db2.gz USBIJVNWTHRCNA-ZDUSSCGKSA-N 2 1 274.368 0.483 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c1 ZINC001205241553 803128950 /nfs/dbraw/zinc/12/89/50/803128950.db2.gz SSZFMSVPBGNJRO-HNNXBMFYSA-N 2 1 275.352 0.940 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c1 ZINC001205241553 803128951 /nfs/dbraw/zinc/12/89/51/803128951.db2.gz SSZFMSVPBGNJRO-HNNXBMFYSA-N 2 1 275.352 0.940 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205680822 803154918 /nfs/dbraw/zinc/15/49/18/803154918.db2.gz BMEYVBMNCKHKHV-AWEZNQCLSA-N 2 1 260.341 0.629 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205680822 803154920 /nfs/dbraw/zinc/15/49/20/803154920.db2.gz BMEYVBMNCKHKHV-AWEZNQCLSA-N 2 1 260.341 0.629 20 30 CCEDMP C#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1OC ZINC001206468327 803248447 /nfs/dbraw/zinc/24/84/47/803248447.db2.gz GZFADANSGXYZST-UONOGXRCSA-N 2 1 290.363 0.459 20 30 CCEDMP C#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1OC ZINC001206468327 803248454 /nfs/dbraw/zinc/24/84/54/803248454.db2.gz GZFADANSGXYZST-UONOGXRCSA-N 2 1 290.363 0.459 20 30 CCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001206940505 803314666 /nfs/dbraw/zinc/31/46/66/803314666.db2.gz XHDYWRFFCFVXNX-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206940505 803314671 /nfs/dbraw/zinc/31/46/71/803314671.db2.gz XHDYWRFFCFVXNX-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211054077 803666448 /nfs/dbraw/zinc/66/64/48/803666448.db2.gz HTMLCMUYQZHUNG-RBSFLKMASA-N 2 1 295.427 0.577 20 30 CCEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211091217 803667394 /nfs/dbraw/zinc/66/73/94/803667394.db2.gz MUEIVTWFOZEWEZ-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213751925 803702463 /nfs/dbraw/zinc/70/24/63/803702463.db2.gz TWSWOUFMMMQVTK-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213751925 803702465 /nfs/dbraw/zinc/70/24/65/803702465.db2.gz TWSWOUFMMMQVTK-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213930002 803706070 /nfs/dbraw/zinc/70/60/70/803706070.db2.gz VNJFZWQPMNLITO-ZIAGYGMSSA-N 2 1 281.400 0.165 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213930002 803706073 /nfs/dbraw/zinc/70/60/73/803706073.db2.gz VNJFZWQPMNLITO-ZIAGYGMSSA-N 2 1 281.400 0.165 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213930002 803706075 /nfs/dbraw/zinc/70/60/75/803706075.db2.gz VNJFZWQPMNLITO-ZIAGYGMSSA-N 2 1 281.400 0.165 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213930002 803706080 /nfs/dbraw/zinc/70/60/80/803706080.db2.gz VNJFZWQPMNLITO-ZIAGYGMSSA-N 2 1 281.400 0.165 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215541251 803818358 /nfs/dbraw/zinc/81/83/58/803818358.db2.gz WNLYVGVANUBWON-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216226370 803836396 /nfs/dbraw/zinc/83/63/96/803836396.db2.gz UIIUAGVRSAMLRZ-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830247 804429179 /nfs/dbraw/zinc/42/91/79/804429179.db2.gz SUMHOIGHBRKCTJ-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830247 804429184 /nfs/dbraw/zinc/42/91/84/804429184.db2.gz SUMHOIGHBRKCTJ-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830247 804429186 /nfs/dbraw/zinc/42/91/86/804429186.db2.gz SUMHOIGHBRKCTJ-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220072142 804494748 /nfs/dbraw/zinc/49/47/48/804494748.db2.gz HGYLTHGKICSQNX-KGLIPLIRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220072142 804494752 /nfs/dbraw/zinc/49/47/52/804494752.db2.gz HGYLTHGKICSQNX-KGLIPLIRSA-N 2 1 295.427 0.598 20 30 CCEDMP CC1(C)CC(=O)C=C(NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001220414312 804599532 /nfs/dbraw/zinc/59/95/32/804599532.db2.gz YRWIIOGUOOKXFM-UHFFFAOYSA-N 2 1 279.384 0.717 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220868430 804684487 /nfs/dbraw/zinc/68/44/87/804684487.db2.gz JFMKHSWRXOJQKS-UONOGXRCSA-N 3 1 280.416 0.080 20 30 CCEDMP C=CCN1CCC[C@H]1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220868430 804684492 /nfs/dbraw/zinc/68/44/92/804684492.db2.gz JFMKHSWRXOJQKS-UONOGXRCSA-N 2 1 280.416 0.080 20 30 CCEDMP CC#CC[NH+]1CCC(CNC(=O)Cc2cnc[nH]2)CC1 ZINC001224673154 805068541 /nfs/dbraw/zinc/06/85/41/805068541.db2.gz SGWMWDHYPXRDCY-UHFFFAOYSA-N 2 1 274.368 0.804 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225167868 805111919 /nfs/dbraw/zinc/11/19/19/805111919.db2.gz DNQQFYJNINWANI-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001075940182 815064227 /nfs/dbraw/zinc/06/42/27/815064227.db2.gz BPOJOLXHTCGMLZ-BFHYXJOUSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001075940182 815064231 /nfs/dbraw/zinc/06/42/31/815064231.db2.gz BPOJOLXHTCGMLZ-BFHYXJOUSA-N 2 1 263.385 0.493 20 30 CCEDMP CC#CC[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001277423473 805559794 /nfs/dbraw/zinc/55/97/94/805559794.db2.gz QAAYVZQLKKVTOJ-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246034698 807128506 /nfs/dbraw/zinc/12/85/06/807128506.db2.gz XULGMPLAOKCBLV-KGLIPLIRSA-N 2 1 252.358 0.215 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246034698 807128510 /nfs/dbraw/zinc/12/85/10/807128510.db2.gz XULGMPLAOKCBLV-KGLIPLIRSA-N 2 1 252.358 0.215 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001278437566 807195700 /nfs/dbraw/zinc/19/57/00/807195700.db2.gz FTLIIYKOKMDAEO-GOEBONIOSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001278437566 807195702 /nfs/dbraw/zinc/19/57/02/807195702.db2.gz FTLIIYKOKMDAEO-GOEBONIOSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278437566 807195705 /nfs/dbraw/zinc/19/57/05/807195705.db2.gz FTLIIYKOKMDAEO-GOEBONIOSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001278582631 807605200 /nfs/dbraw/zinc/60/52/00/807605200.db2.gz NJSGOHDOORWPQI-GOEBONIOSA-N 2 1 277.412 0.790 20 30 CCEDMP C=CCC[C@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252603334 807918657 /nfs/dbraw/zinc/91/86/57/807918657.db2.gz SXSNXRIDDFUIBZ-AWEZNQCLSA-N 2 1 283.416 0.409 20 30 CCEDMP C=C(C)C(=O)OCC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253405241 808060067 /nfs/dbraw/zinc/06/00/67/808060067.db2.gz SMOUTHMTZIBBND-NSHDSACASA-N 2 1 258.362 0.444 20 30 CCEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)CN1CC[NH+](C)CC1 ZINC001261458524 808983532 /nfs/dbraw/zinc/98/35/32/808983532.db2.gz BRDHCTTWKXCYSV-KBPBESRZSA-N 2 1 295.431 0.007 20 30 CCEDMP C#CCNCC(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC001263101230 809442635 /nfs/dbraw/zinc/44/26/35/809442635.db2.gz MHPIOPHBQSKTRG-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[NH2+]CC(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC001263101230 809442642 /nfs/dbraw/zinc/44/26/42/809442642.db2.gz MHPIOPHBQSKTRG-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[NH2+]CC(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC001263101230 809442644 /nfs/dbraw/zinc/44/26/44/809442644.db2.gz MHPIOPHBQSKTRG-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264077092 809628306 /nfs/dbraw/zinc/62/83/06/809628306.db2.gz SPIOWFWFQZCELE-LSDHHAIUSA-N 2 1 295.427 0.245 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264650284 809668087 /nfs/dbraw/zinc/66/80/87/809668087.db2.gz LBPZZEGUDGRIIL-KGLIPLIRSA-N 2 1 263.385 0.352 20 30 CCEDMP C=CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001265254282 809732598 /nfs/dbraw/zinc/73/25/98/809732598.db2.gz FVJIEZYIRVUUGW-OAHLLOKOSA-N 2 1 294.443 0.248 20 30 CCEDMP C=CC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001265254282 809732605 /nfs/dbraw/zinc/73/26/05/809732605.db2.gz FVJIEZYIRVUUGW-OAHLLOKOSA-N 2 1 294.443 0.248 20 30 CCEDMP C=CC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001265254282 809732608 /nfs/dbraw/zinc/73/26/08/809732608.db2.gz FVJIEZYIRVUUGW-OAHLLOKOSA-N 2 1 294.443 0.248 20 30 CCEDMP CC#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001265358325 809764226 /nfs/dbraw/zinc/76/42/26/809764226.db2.gz GULFCRRXWLXXKO-HNNXBMFYSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001265481450 809788685 /nfs/dbraw/zinc/78/86/85/809788685.db2.gz JYFNQPYTYLRWTB-JOCQHMNTSA-N 2 1 263.385 0.731 20 30 CCEDMP C#CCC[NH2+][C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001265846467 809874107 /nfs/dbraw/zinc/87/41/07/809874107.db2.gz OHYWPWIWBOTOPW-CYBMUJFWSA-N 2 1 297.362 0.999 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266005145 809916467 /nfs/dbraw/zinc/91/64/67/809916467.db2.gz RZUJDLIMRJJORY-QWHCGFSZSA-N 2 1 251.374 0.705 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267307233 811127814 /nfs/dbraw/zinc/12/78/14/811127814.db2.gz OMRSXASEWWSOED-ZIAGYGMSSA-N 2 1 265.401 0.644 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001076985845 815429250 /nfs/dbraw/zinc/42/92/50/815429250.db2.gz AJQIYPVBSADFAN-RBSFLKMASA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076985845 815429254 /nfs/dbraw/zinc/42/92/54/815429254.db2.gz AJQIYPVBSADFAN-RBSFLKMASA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001076985845 815429259 /nfs/dbraw/zinc/42/92/59/815429259.db2.gz AJQIYPVBSADFAN-RBSFLKMASA-N 2 1 295.427 0.597 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001076985845 815429262 /nfs/dbraw/zinc/42/92/62/815429262.db2.gz AJQIYPVBSADFAN-RBSFLKMASA-N 2 1 295.427 0.597 20 30 CCEDMP C=CCCC[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267666671 811633378 /nfs/dbraw/zinc/63/33/78/811633378.db2.gz IUUDITGHBHZASQ-UHFFFAOYSA-N 2 1 263.385 0.849 20 30 CCEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001267864329 811843721 /nfs/dbraw/zinc/84/37/21/811843721.db2.gz BJSCJULGZVXZCF-XJKSGUPXSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267970387 811905596 /nfs/dbraw/zinc/90/55/96/811905596.db2.gz PZCSWVTWESESQU-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000709482046 811907627 /nfs/dbraw/zinc/90/76/27/811907627.db2.gz LIXYGVOPRSXGTR-AVGNSLFASA-N 2 1 264.373 0.751 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001268193508 812354382 /nfs/dbraw/zinc/35/43/82/812354382.db2.gz NATLMANIJUSFFV-KBPBESRZSA-N 2 1 283.391 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001268193508 812354394 /nfs/dbraw/zinc/35/43/94/812354394.db2.gz NATLMANIJUSFFV-KBPBESRZSA-N 2 1 283.391 0.880 20 30 CCEDMP COc1nc(C)nc(NC(=[NH2+])NCCCC[NH3+])c1C#N ZINC001167877527 812373996 /nfs/dbraw/zinc/37/39/96/812373996.db2.gz FEIZZZZKZMHXEC-UHFFFAOYSA-N 2 1 277.332 0.340 20 30 CCEDMP CC#CC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001279308087 812448941 /nfs/dbraw/zinc/44/89/41/812448941.db2.gz QSUXBBAAPPJDCM-WLYUNCDWSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028550487 812831478 /nfs/dbraw/zinc/83/14/78/812831478.db2.gz PUMOQYVYUGXABN-HZSPNIEDSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028550487 812831489 /nfs/dbraw/zinc/83/14/89/812831489.db2.gz PUMOQYVYUGXABN-HZSPNIEDSA-N 2 1 263.385 0.398 20 30 CCEDMP CC#CC[NH2+]C/C=C/CNC(=O)CC[N@H+](C)CC ZINC001268613080 812947622 /nfs/dbraw/zinc/94/76/22/812947622.db2.gz YLNSVIMKZLRMJI-BQYQJAHWSA-N 2 1 251.374 0.614 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC001028603694 812964916 /nfs/dbraw/zinc/96/49/16/812964916.db2.gz HKYBSODVMQCKME-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC001028603694 812964925 /nfs/dbraw/zinc/96/49/25/812964925.db2.gz HKYBSODVMQCKME-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC)C1 ZINC001028603694 812964933 /nfs/dbraw/zinc/96/49/33/812964933.db2.gz HKYBSODVMQCKME-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC)C1 ZINC001028603694 812964941 /nfs/dbraw/zinc/96/49/41/812964941.db2.gz HKYBSODVMQCKME-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001028636181 813072390 /nfs/dbraw/zinc/07/23/90/813072390.db2.gz LLTDIFIDIWKSPD-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028636181 813072399 /nfs/dbraw/zinc/07/23/99/813072399.db2.gz LLTDIFIDIWKSPD-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028636181 813072410 /nfs/dbraw/zinc/07/24/10/813072410.db2.gz LLTDIFIDIWKSPD-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001028636848 813074734 /nfs/dbraw/zinc/07/47/34/813074734.db2.gz ROULNWRYDGAQIG-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028636848 813074739 /nfs/dbraw/zinc/07/47/39/813074739.db2.gz ROULNWRYDGAQIG-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028636848 813074748 /nfs/dbraw/zinc/07/47/48/813074748.db2.gz ROULNWRYDGAQIG-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268822139 813102381 /nfs/dbraw/zinc/10/23/81/813102381.db2.gz KVSWDSAKECBSJI-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001269383059 813351041 /nfs/dbraw/zinc/35/10/41/813351041.db2.gz GPODYSBMRPPDDQ-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001269383059 813351048 /nfs/dbraw/zinc/35/10/48/813351048.db2.gz GPODYSBMRPPDDQ-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CCC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001269429036 813367713 /nfs/dbraw/zinc/36/77/13/813367713.db2.gz YCNUODRJNJGNRR-UHFFFAOYSA-N 2 1 263.385 0.732 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001270691752 813896586 /nfs/dbraw/zinc/89/65/86/813896586.db2.gz MBXZHASLQNYIMJ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001270691752 813896597 /nfs/dbraw/zinc/89/65/97/813896597.db2.gz MBXZHASLQNYIMJ-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001271146943 814208587 /nfs/dbraw/zinc/20/85/87/814208587.db2.gz YVTIRBADVSDSTA-FMKPAKJESA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001271146943 814208590 /nfs/dbraw/zinc/20/85/90/814208590.db2.gz YVTIRBADVSDSTA-FMKPAKJESA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001271146943 814208592 /nfs/dbraw/zinc/20/85/92/814208592.db2.gz YVTIRBADVSDSTA-FMKPAKJESA-N 2 1 295.427 0.456 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087828326 814226999 /nfs/dbraw/zinc/22/69/99/814226999.db2.gz IEMSCFNUUKBZFL-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087828326 814227005 /nfs/dbraw/zinc/22/70/05/814227005.db2.gz IEMSCFNUUKBZFL-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087828326 814227012 /nfs/dbraw/zinc/22/70/12/814227012.db2.gz IEMSCFNUUKBZFL-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001271185131 814327737 /nfs/dbraw/zinc/32/77/37/814327737.db2.gz SVWGNPZEIGQPAE-GDBMZVCRSA-N 2 1 297.443 0.702 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001271988537 814665706 /nfs/dbraw/zinc/66/57/06/814665706.db2.gz UYMKAWLLUCNYBD-GDBMZVCRSA-N 2 1 295.427 0.293 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001271988537 814665710 /nfs/dbraw/zinc/66/57/10/814665710.db2.gz UYMKAWLLUCNYBD-GDBMZVCRSA-N 2 1 295.427 0.293 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105973982 816031114 /nfs/dbraw/zinc/03/11/14/816031114.db2.gz IUEIGMDJZASPQD-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105973982 816031121 /nfs/dbraw/zinc/03/11/21/816031121.db2.gz IUEIGMDJZASPQD-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001089041046 816222347 /nfs/dbraw/zinc/22/23/47/816222347.db2.gz AEJDBHKANKSVCX-OCCSQVGLSA-N 2 1 274.368 0.794 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001089041046 816222353 /nfs/dbraw/zinc/22/23/53/816222353.db2.gz AEJDBHKANKSVCX-OCCSQVGLSA-N 2 1 274.368 0.794 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765431 817348412 /nfs/dbraw/zinc/34/84/12/817348412.db2.gz GGQSMHUKOZPOOP-TZMCWYRMSA-N 2 1 281.400 0.330 20 30 CCEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765431 817348420 /nfs/dbraw/zinc/34/84/20/817348420.db2.gz GGQSMHUKOZPOOP-TZMCWYRMSA-N 2 1 281.400 0.330 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033415908 818763699 /nfs/dbraw/zinc/76/36/99/818763699.db2.gz MJUBZTHPFFADIO-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033415908 818763702 /nfs/dbraw/zinc/76/37/02/818763702.db2.gz MJUBZTHPFFADIO-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033415908 818763706 /nfs/dbraw/zinc/76/37/06/818763706.db2.gz MJUBZTHPFFADIO-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033415908 818763710 /nfs/dbraw/zinc/76/37/10/818763710.db2.gz MJUBZTHPFFADIO-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033415775 818765372 /nfs/dbraw/zinc/76/53/72/818765372.db2.gz KRHLXDMFAQNAOA-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033415775 818765378 /nfs/dbraw/zinc/76/53/78/818765378.db2.gz KRHLXDMFAQNAOA-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415775 818765381 /nfs/dbraw/zinc/76/53/81/818765381.db2.gz KRHLXDMFAQNAOA-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033415775 818765384 /nfs/dbraw/zinc/76/53/84/818765384.db2.gz KRHLXDMFAQNAOA-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001033688872 818890453 /nfs/dbraw/zinc/89/04/53/818890453.db2.gz UPYJUZLWIGVKNG-OAHLLOKOSA-N 2 1 295.402 0.834 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC001033688872 818890457 /nfs/dbraw/zinc/89/04/57/818890457.db2.gz UPYJUZLWIGVKNG-OAHLLOKOSA-N 2 1 295.402 0.834 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001033788860 818936673 /nfs/dbraw/zinc/93/66/73/818936673.db2.gz KPENPZMAYOWZRV-CABCVRRESA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033831713 818962346 /nfs/dbraw/zinc/96/23/46/818962346.db2.gz XJLHPEJLWKDIOQ-HOTGVXAUSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034039093 819037176 /nfs/dbraw/zinc/03/71/76/819037176.db2.gz FYJPUAWFIVHKHE-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034039093 819037181 /nfs/dbraw/zinc/03/71/81/819037181.db2.gz FYJPUAWFIVHKHE-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034525238 819228444 /nfs/dbraw/zinc/22/84/44/819228444.db2.gz KPMORJYWQRQCEL-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525238 819228449 /nfs/dbraw/zinc/22/84/49/819228449.db2.gz KPMORJYWQRQCEL-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525238 819228456 /nfs/dbraw/zinc/22/84/56/819228456.db2.gz KPMORJYWQRQCEL-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001080442535 820577730 /nfs/dbraw/zinc/57/77/30/820577730.db2.gz DMLYPABDNXRBPT-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001080442535 820577735 /nfs/dbraw/zinc/57/77/35/820577735.db2.gz DMLYPABDNXRBPT-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001080442535 820577741 /nfs/dbraw/zinc/57/77/41/820577741.db2.gz DMLYPABDNXRBPT-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001080977182 820660104 /nfs/dbraw/zinc/66/01/04/820660104.db2.gz ZQBXTGGUKWALCF-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001080977182 820660106 /nfs/dbraw/zinc/66/01/06/820660106.db2.gz ZQBXTGGUKWALCF-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001080977182 820660112 /nfs/dbraw/zinc/66/01/12/820660112.db2.gz ZQBXTGGUKWALCF-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001080977182 820660116 /nfs/dbraw/zinc/66/01/16/820660116.db2.gz ZQBXTGGUKWALCF-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CCN1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082134076 820906328 /nfs/dbraw/zinc/90/63/28/820906328.db2.gz ZILGMJKPGOQNKE-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CCN1C[C@@H](NC(=O)CN2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082134076 820906333 /nfs/dbraw/zinc/90/63/33/820906333.db2.gz ZILGMJKPGOQNKE-RRFJBIMHSA-N 2 1 293.411 0.309 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082589443 821003409 /nfs/dbraw/zinc/00/34/09/821003409.db2.gz BECLLCHNKFNLFV-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082589443 821003417 /nfs/dbraw/zinc/00/34/17/821003417.db2.gz BECLLCHNKFNLFV-KBUPBQIOSA-N 2 1 295.427 0.718 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001279160273 821156534 /nfs/dbraw/zinc/15/65/34/821156534.db2.gz BWHYNNBGJVBKIT-GJZGRUSLSA-N 2 1 293.411 0.026 20 30 CCEDMP CCC[N@H+]1CCCC[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC001119595727 821384321 /nfs/dbraw/zinc/38/43/21/821384321.db2.gz DUDLCQWPURREQG-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001273365391 821978548 /nfs/dbraw/zinc/97/85/48/821978548.db2.gz GVKUMVQXAGLRDO-AWEZNQCLSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928317 822019885 /nfs/dbraw/zinc/01/98/85/822019885.db2.gz UETGFVDYSFYVLR-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928317 822019890 /nfs/dbraw/zinc/01/98/90/822019890.db2.gz UETGFVDYSFYVLR-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086271538 822182882 /nfs/dbraw/zinc/18/28/82/822182882.db2.gz CKCDPCNVUHUILR-UPJWGTAASA-N 2 1 251.374 0.609 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287191 822304974 /nfs/dbraw/zinc/30/49/74/822304974.db2.gz NTWLOPWDEUMPAW-MRXNPFEDSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287191 822304984 /nfs/dbraw/zinc/30/49/84/822304984.db2.gz NTWLOPWDEUMPAW-MRXNPFEDSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129421654 837503463 /nfs/dbraw/zinc/50/34/63/837503463.db2.gz BANGMVNBHBFHIY-CQSZACIVSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCCC ZINC001129771071 837559341 /nfs/dbraw/zinc/55/93/41/837559341.db2.gz QBEHLKLJYHPIAO-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCCC ZINC001129771071 837559349 /nfs/dbraw/zinc/55/93/49/837559349.db2.gz QBEHLKLJYHPIAO-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130188243 837717584 /nfs/dbraw/zinc/71/75/84/837717584.db2.gz BUUFMCRBVFZMRB-CABCVRRESA-N 2 1 295.427 0.912 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183581291 844046535 /nfs/dbraw/zinc/04/65/35/844046535.db2.gz HJSNZEOYBDYFCO-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183581291 844046538 /nfs/dbraw/zinc/04/65/38/844046538.db2.gz HJSNZEOYBDYFCO-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183764975 844085118 /nfs/dbraw/zinc/08/51/18/844085118.db2.gz LGQLJPSFMCHNFN-CYBMUJFWSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129362682 836523417 /nfs/dbraw/zinc/52/34/17/836523417.db2.gz BPXZMOOLJNLIJV-OAHLLOKOSA-N 2 1 295.427 0.912 20 30 CCEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277410 838352435 /nfs/dbraw/zinc/35/24/35/838352435.db2.gz GWGCPNCBPWRAHP-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132424313 838388777 /nfs/dbraw/zinc/38/87/77/838388777.db2.gz FBHFWEYAOPNXFG-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132436606 838398918 /nfs/dbraw/zinc/39/89/18/838398918.db2.gz MXYRJGRSELONHQ-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132436606 838398924 /nfs/dbraw/zinc/39/89/24/838398924.db2.gz MXYRJGRSELONHQ-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132436606 838398929 /nfs/dbraw/zinc/39/89/29/838398929.db2.gz MXYRJGRSELONHQ-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132436605 838399102 /nfs/dbraw/zinc/39/91/02/838399102.db2.gz MXYRJGRSELONHQ-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132436605 838399110 /nfs/dbraw/zinc/39/91/10/838399110.db2.gz MXYRJGRSELONHQ-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132436605 838399120 /nfs/dbraw/zinc/39/91/20/838399120.db2.gz MXYRJGRSELONHQ-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001132738063 838481342 /nfs/dbraw/zinc/48/13/42/838481342.db2.gz VATXHLQZWPYGAQ-CYBMUJFWSA-N 2 1 251.374 0.447 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185136840 844349828 /nfs/dbraw/zinc/34/98/28/844349828.db2.gz MVZCKHAHMHNKBP-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185136840 844349835 /nfs/dbraw/zinc/34/98/35/844349835.db2.gz MVZCKHAHMHNKBP-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570439 839012454 /nfs/dbraw/zinc/01/24/54/839012454.db2.gz PRYITYHAQPKFMP-UHFFFAOYSA-N 2 1 292.383 0.362 20 30 CCEDMP C#CC[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135892342 839455179 /nfs/dbraw/zinc/45/51/79/839455179.db2.gz GAFGXUYAJKCXBM-UHFFFAOYSA-N 2 1 269.308 0.220 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135979179 839487067 /nfs/dbraw/zinc/48/70/67/839487067.db2.gz DAHXSYSEJNNUPR-CABCVRRESA-N 2 1 297.443 0.851 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171228148 840156954 /nfs/dbraw/zinc/15/69/54/840156954.db2.gz SJYDCLXAHWJALB-CYBMUJFWSA-N 2 1 251.374 0.447 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879752 840324951 /nfs/dbraw/zinc/32/49/51/840324951.db2.gz OYOCCXMHKAKXAC-CABCVRRESA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879752 840324959 /nfs/dbraw/zinc/32/49/59/840324959.db2.gz OYOCCXMHKAKXAC-CABCVRRESA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879752 840324971 /nfs/dbraw/zinc/32/49/71/840324971.db2.gz OYOCCXMHKAKXAC-CABCVRRESA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148469638 840809943 /nfs/dbraw/zinc/80/99/43/840809943.db2.gz PNVNCRDBHFKLPB-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092272941 841003308 /nfs/dbraw/zinc/00/33/08/841003308.db2.gz JHBGHYUIBXAEME-INMHGKMJSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092272941 841003314 /nfs/dbraw/zinc/00/33/14/841003314.db2.gz JHBGHYUIBXAEME-INMHGKMJSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092509554 841030695 /nfs/dbraw/zinc/03/06/95/841030695.db2.gz DFTNASBKQQRJNE-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092509554 841030701 /nfs/dbraw/zinc/03/07/01/841030701.db2.gz DFTNASBKQQRJNE-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092509554 841030709 /nfs/dbraw/zinc/03/07/09/841030709.db2.gz DFTNASBKQQRJNE-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP CC1(C#N)CCC([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001173584594 842114017 /nfs/dbraw/zinc/11/40/17/842114017.db2.gz BSQZRRSMKLBNBQ-UHFFFAOYSA-N 2 1 283.416 0.725 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1C)C2 ZINC001095242685 842122602 /nfs/dbraw/zinc/12/26/02/842122602.db2.gz YQESYDHIVISLHQ-QPSCCSFWSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001095242685 842122606 /nfs/dbraw/zinc/12/26/06/842122606.db2.gz YQESYDHIVISLHQ-QPSCCSFWSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001095242685 842122609 /nfs/dbraw/zinc/12/26/09/842122609.db2.gz YQESYDHIVISLHQ-QPSCCSFWSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001095242685 842122615 /nfs/dbraw/zinc/12/26/15/842122615.db2.gz YQESYDHIVISLHQ-QPSCCSFWSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001095242685 842122626 /nfs/dbraw/zinc/12/26/26/842122626.db2.gz YQESYDHIVISLHQ-QPSCCSFWSA-N 2 1 275.396 0.825 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC001176133408 842323961 /nfs/dbraw/zinc/32/39/61/842323961.db2.gz PLFFIXVXKZMJHO-UHFFFAOYSA-N 2 1 250.346 0.864 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001183354186 844005284 /nfs/dbraw/zinc/00/52/84/844005284.db2.gz UOYUUYLSSLUJLS-CABCVRRESA-N 2 1 273.380 0.298 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001183354186 844005294 /nfs/dbraw/zinc/00/52/94/844005294.db2.gz UOYUUYLSSLUJLS-CABCVRRESA-N 2 1 273.380 0.298 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106424 844646166 /nfs/dbraw/zinc/64/61/66/844646166.db2.gz GVMRTBOCWMOALS-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187842389 844778425 /nfs/dbraw/zinc/77/84/25/844778425.db2.gz LXHCIYBTXHHCHZ-CQSZACIVSA-N 2 1 290.367 0.032 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189400932 845131263 /nfs/dbraw/zinc/13/12/63/845131263.db2.gz QONNSNJGQRZZCM-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189400932 845131266 /nfs/dbraw/zinc/13/12/66/845131266.db2.gz QONNSNJGQRZZCM-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189400932 845131271 /nfs/dbraw/zinc/13/12/71/845131271.db2.gz QONNSNJGQRZZCM-UONOGXRCSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189652721 845191011 /nfs/dbraw/zinc/19/10/11/845191011.db2.gz LGANNEMMVSNCLG-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189652721 845191013 /nfs/dbraw/zinc/19/10/13/845191013.db2.gz LGANNEMMVSNCLG-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189652721 845191017 /nfs/dbraw/zinc/19/10/17/845191017.db2.gz LGANNEMMVSNCLG-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190901118 845525729 /nfs/dbraw/zinc/52/57/29/845525729.db2.gz VIXIXIHMCMWNSV-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190901118 845525734 /nfs/dbraw/zinc/52/57/34/845525734.db2.gz VIXIXIHMCMWNSV-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901118 845525740 /nfs/dbraw/zinc/52/57/40/845525740.db2.gz VIXIXIHMCMWNSV-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901118 845525746 /nfs/dbraw/zinc/52/57/46/845525746.db2.gz VIXIXIHMCMWNSV-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487787 846091996 /nfs/dbraw/zinc/09/19/96/846091996.db2.gz FRAXDMQVDURKSN-CQSZACIVSA-N 2 1 281.400 0.121 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193791335 846153556 /nfs/dbraw/zinc/15/35/56/846153556.db2.gz JQURJRMEKAAAQP-MCIONIFRSA-N 2 1 281.400 0.064 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002767 846196206 /nfs/dbraw/zinc/19/62/06/846196206.db2.gz YUELTDQJPBZHKI-GJZGRUSLSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002767 846196212 /nfs/dbraw/zinc/19/62/12/846196212.db2.gz YUELTDQJPBZHKI-GJZGRUSLSA-N 2 1 293.411 0.121 20 30 CCEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002767 846196220 /nfs/dbraw/zinc/19/62/20/846196220.db2.gz YUELTDQJPBZHKI-GJZGRUSLSA-N 2 1 293.411 0.121 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677884 846596446 /nfs/dbraw/zinc/59/64/46/846596446.db2.gz WINUDRBIVIPVNS-ZIAGYGMSSA-N 2 1 295.427 0.456 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196942720 846822810 /nfs/dbraw/zinc/82/28/10/846822810.db2.gz HKGOCQVLIPFWGK-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196942720 846822817 /nfs/dbraw/zinc/82/28/17/846822817.db2.gz HKGOCQVLIPFWGK-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001197907977 847007097 /nfs/dbraw/zinc/00/70/97/847007097.db2.gz NASKTBJLTWNJOX-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001197907977 847007109 /nfs/dbraw/zinc/00/71/09/847007109.db2.gz NASKTBJLTWNJOX-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C[NH+](C)CCC)CC1 ZINC001197907977 847007115 /nfs/dbraw/zinc/00/71/15/847007115.db2.gz NASKTBJLTWNJOX-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C[NH+](C)CCC)CC1 ZINC001197907977 847007127 /nfs/dbraw/zinc/00/71/27/847007127.db2.gz NASKTBJLTWNJOX-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001198028773 847032890 /nfs/dbraw/zinc/03/28/90/847032890.db2.gz IOAODXCLWIHCBH-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198028773 847032896 /nfs/dbraw/zinc/03/28/96/847032896.db2.gz IOAODXCLWIHCBH-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198028773 847032902 /nfs/dbraw/zinc/03/29/02/847032902.db2.gz IOAODXCLWIHCBH-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111808 847233017 /nfs/dbraw/zinc/23/30/17/847233017.db2.gz NAJTZVADJWFSBY-RBSFLKMASA-N 2 1 297.443 0.843 20 30 CCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111808 847233023 /nfs/dbraw/zinc/23/30/23/847233023.db2.gz NAJTZVADJWFSBY-RBSFLKMASA-N 2 1 297.443 0.843 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111808 847233025 /nfs/dbraw/zinc/23/30/25/847233025.db2.gz NAJTZVADJWFSBY-RBSFLKMASA-N 2 1 297.443 0.843 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200122092 847552905 /nfs/dbraw/zinc/55/29/05/847552905.db2.gz BFLWFEMVNQBUSY-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200536267 847646384 /nfs/dbraw/zinc/64/63/84/847646384.db2.gz CEZZBMBTPIFHDG-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202067277 847853362 /nfs/dbraw/zinc/85/33/62/847853362.db2.gz CVKHYJGNTWXTRT-CQSZACIVSA-N 2 1 292.383 0.585 20 30 CCEDMP C#CC[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001274105174 848349984 /nfs/dbraw/zinc/34/99/84/848349984.db2.gz HEFBKANZQJNDJN-WSNITJDQSA-N 2 1 263.385 0.756 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750142 849386125 /nfs/dbraw/zinc/38/61/25/849386125.db2.gz BVLZNGNFRKGYAD-NHAGDIPZSA-N 2 1 263.385 0.398 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccnn1C ZINC000305870736 849520476 /nfs/dbraw/zinc/52/04/76/849520476.db2.gz VBDWERPYGCDVGD-CYBMUJFWSA-N 2 1 278.404 0.351 20 30 CCEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001038628589 849723014 /nfs/dbraw/zinc/72/30/14/849723014.db2.gz RMRPPWZZZOODCI-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038628589 849723024 /nfs/dbraw/zinc/72/30/24/849723024.db2.gz RMRPPWZZZOODCI-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038628589 849723033 /nfs/dbraw/zinc/72/30/33/849723033.db2.gz RMRPPWZZZOODCI-GJZGRUSLSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039471327 850196837 /nfs/dbraw/zinc/19/68/37/850196837.db2.gz SADJMDLRCDVDSV-CABCVRRESA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039471327 850196841 /nfs/dbraw/zinc/19/68/41/850196841.db2.gz SADJMDLRCDVDSV-CABCVRRESA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040937238 850329427 /nfs/dbraw/zinc/32/94/27/850329427.db2.gz VOXJVNPMLZVPNW-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047597603 851831532 /nfs/dbraw/zinc/83/15/32/851831532.db2.gz AKIXLXIMJQTRNH-ILXRZTDVSA-N 2 1 295.427 0.408 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001047597603 851831536 /nfs/dbraw/zinc/83/15/36/851831536.db2.gz AKIXLXIMJQTRNH-ILXRZTDVSA-N 2 1 295.427 0.408 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001047597603 851831543 /nfs/dbraw/zinc/83/15/43/851831543.db2.gz AKIXLXIMJQTRNH-ILXRZTDVSA-N 2 1 295.427 0.408 20 30 CCEDMP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001049646044 852332129 /nfs/dbraw/zinc/33/21/29/852332129.db2.gz OXMQSTRJAKQSBK-QLFBSQMISA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049646044 852332140 /nfs/dbraw/zinc/33/21/40/852332140.db2.gz OXMQSTRJAKQSBK-QLFBSQMISA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049646044 852332149 /nfs/dbraw/zinc/33/21/49/852332149.db2.gz OXMQSTRJAKQSBK-QLFBSQMISA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001097852014 852630715 /nfs/dbraw/zinc/63/07/15/852630715.db2.gz QOQLCQYXJYWCHN-YJNKXOJESA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001097852014 852630722 /nfs/dbraw/zinc/63/07/22/852630722.db2.gz QOQLCQYXJYWCHN-YJNKXOJESA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001097852014 852630729 /nfs/dbraw/zinc/63/07/29/852630729.db2.gz QOQLCQYXJYWCHN-YJNKXOJESA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001097852014 852630743 /nfs/dbraw/zinc/63/07/43/852630743.db2.gz QOQLCQYXJYWCHN-YJNKXOJESA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001054905549 853035219 /nfs/dbraw/zinc/03/52/19/853035219.db2.gz HDVKPRZXPLVIDP-AAEUAGOBSA-N 2 1 260.341 0.261 20 30 CCEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052276171 853723491 /nfs/dbraw/zinc/72/34/91/853723491.db2.gz YMVSCFGPXJBMPP-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052276171 853723496 /nfs/dbraw/zinc/72/34/96/853723496.db2.gz YMVSCFGPXJBMPP-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052276171 853723502 /nfs/dbraw/zinc/72/35/02/853723502.db2.gz YMVSCFGPXJBMPP-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052276171 853723507 /nfs/dbraw/zinc/72/35/07/853723507.db2.gz YMVSCFGPXJBMPP-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)Cc2cncn2C)CC[C@@H]1C ZINC001071994323 854331091 /nfs/dbraw/zinc/33/10/91/854331091.db2.gz FDEZULUILQHQKC-KBPBESRZSA-N 2 1 288.395 0.955 20 30 CCEDMP CC#CCN1C[C@@H](NC(=O)Cc2cncn2C)CC[C@@H]1C ZINC001071994323 854331096 /nfs/dbraw/zinc/33/10/96/854331096.db2.gz FDEZULUILQHQKC-KBPBESRZSA-N 2 1 288.395 0.955 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)Cc2cncn2C)CC[C@H]1C ZINC001071994324 854332104 /nfs/dbraw/zinc/33/21/04/854332104.db2.gz FDEZULUILQHQKC-KGLIPLIRSA-N 2 1 288.395 0.955 20 30 CCEDMP CC#CCN1C[C@@H](NC(=O)Cc2cncn2C)CC[C@H]1C ZINC001071994324 854332111 /nfs/dbraw/zinc/33/21/11/854332111.db2.gz FDEZULUILQHQKC-KGLIPLIRSA-N 2 1 288.395 0.955 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072554042 854415942 /nfs/dbraw/zinc/41/59/42/854415942.db2.gz MZMQSFHMCRZMLP-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072554042 854415945 /nfs/dbraw/zinc/41/59/45/854415945.db2.gz MZMQSFHMCRZMLP-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072554042 854415949 /nfs/dbraw/zinc/41/59/49/854415949.db2.gz MZMQSFHMCRZMLP-CQSZACIVSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001072896289 854488856 /nfs/dbraw/zinc/48/88/56/854488856.db2.gz GDWMJBTXRXWNAW-UHFFFAOYSA-N 2 1 287.407 0.782 20 30 CCEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073426187 854558773 /nfs/dbraw/zinc/55/87/73/854558773.db2.gz TYDQMKOUNZBCCC-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001073426187 854558778 /nfs/dbraw/zinc/55/87/78/854558778.db2.gz TYDQMKOUNZBCCC-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426187 854558781 /nfs/dbraw/zinc/55/87/81/854558781.db2.gz TYDQMKOUNZBCCC-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073554566 854593296 /nfs/dbraw/zinc/59/32/96/854593296.db2.gz JAGDVIQIZJHYEX-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073554566 854593300 /nfs/dbraw/zinc/59/33/00/854593300.db2.gz JAGDVIQIZJHYEX-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073554566 854593303 /nfs/dbraw/zinc/59/33/03/854593303.db2.gz JAGDVIQIZJHYEX-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001074663521 854762707 /nfs/dbraw/zinc/76/27/07/854762707.db2.gz ZIHRHLVLRZWOPL-ZQDZILKHSA-N 2 1 277.412 0.929 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709904 854768843 /nfs/dbraw/zinc/76/88/43/854768843.db2.gz VKLITLATTWESCF-ZOBORPQBSA-N 2 1 281.400 0.471 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709904 854768845 /nfs/dbraw/zinc/76/88/45/854768845.db2.gz VKLITLATTWESCF-ZOBORPQBSA-N 2 1 281.400 0.471 20 30 CCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001098479809 854867195 /nfs/dbraw/zinc/86/71/95/854867195.db2.gz AHWBOQHDTAZVJQ-HNNXBMFYSA-N 2 1 295.427 0.245 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099121284 854916631 /nfs/dbraw/zinc/91/66/31/854916631.db2.gz UWCVXNIJQGYKAH-YOEHRIQHSA-N 2 1 287.407 0.686 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001099804007 855000073 /nfs/dbraw/zinc/00/00/73/855000073.db2.gz GNQFRKDORZKBSJ-STQMWFEESA-N 2 1 292.383 0.470 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100048169 855084542 /nfs/dbraw/zinc/08/45/42/855084542.db2.gz GYBDKSNMKFKQGV-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100064703 855091116 /nfs/dbraw/zinc/09/11/16/855091116.db2.gz QCTYMBWFJILXGL-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100064703 855091124 /nfs/dbraw/zinc/09/11/24/855091124.db2.gz QCTYMBWFJILXGL-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100064703 855091126 /nfs/dbraw/zinc/09/11/26/855091126.db2.gz QCTYMBWFJILXGL-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132194 855104808 /nfs/dbraw/zinc/10/48/08/855104808.db2.gz POJNWSNNBGQTFD-ZIAGYGMSSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132194 855104811 /nfs/dbraw/zinc/10/48/11/855104811.db2.gz POJNWSNNBGQTFD-ZIAGYGMSSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132194 855104814 /nfs/dbraw/zinc/10/48/14/855104814.db2.gz POJNWSNNBGQTFD-ZIAGYGMSSA-N 2 1 283.416 0.454 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100980892 855251790 /nfs/dbraw/zinc/25/17/90/855251790.db2.gz LDYNYQVPGDEWCW-ROKHWSDSSA-N 2 1 263.385 0.446 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580038 855448027 /nfs/dbraw/zinc/44/80/27/855448027.db2.gz BZZAASGFBRNGOB-TZMCWYRMSA-N 2 1 274.368 0.509 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580038 855448032 /nfs/dbraw/zinc/44/80/32/855448032.db2.gz BZZAASGFBRNGOB-TZMCWYRMSA-N 2 1 274.368 0.509 20 30 CCEDMP Cc1[nH+]ccn1CCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC001118127180 856170683 /nfs/dbraw/zinc/17/06/83/856170683.db2.gz BFMHQHXGJOYRNC-LBPRGKRZSA-N 2 1 263.345 0.719 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001325162354 913250260 /nfs/dbraw/zinc/25/02/60/913250260.db2.gz SWPCLLAZLXTADC-MRXNPFEDSA-N 2 1 295.427 0.601 20 30 CCEDMP Cc1cc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc(C)[nH+]1 ZINC001325630082 913500122 /nfs/dbraw/zinc/50/01/22/913500122.db2.gz YXFAZIWEPWPOTR-CMPLNLGQSA-N 2 1 259.313 0.353 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481492685 892741140 /nfs/dbraw/zinc/74/11/40/892741140.db2.gz XKBYOUXTSJLOQB-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481492685 892741148 /nfs/dbraw/zinc/74/11/48/892741148.db2.gz XKBYOUXTSJLOQB-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001481492685 892741160 /nfs/dbraw/zinc/74/11/60/892741160.db2.gz XKBYOUXTSJLOQB-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001481810332 893176607 /nfs/dbraw/zinc/17/66/07/893176607.db2.gz FXCQXYKRESNASL-KBPBESRZSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001482141735 893437262 /nfs/dbraw/zinc/43/72/62/893437262.db2.gz GBTPOHHEOWNMDA-JSGCOSHPSA-N 2 1 288.395 0.729 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482141737 893437358 /nfs/dbraw/zinc/43/73/58/893437358.db2.gz GBTPOHHEOWNMDA-TZMCWYRMSA-N 2 1 288.395 0.729 20 30 CCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001498734877 893485617 /nfs/dbraw/zinc/48/56/17/893485617.db2.gz AAARCNNGOUGHRB-KBPBESRZSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482916725 894684224 /nfs/dbraw/zinc/68/42/24/894684224.db2.gz YQLBVZUWZUROOE-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482916725 894684231 /nfs/dbraw/zinc/68/42/31/894684231.db2.gz YQLBVZUWZUROOE-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001483045039 894841645 /nfs/dbraw/zinc/84/16/45/894841645.db2.gz UJBRYYNIMFSPTA-CFHLNLSMSA-N 2 1 251.374 0.919 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483217311 895124792 /nfs/dbraw/zinc/12/47/92/895124792.db2.gz PZGOYUDEWIKJCT-QWHCGFSZSA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483217311 895124800 /nfs/dbraw/zinc/12/48/00/895124800.db2.gz PZGOYUDEWIKJCT-QWHCGFSZSA-N 2 1 269.389 0.378 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001483939291 896125667 /nfs/dbraw/zinc/12/56/67/896125667.db2.gz JMAHCWRWVACOQP-ZDUSSCGKSA-N 2 1 260.341 0.405 20 30 CCEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001484485978 896442135 /nfs/dbraw/zinc/44/21/35/896442135.db2.gz DBOCMUNPIOPGNY-HNNXBMFYSA-N 2 1 295.427 0.151 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC ZINC001484993731 896709464 /nfs/dbraw/zinc/70/94/64/896709464.db2.gz CWHLAZQPYLEUPY-STQMWFEESA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC ZINC001484993731 896709472 /nfs/dbraw/zinc/70/94/72/896709472.db2.gz CWHLAZQPYLEUPY-STQMWFEESA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001485064392 896742046 /nfs/dbraw/zinc/74/20/46/896742046.db2.gz FCWVUIPPHMTGDD-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001485064392 896742056 /nfs/dbraw/zinc/74/20/56/896742056.db2.gz FCWVUIPPHMTGDD-CQSZACIVSA-N 2 1 274.368 0.748 20 30 CCEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485715878 897198265 /nfs/dbraw/zinc/19/82/65/897198265.db2.gz IPFGVVKRAQSAGV-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485715878 897198273 /nfs/dbraw/zinc/19/82/73/897198273.db2.gz IPFGVVKRAQSAGV-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001485802729 897254109 /nfs/dbraw/zinc/25/41/09/897254109.db2.gz BCZBENMYFOCIQP-GJZGRUSLSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C1CCC1 ZINC001032448170 897582911 /nfs/dbraw/zinc/58/29/11/897582911.db2.gz MCBBPIMVSGHGKP-GJZGRUSLSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C1CCC1 ZINC001032448170 897582926 /nfs/dbraw/zinc/58/29/26/897582926.db2.gz MCBBPIMVSGHGKP-GJZGRUSLSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1 ZINC001032448170 897582941 /nfs/dbraw/zinc/58/29/41/897582941.db2.gz MCBBPIMVSGHGKP-GJZGRUSLSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1 ZINC001032448170 897582957 /nfs/dbraw/zinc/58/29/57/897582957.db2.gz MCBBPIMVSGHGKP-GJZGRUSLSA-N 2 1 275.396 0.779 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388926 897687458 /nfs/dbraw/zinc/68/74/58/897687458.db2.gz MCPURDUAZHNSMC-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388926 897687462 /nfs/dbraw/zinc/68/74/62/897687462.db2.gz MCPURDUAZHNSMC-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001032589107 897785118 /nfs/dbraw/zinc/78/51/18/897785118.db2.gz YENDWDHXLGPIEY-KKUMJFAQSA-N 2 1 291.395 0.014 20 30 CCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001032628199 897845068 /nfs/dbraw/zinc/84/50/68/897845068.db2.gz SBIIPMOVZDNWDI-IHRRRGAJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001032628199 897845080 /nfs/dbraw/zinc/84/50/80/897845080.db2.gz SBIIPMOVZDNWDI-IHRRRGAJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032628199 897845089 /nfs/dbraw/zinc/84/50/89/897845089.db2.gz SBIIPMOVZDNWDI-IHRRRGAJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032628199 897845100 /nfs/dbraw/zinc/84/51/00/897845100.db2.gz SBIIPMOVZDNWDI-IHRRRGAJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733569 898033562 /nfs/dbraw/zinc/03/35/62/898033562.db2.gz ANAVSFYRMJXZLO-KBPBESRZSA-N 2 1 275.396 0.943 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733569 898033579 /nfs/dbraw/zinc/03/35/79/898033579.db2.gz ANAVSFYRMJXZLO-KBPBESRZSA-N 2 1 275.396 0.943 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032781201 898177972 /nfs/dbraw/zinc/17/79/72/898177972.db2.gz NKZYZEWADPHSHK-IHRRRGAJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032781201 898177976 /nfs/dbraw/zinc/17/79/76/898177976.db2.gz NKZYZEWADPHSHK-IHRRRGAJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032781201 898177983 /nfs/dbraw/zinc/17/79/83/898177983.db2.gz NKZYZEWADPHSHK-IHRRRGAJSA-N 2 1 263.385 0.799 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436697 898212279 /nfs/dbraw/zinc/21/22/79/898212279.db2.gz FOJTYWNBSZLFNA-KFWWJZLASA-N 2 1 295.427 0.411 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436697 898212293 /nfs/dbraw/zinc/21/22/93/898212293.db2.gz FOJTYWNBSZLFNA-KFWWJZLASA-N 2 1 295.427 0.411 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001485959561 898559444 /nfs/dbraw/zinc/55/94/44/898559444.db2.gz WWNFDNCHIZAQSP-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001485959561 898559454 /nfs/dbraw/zinc/55/94/54/898559454.db2.gz WWNFDNCHIZAQSP-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390121 900010801 /nfs/dbraw/zinc/01/08/01/900010801.db2.gz NHHRDIOFEBPRPG-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189390121 900010808 /nfs/dbraw/zinc/01/08/08/900010808.db2.gz NHHRDIOFEBPRPG-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189390121 900010821 /nfs/dbraw/zinc/01/08/21/900010821.db2.gz NHHRDIOFEBPRPG-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCN1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001197001087 900059960 /nfs/dbraw/zinc/05/99/60/900059960.db2.gz SFWYVQUUAJDQJG-HUUCEWRRSA-N 2 1 295.427 0.293 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001490560794 900668534 /nfs/dbraw/zinc/66/85/34/900668534.db2.gz UIIYCLMHYBIFQB-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001490560794 900668536 /nfs/dbraw/zinc/66/85/36/900668536.db2.gz UIIYCLMHYBIFQB-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001490560794 900668544 /nfs/dbraw/zinc/66/85/44/900668544.db2.gz UIIYCLMHYBIFQB-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001319606882 900891637 /nfs/dbraw/zinc/89/16/37/900891637.db2.gz ZTUXDNFXIRWZKW-KGLIPLIRSA-N 2 1 283.416 0.624 20 30 CCEDMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001319606882 900891642 /nfs/dbraw/zinc/89/16/42/900891642.db2.gz ZTUXDNFXIRWZKW-KGLIPLIRSA-N 2 1 283.416 0.624 20 30 CCEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001490820017 902021676 /nfs/dbraw/zinc/02/16/76/902021676.db2.gz PFRFDARXCSLMIR-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001490820017 902021686 /nfs/dbraw/zinc/02/16/86/902021686.db2.gz PFRFDARXCSLMIR-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001282544734 904505357 /nfs/dbraw/zinc/50/53/57/904505357.db2.gz GXFSUYLICCLBGO-CQSZACIVSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001282544734 904505365 /nfs/dbraw/zinc/50/53/65/904505365.db2.gz GXFSUYLICCLBGO-CQSZACIVSA-N 2 1 295.427 0.457 20 30 CCEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C(C)C ZINC001283556316 904906618 /nfs/dbraw/zinc/90/66/18/904906618.db2.gz HSEZGVSQGBOEDJ-AWEZNQCLSA-N 2 1 265.401 0.786 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCC(C)C ZINC001283766109 905000175 /nfs/dbraw/zinc/00/01/75/905000175.db2.gz ZTAFYCLUTBXIJG-GJZGRUSLSA-N 2 1 295.427 0.197 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCC(C)C ZINC001283766109 905000195 /nfs/dbraw/zinc/00/01/95/905000195.db2.gz ZTAFYCLUTBXIJG-GJZGRUSLSA-N 2 1 295.427 0.197 20 30 CCEDMP COCC#CC[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284959732 905513053 /nfs/dbraw/zinc/51/30/53/905513053.db2.gz NODSSZSRVRUWSY-UHFFFAOYSA-N 2 1 293.411 0.336 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC001293715683 906508348 /nfs/dbraw/zinc/50/83/48/906508348.db2.gz JINJCLVZOJQLMV-AWEZNQCLSA-N 2 1 295.452 0.591 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC001293715683 906508353 /nfs/dbraw/zinc/50/83/53/906508353.db2.gz JINJCLVZOJQLMV-AWEZNQCLSA-N 2 1 295.452 0.591 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC001293715683 906508368 /nfs/dbraw/zinc/50/83/68/906508368.db2.gz JINJCLVZOJQLMV-AWEZNQCLSA-N 2 1 295.452 0.591 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC001293715683 906508383 /nfs/dbraw/zinc/50/83/83/906508383.db2.gz JINJCLVZOJQLMV-AWEZNQCLSA-N 2 1 295.452 0.591 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001491686468 907503182 /nfs/dbraw/zinc/50/31/82/907503182.db2.gz VWEDXEZEQCUYMG-NEPJUHHUSA-N 2 1 289.807 0.554 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001491686468 907503191 /nfs/dbraw/zinc/50/31/91/907503191.db2.gz VWEDXEZEQCUYMG-NEPJUHHUSA-N 2 1 289.807 0.554 20 30 CCEDMP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001491857151 907608539 /nfs/dbraw/zinc/60/85/39/907608539.db2.gz QJTSTGIQEGCJEK-LSDHHAIUSA-N 2 1 295.427 0.579 20 30 CCEDMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001492221434 907778279 /nfs/dbraw/zinc/77/82/79/907778279.db2.gz VNABGOPGAVMRIN-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492221434 907778291 /nfs/dbraw/zinc/77/82/91/907778291.db2.gz VNABGOPGAVMRIN-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492221434 907778309 /nfs/dbraw/zinc/77/83/09/907778309.db2.gz VNABGOPGAVMRIN-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001492221434 907778332 /nfs/dbraw/zinc/77/83/32/907778332.db2.gz VNABGOPGAVMRIN-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001492221434 907778340 /nfs/dbraw/zinc/77/83/40/907778340.db2.gz VNABGOPGAVMRIN-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001336877199 908014275 /nfs/dbraw/zinc/01/42/75/908014275.db2.gz OIAXCJLKEJWKFB-CQSZACIVSA-N 2 1 280.416 0.773 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCOCC ZINC001317260252 909097615 /nfs/dbraw/zinc/09/76/15/909097615.db2.gz WXULMJJXHSMTLD-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCOCC ZINC001317260252 909097631 /nfs/dbraw/zinc/09/76/31/909097631.db2.gz WXULMJJXHSMTLD-KBPBESRZSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CC[NH2+][C@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317405938 909183155 /nfs/dbraw/zinc/18/31/55/909183155.db2.gz NHWJBETWFBIZRY-QWHCGFSZSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001317459335 909240027 /nfs/dbraw/zinc/24/00/27/909240027.db2.gz NHYJQIWTHHMNGT-UHFFFAOYSA-N 2 1 251.374 0.400 20 30 CCEDMP CC[C@@H](C(=O)NCC[N@@H+](CC)CC#CCOC)[NH+](C)C ZINC001317490983 909264470 /nfs/dbraw/zinc/26/44/70/909264470.db2.gz NKODVVSHCHMKJG-AWEZNQCLSA-N 2 1 283.416 0.415 20 30 CCEDMP C#CCN1CC[C@H](N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001318482614 909773944 /nfs/dbraw/zinc/77/39/44/909773944.db2.gz KOVJHRGYWZTGDG-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001318482614 909773957 /nfs/dbraw/zinc/77/39/57/909773957.db2.gz KOVJHRGYWZTGDG-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001318482614 909773964 /nfs/dbraw/zinc/77/39/64/909773964.db2.gz KOVJHRGYWZTGDG-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001318482614 909773986 /nfs/dbraw/zinc/77/39/86/909773986.db2.gz KOVJHRGYWZTGDG-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001319132573 909997560 /nfs/dbraw/zinc/99/75/60/909997560.db2.gz QMMINPFGARTXCZ-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001320008402 910413119 /nfs/dbraw/zinc/41/31/19/910413119.db2.gz IQCPADQQOAYBPZ-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[NH+](C)CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001320008402 910413126 /nfs/dbraw/zinc/41/31/26/910413126.db2.gz IQCPADQQOAYBPZ-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CCC[NH+](C)CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001320008402 910413134 /nfs/dbraw/zinc/41/31/34/910413134.db2.gz IQCPADQQOAYBPZ-UHFFFAOYSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001320019835 910416127 /nfs/dbraw/zinc/41/61/27/910416127.db2.gz DPVRPGCJAVGDGO-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001321011784 911014840 /nfs/dbraw/zinc/01/48/40/911014840.db2.gz FOWSUMDQISGMDD-ISZGNANSSA-N 2 1 281.400 0.545 20 30 CCEDMP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001321011784 911014856 /nfs/dbraw/zinc/01/48/56/911014856.db2.gz FOWSUMDQISGMDD-ISZGNANSSA-N 2 1 281.400 0.545 20 30 CCEDMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001328457991 915210324 /nfs/dbraw/zinc/21/03/24/915210324.db2.gz BZTJWZKVJCGFCE-QWHCGFSZSA-N 2 1 269.389 0.378 20 30 CCEDMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001328457991 915210335 /nfs/dbraw/zinc/21/03/35/915210335.db2.gz BZTJWZKVJCGFCE-QWHCGFSZSA-N 2 1 269.389 0.378 20 30 CCEDMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001328787879 915432786 /nfs/dbraw/zinc/43/27/86/915432786.db2.gz ZLBQPMCWEKKIDZ-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001328787879 915432792 /nfs/dbraw/zinc/43/27/92/915432792.db2.gz ZLBQPMCWEKKIDZ-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001330708552 916805778 /nfs/dbraw/zinc/80/57/78/916805778.db2.gz OJQFPAAMFUQWOM-JOCQHMNTSA-N 2 1 251.374 0.444 20 30 CCEDMP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001330987304 917008536 /nfs/dbraw/zinc/00/85/36/917008536.db2.gz JMPSZORGELCZKW-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001330987304 917008542 /nfs/dbraw/zinc/00/85/42/917008542.db2.gz JMPSZORGELCZKW-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001331560401 917415837 /nfs/dbraw/zinc/41/58/37/917415837.db2.gz KQVBFPWKARRNDK-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001332536958 918267018 /nfs/dbraw/zinc/26/70/18/918267018.db2.gz PJLPIXZPKMHWOB-HUUCEWRRSA-N 2 1 297.443 0.702 20 30 CCEDMP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001332633733 918331315 /nfs/dbraw/zinc/33/13/15/918331315.db2.gz SRJQODIRRQSFLW-RBSFLKMASA-N 2 1 297.443 0.654 20 30 CCEDMP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001332633733 918331329 /nfs/dbraw/zinc/33/13/29/918331329.db2.gz SRJQODIRRQSFLW-RBSFLKMASA-N 2 1 297.443 0.654 20 30 CCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001332633733 918331346 /nfs/dbraw/zinc/33/13/46/918331346.db2.gz SRJQODIRRQSFLW-RBSFLKMASA-N 2 1 297.443 0.654 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001332648361 918352605 /nfs/dbraw/zinc/35/26/05/918352605.db2.gz ONWURDMVRPUPMU-CHWSQXEVSA-N 2 1 269.389 0.018 20 30 CCEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001332648361 918352620 /nfs/dbraw/zinc/35/26/20/918352620.db2.gz ONWURDMVRPUPMU-CHWSQXEVSA-N 2 1 269.389 0.018 20 30 CCEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001332648361 918352638 /nfs/dbraw/zinc/35/26/38/918352638.db2.gz ONWURDMVRPUPMU-CHWSQXEVSA-N 2 1 269.389 0.018 20 30 CCEDMP C#CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CCOC ZINC001332914602 918526928 /nfs/dbraw/zinc/52/69/28/918526928.db2.gz XKJKGKORQPTEPZ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)CCOC ZINC001332914602 918526937 /nfs/dbraw/zinc/52/69/37/918526937.db2.gz XKJKGKORQPTEPZ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)CCOC ZINC001332914602 918526952 /nfs/dbraw/zinc/52/69/52/918526952.db2.gz XKJKGKORQPTEPZ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001333075932 918638417 /nfs/dbraw/zinc/63/84/17/918638417.db2.gz RUEOKUXSLYSUAU-UHFFFAOYSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC001341665864 922613706 /nfs/dbraw/zinc/61/37/06/922613706.db2.gz RHPXNNZUMQWOSQ-CQSZACIVSA-N 2 1 275.327 0.521 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001341731143 922646829 /nfs/dbraw/zinc/64/68/29/922646829.db2.gz BYKRASHERSKHDP-STQMWFEESA-N 2 1 268.405 0.032 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001342157563 922837058 /nfs/dbraw/zinc/83/70/58/922837058.db2.gz WGHHQCCSUHJWAA-LBPRGKRZSA-N 2 1 288.823 0.162 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001342157563 922837071 /nfs/dbraw/zinc/83/70/71/922837071.db2.gz WGHHQCCSUHJWAA-LBPRGKRZSA-N 2 1 288.823 0.162 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001342900406 923129683 /nfs/dbraw/zinc/12/96/83/923129683.db2.gz DYCPQUMVMJUZRD-LLVKDONJSA-N 2 1 263.345 0.608 20 30 CCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001479680359 923397099 /nfs/dbraw/zinc/39/70/99/923397099.db2.gz SUFCVSYVNRZNFQ-HNNXBMFYSA-N 2 1 295.427 0.368 20 30 CCEDMP C#CC[NH+](C)CCOCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001479680359 923397113 /nfs/dbraw/zinc/39/71/13/923397113.db2.gz SUFCVSYVNRZNFQ-HNNXBMFYSA-N 2 1 295.427 0.368 20 30 CCEDMP C#CC[NH+](C)CCOCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001479680359 923397127 /nfs/dbraw/zinc/39/71/27/923397127.db2.gz SUFCVSYVNRZNFQ-HNNXBMFYSA-N 2 1 295.427 0.368 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2C)C1 ZINC001345790360 923976733 /nfs/dbraw/zinc/97/67/33/923976733.db2.gz RHULAPILSGSVOM-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2C)C1 ZINC001345790360 923976739 /nfs/dbraw/zinc/97/67/39/923976739.db2.gz RHULAPILSGSVOM-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C)C1 ZINC001345790360 923976750 /nfs/dbraw/zinc/97/67/50/923976750.db2.gz RHULAPILSGSVOM-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C)C1 ZINC001345790360 923976763 /nfs/dbraw/zinc/97/67/63/923976763.db2.gz RHULAPILSGSVOM-LSDHHAIUSA-N 2 1 292.427 0.868 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001354041139 925993218 /nfs/dbraw/zinc/99/32/18/925993218.db2.gz JXODXNMWVWAXCG-QWHCGFSZSA-N 2 1 251.374 0.657 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1CCC[C@@H]1O)[C@@H]1CCC[C@@H]1O ZINC000352666963 529823239 /nfs/dbraw/zinc/82/32/39/529823239.db2.gz IQSPPCXKVPKATN-WCVJEAGWSA-N 2 1 280.412 0.680 20 30 CCEDMP N#Cc1ccccc1OC[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000402131756 290765024 /nfs/dbraw/zinc/76/50/24/290765024.db2.gz FDAPPRFTXJBWQU-RBSFLKMASA-N 2 1 287.363 0.449 20 30 CCEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000602614414 362714878 /nfs/dbraw/zinc/71/48/78/362714878.db2.gz YMFZUCBQIZNCNG-DZGCQCFKSA-N 2 1 281.400 0.742 20 30 CCEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000602614414 362714882 /nfs/dbraw/zinc/71/48/82/362714882.db2.gz YMFZUCBQIZNCNG-DZGCQCFKSA-N 2 1 281.400 0.742 20 30 CCEDMP C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000037864504 348215053 /nfs/dbraw/zinc/21/50/53/348215053.db2.gz CZXJANXNQIZEMW-HNNXBMFYSA-N 2 1 289.379 0.982 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404293380 357820250 /nfs/dbraw/zinc/82/02/50/357820250.db2.gz WBSZVYBNHKOZKH-VXGBXAGGSA-N 2 1 282.388 0.448 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404293380 357820252 /nfs/dbraw/zinc/82/02/52/357820252.db2.gz WBSZVYBNHKOZKH-VXGBXAGGSA-N 2 1 282.388 0.448 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000591726614 359648954 /nfs/dbraw/zinc/64/89/54/359648954.db2.gz WDLKNHBZXUYWJP-RRFJBIMHSA-N 2 1 280.416 0.409 20 30 CCEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C[NH+]1CCOCC1 ZINC000594437514 360305780 /nfs/dbraw/zinc/30/57/80/360305780.db2.gz JVBUWYBVAOTVJT-KBPBESRZSA-N 2 1 296.415 0.482 20 30 CCEDMP C[N@H+]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439616 360308511 /nfs/dbraw/zinc/30/85/11/360308511.db2.gz SQUODGMOPFHRRE-GFCCVEGCSA-N 2 1 252.362 0.562 20 30 CCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C#N)c[nH]1 ZINC000596450002 360898016 /nfs/dbraw/zinc/89/80/16/360898016.db2.gz QZAZPPQDOOLYBU-LBPRGKRZSA-N 2 1 291.399 0.888 20 30 CCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C#N)c[nH]1 ZINC000596450002 360898020 /nfs/dbraw/zinc/89/80/20/360898020.db2.gz QZAZPPQDOOLYBU-LBPRGKRZSA-N 2 1 291.399 0.888 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](C)C2)CC1 ZINC000109850307 389100941 /nfs/dbraw/zinc/10/09/41/389100941.db2.gz WCOXUYGCRMUGND-CYBMUJFWSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247132844 389236962 /nfs/dbraw/zinc/23/69/62/389236962.db2.gz ATPMXQQTVCQZFL-MJBXVCDLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247132844 389236965 /nfs/dbraw/zinc/23/69/65/389236965.db2.gz ATPMXQQTVCQZFL-MJBXVCDLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247132844 389236968 /nfs/dbraw/zinc/23/69/68/389236968.db2.gz ATPMXQQTVCQZFL-MJBXVCDLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247132844 389236971 /nfs/dbraw/zinc/23/69/71/389236971.db2.gz ATPMXQQTVCQZFL-MJBXVCDLSA-N 2 1 263.385 0.540 20 30 CCEDMP COCCNC(=[NH2+])NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000267422289 389371313 /nfs/dbraw/zinc/37/13/13/389371313.db2.gz KUUDTKHLVDKYRO-UHFFFAOYSA-N 2 1 290.411 0.636 20 30 CCEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000350253621 389501114 /nfs/dbraw/zinc/50/11/14/389501114.db2.gz NWGIIICIBOTZNG-CYBMUJFWSA-N 2 1 282.388 0.059 20 30 CCEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC000350253621 389501119 /nfs/dbraw/zinc/50/11/19/389501119.db2.gz NWGIIICIBOTZNG-CYBMUJFWSA-N 2 1 282.388 0.059 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329786 389983936 /nfs/dbraw/zinc/98/39/36/389983936.db2.gz HKFQDTSFJOBHMT-RWMBFGLXSA-N 2 1 294.399 0.318 20 30 CCEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000451678710 390003902 /nfs/dbraw/zinc/00/39/02/390003902.db2.gz FQTQOCOZCIGKOW-MCIONIFRSA-N 2 1 254.374 0.765 20 30 CCEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000451678710 390003903 /nfs/dbraw/zinc/00/39/03/390003903.db2.gz FQTQOCOZCIGKOW-MCIONIFRSA-N 2 1 254.374 0.765 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000564845521 390497472 /nfs/dbraw/zinc/49/74/72/390497472.db2.gz UHIAMNQKRXWXIU-DZGCQCFKSA-N 2 1 280.416 0.267 20 30 CCEDMP C=CC[C@]1(C(=O)N2CCC[N@H+](CCOC)CC2)CCC[NH2+]1 ZINC000662786940 414795507 /nfs/dbraw/zinc/79/55/07/414795507.db2.gz AOMFJAVRKSEYFA-MRXNPFEDSA-N 2 1 295.427 0.865 20 30 CCEDMP C[NH2+]CCCc1[nH]nc(NC(=O)C2([NH+](C)C)CC2)c1C#N ZINC000600814699 420492906 /nfs/dbraw/zinc/49/29/06/420492906.db2.gz JJWIWGGXICJMRG-UHFFFAOYSA-N 2 1 290.371 0.466 20 30 CCEDMP Cc1noc(C)c1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000170911401 261449409 /nfs/dbraw/zinc/44/94/09/261449409.db2.gz UDUROXUURKTYIM-UHFFFAOYSA-N 2 1 295.387 0.418 20 30 CCEDMP C[C@@H](O)[C@H]1CC[N@@H+](CC#CC[NH+]2CC[C@@H]([C@H](C)O)C2)C1 ZINC000341905709 263364795 /nfs/dbraw/zinc/36/47/95/263364795.db2.gz CCEQKLDXCHDCQG-SYMSYNOKSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H](O)[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H]([C@H](C)O)C2)C1 ZINC000341905709 263364797 /nfs/dbraw/zinc/36/47/97/263364797.db2.gz CCEQKLDXCHDCQG-SYMSYNOKSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H](O)[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H]([C@H](C)O)C2)C1 ZINC000341905709 263364799 /nfs/dbraw/zinc/36/47/99/263364799.db2.gz CCEQKLDXCHDCQG-SYMSYNOKSA-N 2 1 280.412 0.395 20 30 CCEDMP C=CCNC(=[NH+]C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261789717 329983643 /nfs/dbraw/zinc/98/36/43/329983643.db2.gz QTSAXZXRRKFLJW-CYBMUJFWSA-N 2 1 266.389 0.402 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1=CCCOC1 ZINC000262321525 330005974 /nfs/dbraw/zinc/00/59/74/330005974.db2.gz RMIPIXLURXMNGW-CYBMUJFWSA-N 2 1 266.389 0.722 20 30 CCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424141607 330283304 /nfs/dbraw/zinc/28/33/04/330283304.db2.gz GQWDAMQXAHYJGJ-WXHSDQCUSA-N 2 1 264.373 0.606 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000424155218 330301906 /nfs/dbraw/zinc/30/19/06/330301906.db2.gz MNGHTOGMTXZAHW-JQWIXIFHSA-N 2 1 250.346 0.360 20 30 CCEDMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424157118 330304602 /nfs/dbraw/zinc/30/46/02/330304602.db2.gz PGMFLIZHMJUVFX-NWDGAFQWSA-N 2 1 252.362 0.608 20 30 CCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300500 330337062 /nfs/dbraw/zinc/33/70/62/330337062.db2.gz WJVHZSTXBTZTPX-LBPRGKRZSA-N 2 1 294.399 0.462 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000491340142 332193292 /nfs/dbraw/zinc/19/32/92/332193292.db2.gz VTVTVECRFPGHBG-AWEZNQCLSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000491473611 332217877 /nfs/dbraw/zinc/21/78/77/332217877.db2.gz FZUMHWCOQOHTED-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)CC[C@H]1C ZINC000491473611 332217879 /nfs/dbraw/zinc/21/78/79/332217879.db2.gz FZUMHWCOQOHTED-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)CC[C@H]1C ZINC000491473611 332217880 /nfs/dbraw/zinc/21/78/80/332217880.db2.gz FZUMHWCOQOHTED-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000491516114 332227728 /nfs/dbraw/zinc/22/77/28/332227728.db2.gz QZRRIGDIECIETO-CQSZACIVSA-N 2 1 280.416 0.583 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=S)NCCC[NH+](C)C ZINC000491680101 332283874 /nfs/dbraw/zinc/28/38/74/332283874.db2.gz HVIYZQDRDQYGEH-UHFFFAOYSA-N 2 1 270.446 0.357 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000491730399 332312470 /nfs/dbraw/zinc/31/24/70/332312470.db2.gz OSYSJUWEFKRJQN-CQSZACIVSA-N 2 1 280.416 0.712 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(CC(=O)OC)C1 ZINC000491750407 332327061 /nfs/dbraw/zinc/32/70/61/332327061.db2.gz RUPRKGSBPJALBP-UHFFFAOYSA-N 2 1 252.358 0.873 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(CC(=O)OC)C1 ZINC000491750407 332327062 /nfs/dbraw/zinc/32/70/62/332327062.db2.gz RUPRKGSBPJALBP-UHFFFAOYSA-N 2 1 252.358 0.873 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000491800575 332355294 /nfs/dbraw/zinc/35/52/94/332355294.db2.gz AHBMXEPUCFHSHZ-CQSZACIVSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+]1CC ZINC000491800575 332355295 /nfs/dbraw/zinc/35/52/95/332355295.db2.gz AHBMXEPUCFHSHZ-CQSZACIVSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+]1CC ZINC000491800575 332355297 /nfs/dbraw/zinc/35/52/97/332355297.db2.gz AHBMXEPUCFHSHZ-CQSZACIVSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CCOCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000779586575 581193385 /nfs/dbraw/zinc/19/33/85/581193385.db2.gz ZDJXKFVDRXDJMT-UHFFFAOYSA-N 2 1 253.390 0.206 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000783019990 581334418 /nfs/dbraw/zinc/33/44/18/581334418.db2.gz HKFOFIFIAOOROS-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CC(C)(C)[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878514051 612945718 /nfs/dbraw/zinc/94/57/18/612945718.db2.gz MEMBUAQQHCOOJO-UHFFFAOYSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC(C)(C)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878514051 612945719 /nfs/dbraw/zinc/94/57/19/612945719.db2.gz MEMBUAQQHCOOJO-UHFFFAOYSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000865086228 613010323 /nfs/dbraw/zinc/01/03/23/613010323.db2.gz WJEVJSIEODOFMU-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000865086228 613010324 /nfs/dbraw/zinc/01/03/24/613010324.db2.gz WJEVJSIEODOFMU-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCNC(=O)[C@H](C)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852109127 612949693 /nfs/dbraw/zinc/94/96/93/612949693.db2.gz WBYLJJRURUQBSZ-ZFWWWQNUSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000895056445 613074661 /nfs/dbraw/zinc/07/46/61/613074661.db2.gz KZENRIRXYPVXPC-OKILXGFUSA-N 2 1 278.400 0.145 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000895056445 613074662 /nfs/dbraw/zinc/07/46/62/613074662.db2.gz KZENRIRXYPVXPC-OKILXGFUSA-N 2 1 278.400 0.145 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000895056445 613074663 /nfs/dbraw/zinc/07/46/63/613074663.db2.gz KZENRIRXYPVXPC-OKILXGFUSA-N 2 1 278.400 0.145 20 30 CCEDMP C#CCCN(CCOC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000852749442 612989466 /nfs/dbraw/zinc/98/94/66/612989466.db2.gz YGTOSVGQXWFUOS-AWEZNQCLSA-N 2 1 256.390 0.659 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000950360064 612990645 /nfs/dbraw/zinc/99/06/45/612990645.db2.gz OCDNCYRKJDWXOB-UKRRQHHQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000950360064 612990646 /nfs/dbraw/zinc/99/06/46/612990646.db2.gz OCDNCYRKJDWXOB-UKRRQHHQSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969960429 612994291 /nfs/dbraw/zinc/99/42/91/612994291.db2.gz ZCWXVMQBFKZFRH-UMVBOHGHSA-N 2 1 293.411 0.165 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000981958165 613005038 /nfs/dbraw/zinc/00/50/38/613005038.db2.gz BPXAHHUAUYGUDS-CABCVRRESA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981958165 613005039 /nfs/dbraw/zinc/00/50/39/613005039.db2.gz BPXAHHUAUYGUDS-CABCVRRESA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981958165 613005040 /nfs/dbraw/zinc/00/50/40/613005040.db2.gz BPXAHHUAUYGUDS-CABCVRRESA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977602529 613032586 /nfs/dbraw/zinc/03/25/86/613032586.db2.gz RQXGECIDLYQIDE-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977602529 613032587 /nfs/dbraw/zinc/03/25/87/613032587.db2.gz RQXGECIDLYQIDE-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977602529 613032588 /nfs/dbraw/zinc/03/25/88/613032588.db2.gz RQXGECIDLYQIDE-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000824570554 613073962 /nfs/dbraw/zinc/07/39/62/613073962.db2.gz TYPANMSMQLKZDR-LSDHHAIUSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000824570554 613073964 /nfs/dbraw/zinc/07/39/64/613073964.db2.gz TYPANMSMQLKZDR-LSDHHAIUSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000824570554 613073966 /nfs/dbraw/zinc/07/39/66/613073966.db2.gz TYPANMSMQLKZDR-LSDHHAIUSA-N 2 1 292.427 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000894639438 613079343 /nfs/dbraw/zinc/07/93/43/613079343.db2.gz LNNGVEOGEJXBCB-BFHYXJOUSA-N 2 1 254.374 0.724 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000894639438 613079344 /nfs/dbraw/zinc/07/93/44/613079344.db2.gz LNNGVEOGEJXBCB-BFHYXJOUSA-N 2 1 254.374 0.724 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734880 613079641 /nfs/dbraw/zinc/07/96/41/613079641.db2.gz GRNXSUHQJPSNKK-CYBMUJFWSA-N 2 1 261.369 0.248 20 30 CCEDMP C#C[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000839565187 613099752 /nfs/dbraw/zinc/09/97/52/613099752.db2.gz VJZHBAUOTBUECP-CABCVRRESA-N 2 1 293.411 0.357 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC000928658706 613132974 /nfs/dbraw/zinc/13/29/74/613132974.db2.gz ZEVYQMVJHLKJEZ-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000920404207 613135427 /nfs/dbraw/zinc/13/54/27/613135427.db2.gz LUIMWIQILWSFCK-HIFRSBDPSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(CC)[C@H]2CC[N@H+](C)C2)C1 ZINC000890364383 613183308 /nfs/dbraw/zinc/18/33/08/613183308.db2.gz ZFOYHDBWFMLGFQ-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(CC)[C@H]2CC[N@@H+](C)C2)C1 ZINC000890364383 613183309 /nfs/dbraw/zinc/18/33/09/613183309.db2.gz ZFOYHDBWFMLGFQ-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC)[C@H]2CC[NH+](C)C2)C1 ZINC000890364383 613183311 /nfs/dbraw/zinc/18/33/11/613183311.db2.gz ZFOYHDBWFMLGFQ-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC)[C@H]2CC[NH+](C)C2)C1 ZINC000890364383 613183312 /nfs/dbraw/zinc/18/33/12/613183312.db2.gz ZFOYHDBWFMLGFQ-GJZGRUSLSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC000971704285 613196012 /nfs/dbraw/zinc/19/60/12/613196012.db2.gz REJWRZDDOGCIAU-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC000971704285 613196014 /nfs/dbraw/zinc/19/60/14/613196014.db2.gz REJWRZDDOGCIAU-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC)C1 ZINC000971704285 613196016 /nfs/dbraw/zinc/19/60/16/613196016.db2.gz REJWRZDDOGCIAU-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC)C1 ZINC000971704285 613196018 /nfs/dbraw/zinc/19/60/18/613196018.db2.gz REJWRZDDOGCIAU-KGLIPLIRSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC000971704284 613196727 /nfs/dbraw/zinc/19/67/27/613196727.db2.gz REJWRZDDOGCIAU-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC000971704284 613196728 /nfs/dbraw/zinc/19/67/28/613196728.db2.gz REJWRZDDOGCIAU-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC)C1 ZINC000971704284 613196729 /nfs/dbraw/zinc/19/67/29/613196729.db2.gz REJWRZDDOGCIAU-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC)C1 ZINC000971704284 613196730 /nfs/dbraw/zinc/19/67/30/613196730.db2.gz REJWRZDDOGCIAU-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)CCC[NH+](C)C ZINC000855414339 613198414 /nfs/dbraw/zinc/19/84/14/613198414.db2.gz BPLASUCGWQGSCV-HNNXBMFYSA-N 2 1 294.443 0.084 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CCC[NH+](C)C ZINC000855414339 613198415 /nfs/dbraw/zinc/19/84/15/613198415.db2.gz BPLASUCGWQGSCV-HNNXBMFYSA-N 2 1 294.443 0.084 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944151532 613223671 /nfs/dbraw/zinc/22/36/71/613223671.db2.gz ABPHDYFEEUTISA-ZIAGYGMSSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931354492 613324577 /nfs/dbraw/zinc/32/45/77/613324577.db2.gz JCPRQRDHQQHBCS-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCNC(=O)CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931315690 613326132 /nfs/dbraw/zinc/32/61/32/613326132.db2.gz ZGMROHVFDRBRKA-HUUCEWRRSA-N 2 1 263.385 0.400 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889745211 613364353 /nfs/dbraw/zinc/36/43/53/613364353.db2.gz RQQPHIZAUUJFMC-GJZGRUSLSA-N 2 1 295.427 0.552 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000900912665 613364828 /nfs/dbraw/zinc/36/48/28/613364828.db2.gz NNYFCWKGSCMUSF-LBPRGKRZSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000764578127 613365759 /nfs/dbraw/zinc/36/57/59/613365759.db2.gz WFWSCMYKYZZCRJ-WCQYABFASA-N 2 1 253.390 0.903 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000817043243 613366146 /nfs/dbraw/zinc/36/61/46/613366146.db2.gz FANBYAASDIZHOL-CQSZACIVSA-N 2 1 251.374 0.658 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCCC[N@H+](C)CCOC ZINC000798279588 613366498 /nfs/dbraw/zinc/36/64/98/613366498.db2.gz CIOBULFULVMYIK-UHFFFAOYSA-N 2 1 257.378 0.189 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981960710 613552956 /nfs/dbraw/zinc/55/29/56/613552956.db2.gz XGUUTMZRGDPXLZ-CABCVRRESA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981960710 613552957 /nfs/dbraw/zinc/55/29/57/613552957.db2.gz XGUUTMZRGDPXLZ-CABCVRRESA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000981960710 613552958 /nfs/dbraw/zinc/55/29/58/613552958.db2.gz XGUUTMZRGDPXLZ-CABCVRRESA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981960710 613552959 /nfs/dbraw/zinc/55/29/59/613552959.db2.gz XGUUTMZRGDPXLZ-CABCVRRESA-N 2 1 277.412 0.742 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979077471 613560617 /nfs/dbraw/zinc/56/06/17/613560617.db2.gz CYIKQKWCFTVYAL-ZQDZILKHSA-N 2 1 277.412 0.808 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979077471 613560619 /nfs/dbraw/zinc/56/06/19/613560619.db2.gz CYIKQKWCFTVYAL-ZQDZILKHSA-N 2 1 277.412 0.808 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979077471 613560621 /nfs/dbraw/zinc/56/06/21/613560621.db2.gz CYIKQKWCFTVYAL-ZQDZILKHSA-N 2 1 277.412 0.808 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000971784930 613617348 /nfs/dbraw/zinc/61/73/48/613617348.db2.gz NXEUPHNPOLRHSH-MGPQQGTHSA-N 2 1 281.400 0.424 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000971784930 613617350 /nfs/dbraw/zinc/61/73/50/613617350.db2.gz NXEUPHNPOLRHSH-MGPQQGTHSA-N 2 1 281.400 0.424 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971784930 613617352 /nfs/dbraw/zinc/61/73/52/613617352.db2.gz NXEUPHNPOLRHSH-MGPQQGTHSA-N 2 1 281.400 0.424 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971784930 613617354 /nfs/dbraw/zinc/61/73/54/613617354.db2.gz NXEUPHNPOLRHSH-MGPQQGTHSA-N 2 1 281.400 0.424 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959966407 613636941 /nfs/dbraw/zinc/63/69/41/613636941.db2.gz LXAYASCBRUYFOD-ZSAUSMIDSA-N 2 1 275.396 0.396 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000959966407 613636943 /nfs/dbraw/zinc/63/69/43/613636943.db2.gz LXAYASCBRUYFOD-ZSAUSMIDSA-N 2 1 275.396 0.396 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000959966407 613636944 /nfs/dbraw/zinc/63/69/44/613636944.db2.gz LXAYASCBRUYFOD-ZSAUSMIDSA-N 2 1 275.396 0.396 20 30 CCEDMP C=CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981208734 613694911 /nfs/dbraw/zinc/69/49/11/613694911.db2.gz BSFNEUMRBZXDMU-HUUCEWRRSA-N 2 1 293.411 0.570 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000981208734 613694915 /nfs/dbraw/zinc/69/49/15/613694915.db2.gz BSFNEUMRBZXDMU-HUUCEWRRSA-N 2 1 293.411 0.570 20 30 CCEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000981208734 613694919 /nfs/dbraw/zinc/69/49/19/613694919.db2.gz BSFNEUMRBZXDMU-HUUCEWRRSA-N 2 1 293.411 0.570 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155641 613851782 /nfs/dbraw/zinc/85/17/82/613851782.db2.gz XIJHETRKAYJSAJ-LBPRGKRZSA-N 2 1 284.404 0.838 20 30 CCEDMP CN(C)C(=[NH+]C[C@@H]1CCC[N@H+]1CCCO)N(C)C ZINC000849034297 615945062 /nfs/dbraw/zinc/94/50/62/615945062.db2.gz QMDKHVHUXGUHMG-LBPRGKRZSA-N 2 1 256.394 0.312 20 30 CCEDMP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876734628 616207932 /nfs/dbraw/zinc/20/79/32/616207932.db2.gz VLZUXYRCFAKLBU-HOCLYGCPSA-N 2 1 298.390 0.955 20 30 CCEDMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876734628 616207933 /nfs/dbraw/zinc/20/79/33/616207933.db2.gz VLZUXYRCFAKLBU-HOCLYGCPSA-N 2 1 298.390 0.955 20 30 CCEDMP C#CCSCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000178581846 625331788 /nfs/dbraw/zinc/33/17/88/625331788.db2.gz PLMDEOFIOASOPZ-LBPRGKRZSA-N 2 1 268.430 0.741 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001022900969 622843297 /nfs/dbraw/zinc/84/32/97/622843297.db2.gz NPTXMOLORDPWSQ-OKILXGFUSA-N 2 1 295.346 0.751 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292191 622983835 /nfs/dbraw/zinc/98/38/35/622983835.db2.gz RALNPFDYADKOSH-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292191 622983850 /nfs/dbraw/zinc/98/38/50/622983850.db2.gz RALNPFDYADKOSH-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023292191 622983865 /nfs/dbraw/zinc/98/38/65/622983865.db2.gz RALNPFDYADKOSH-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023292191 622983889 /nfs/dbraw/zinc/98/38/89/622983889.db2.gz RALNPFDYADKOSH-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023744877 623125685 /nfs/dbraw/zinc/12/56/85/623125685.db2.gz WICKPWHFMHJIQI-KGLIPLIRSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023744877 623125692 /nfs/dbraw/zinc/12/56/92/623125692.db2.gz WICKPWHFMHJIQI-KGLIPLIRSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023744877 623125698 /nfs/dbraw/zinc/12/56/98/623125698.db2.gz WICKPWHFMHJIQI-KGLIPLIRSA-N 2 1 263.385 0.400 20 30 CCEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])N2CCCCCC2)CC1 ZINC000177745374 623463981 /nfs/dbraw/zinc/46/39/81/623463981.db2.gz TYMKDNJTHBTHCV-UHFFFAOYSA-N 2 1 295.431 0.341 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025818579 623888840 /nfs/dbraw/zinc/88/88/40/623888840.db2.gz QHRSOOKWMBCTBO-OWYFMNJBSA-N 2 1 287.407 0.683 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818579 623888842 /nfs/dbraw/zinc/88/88/42/623888842.db2.gz QHRSOOKWMBCTBO-OWYFMNJBSA-N 2 1 287.407 0.683 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304758861 624488514 /nfs/dbraw/zinc/48/85/14/624488514.db2.gz QOJFGGZLTBBBBH-GFCCVEGCSA-N 3 1 269.437 0.763 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001022202179 624892530 /nfs/dbraw/zinc/89/25/30/624892530.db2.gz SQYUDFPNRBSRHN-FRRDWIJNSA-N 2 1 272.352 0.631 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414486 625873933 /nfs/dbraw/zinc/87/39/33/625873933.db2.gz QNNBGSIZZIJLCA-JKSUJKDBSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001027576662 630768915 /nfs/dbraw/zinc/76/89/15/630768915.db2.gz TWJFNLNOWBLYAR-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001027576662 630768921 /nfs/dbraw/zinc/76/89/21/630768921.db2.gz TWJFNLNOWBLYAR-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001027576662 630768929 /nfs/dbraw/zinc/76/89/29/630768929.db2.gz TWJFNLNOWBLYAR-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000261772880 631581267 /nfs/dbraw/zinc/58/12/67/631581267.db2.gz MYLGIXXLUBMAFU-LBPRGKRZSA-N 2 1 254.378 0.410 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000989450802 633273617 /nfs/dbraw/zinc/27/36/17/633273617.db2.gz PYITVUJGAOMAMQ-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001009595925 650150772 /nfs/dbraw/zinc/15/07/72/650150772.db2.gz QWMUKWNDTMBWSD-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001009595925 650150773 /nfs/dbraw/zinc/15/07/73/650150773.db2.gz QWMUKWNDTMBWSD-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009595925 650150775 /nfs/dbraw/zinc/15/07/75/650150775.db2.gz QWMUKWNDTMBWSD-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009595925 650150779 /nfs/dbraw/zinc/15/07/79/650150779.db2.gz QWMUKWNDTMBWSD-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000170908619 637103702 /nfs/dbraw/zinc/10/37/02/637103702.db2.gz HSTAYAHJJQKCPN-CQSZACIVSA-N 3 1 281.448 0.861 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1(C)C ZINC000995913891 638805203 /nfs/dbraw/zinc/80/52/03/638805203.db2.gz BGYJRLGYOLQREZ-LSDHHAIUSA-N 2 1 287.407 0.544 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1(C)C ZINC000995913891 638805206 /nfs/dbraw/zinc/80/52/06/638805206.db2.gz BGYJRLGYOLQREZ-LSDHHAIUSA-N 2 1 287.407 0.544 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC000996624103 638824578 /nfs/dbraw/zinc/82/45/78/638824578.db2.gz PKRQDRTYDSIYLD-CYBMUJFWSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014471407 650455319 /nfs/dbraw/zinc/45/53/19/650455319.db2.gz WALAGSKWZXITIK-KBPBESRZSA-N 2 1 261.369 0.152 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014471407 650455320 /nfs/dbraw/zinc/45/53/20/650455320.db2.gz WALAGSKWZXITIK-KBPBESRZSA-N 2 1 261.369 0.152 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC=C)C1 ZINC000999398828 638978843 /nfs/dbraw/zinc/97/88/43/638978843.db2.gz PYLOPGVXMWAEFW-CABCVRRESA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC=C)C1 ZINC000999398828 638978845 /nfs/dbraw/zinc/97/88/45/638978845.db2.gz PYLOPGVXMWAEFW-CABCVRRESA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999405767 638980539 /nfs/dbraw/zinc/98/05/39/638980539.db2.gz HWCOLIOGHIXUJJ-HSBZDZAISA-N 2 1 263.385 0.683 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001000519304 639108726 /nfs/dbraw/zinc/10/87/26/639108726.db2.gz UEUJEGIAEQQTBK-HNNXBMFYSA-N 2 1 275.396 0.852 20 30 CCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001000519304 639108724 /nfs/dbraw/zinc/10/87/24/639108724.db2.gz UEUJEGIAEQQTBK-HNNXBMFYSA-N 2 1 275.396 0.852 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001000519304 639108729 /nfs/dbraw/zinc/10/87/29/639108729.db2.gz UEUJEGIAEQQTBK-HNNXBMFYSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001001261899 639263177 /nfs/dbraw/zinc/26/31/77/639263177.db2.gz ALQCYBZEZIDDRR-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002533516 639425453 /nfs/dbraw/zinc/42/54/53/639425453.db2.gz LXURUAFNLZBNET-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002533516 639425458 /nfs/dbraw/zinc/42/54/58/639425458.db2.gz LXURUAFNLZBNET-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003971499 639658578 /nfs/dbraw/zinc/65/85/78/639658578.db2.gz QBGXYERBJUAPIN-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000923330257 640082827 /nfs/dbraw/zinc/08/28/27/640082827.db2.gz BFMUKNACUVNYBW-CYBMUJFWSA-N 2 1 275.352 0.769 20 30 CCEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000801936850 640678102 /nfs/dbraw/zinc/67/81/02/640678102.db2.gz ZQTDQGSHXMSDJZ-OAGGEKHMSA-N 2 1 294.443 0.873 20 30 CCEDMP C[C@H](C#N)OCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000801936850 640678107 /nfs/dbraw/zinc/67/81/07/640678107.db2.gz ZQTDQGSHXMSDJZ-OAGGEKHMSA-N 2 1 294.443 0.873 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655256 650602270 /nfs/dbraw/zinc/60/22/70/650602270.db2.gz MHTPREMISVBDRP-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016252098 650705517 /nfs/dbraw/zinc/70/55/17/650705517.db2.gz YWKKDZGYLDGMSD-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016252098 650705521 /nfs/dbraw/zinc/70/55/21/650705521.db2.gz YWKKDZGYLDGMSD-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016252098 650705527 /nfs/dbraw/zinc/70/55/27/650705527.db2.gz YWKKDZGYLDGMSD-CHWSQXEVSA-N 2 1 251.374 0.705 20 30 CCEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000834490374 642581906 /nfs/dbraw/zinc/58/19/06/642581906.db2.gz UTARMCWSUNVDDL-OWCLPIDISA-N 2 1 298.390 0.879 20 30 CCEDMP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000848460667 643643551 /nfs/dbraw/zinc/64/35/51/643643551.db2.gz MPZMOUFOOYNLKH-OLZOCXBDSA-N 2 1 266.389 0.998 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001019290209 650957856 /nfs/dbraw/zinc/95/78/56/650957856.db2.gz VXITXWUUDMDOJW-IHRRRGAJSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001019820347 651007090 /nfs/dbraw/zinc/00/70/90/651007090.db2.gz HAWLTDLURYCSHG-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001020045651 651031723 /nfs/dbraw/zinc/03/17/23/651031723.db2.gz HJLNHTHACSUSRD-JHJVBQTASA-N 2 1 267.373 0.130 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001020045651 651031724 /nfs/dbraw/zinc/03/17/24/651031724.db2.gz HJLNHTHACSUSRD-JHJVBQTASA-N 2 1 267.373 0.130 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1(C2CC2)CC1 ZINC000130819870 647483791 /nfs/dbraw/zinc/48/37/91/647483791.db2.gz RIXQVPPOOUFBFR-UHFFFAOYSA-N 2 1 280.416 0.803 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001006430255 649369209 /nfs/dbraw/zinc/36/92/09/649369209.db2.gz DTZQGODCNCGETF-HNNXBMFYSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001006430255 649369212 /nfs/dbraw/zinc/36/92/12/649369212.db2.gz DTZQGODCNCGETF-HNNXBMFYSA-N 2 1 293.411 0.263 20 30 CCEDMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000303895479 649826453 /nfs/dbraw/zinc/82/64/53/649826453.db2.gz TWFBFVDHDDZRAO-CYBMUJFWSA-N 2 1 268.405 0.754 20 30 CCEDMP CC(C)CCNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303887540 649826657 /nfs/dbraw/zinc/82/66/57/649826657.db2.gz OLJLXBULVSKDPN-CQSZACIVSA-N 2 1 283.464 0.820 20 30 CCEDMP CC(C)CNC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000303978025 649827653 /nfs/dbraw/zinc/82/76/53/649827653.db2.gz LXIPTDFMKVRLHN-UHFFFAOYSA-N 2 1 269.437 0.574 20 30 CCEDMP CC(C)CNC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000303978025 649827654 /nfs/dbraw/zinc/82/76/54/649827654.db2.gz LXIPTDFMKVRLHN-UHFFFAOYSA-N 2 1 269.437 0.574 20 30 CCEDMP CC(C)CNC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000303978025 649827655 /nfs/dbraw/zinc/82/76/55/649827655.db2.gz LXIPTDFMKVRLHN-UHFFFAOYSA-N 2 1 269.437 0.574 20 30 CCEDMP CC[N@@H+](CCNC(=[NH2+])NCCCN1CCOCC1)C(C)C ZINC000303983032 649827999 /nfs/dbraw/zinc/82/79/99/649827999.db2.gz QTUIQHCMJWEJLG-UHFFFAOYSA-N 2 1 299.463 0.343 20 30 CCEDMP CC[N@H+](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)C(C)C ZINC000303983032 649828000 /nfs/dbraw/zinc/82/80/00/649828000.db2.gz QTUIQHCMJWEJLG-UHFFFAOYSA-N 3 1 299.463 0.343 20 30 CCEDMP CC[N@@H+](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)C(C)C ZINC000303983032 649828001 /nfs/dbraw/zinc/82/80/01/649828001.db2.gz QTUIQHCMJWEJLG-UHFFFAOYSA-N 3 1 299.463 0.343 20 30 CCEDMP CCN(CC)C(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303989583 649828090 /nfs/dbraw/zinc/82/80/90/649828090.db2.gz XQDBJISXBOHNMY-ZDUSSCGKSA-N 2 1 297.447 0.586 20 30 CCEDMP CCCC[N@@H+](C)CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000304750040 649838377 /nfs/dbraw/zinc/83/83/77/649838377.db2.gz IASXGGZJINNVPL-UHFFFAOYSA-N 2 1 299.463 0.345 20 30 CCEDMP C=C(C)COCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000305072986 649841226 /nfs/dbraw/zinc/84/12/26/649841226.db2.gz PHZPDPFXTORDEI-UHFFFAOYSA-N 2 1 284.404 0.206 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001266248089 790323639 /nfs/dbraw/zinc/32/36/39/790323639.db2.gz DKZXDSNZPVBTIN-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266248089 790323654 /nfs/dbraw/zinc/32/36/54/790323654.db2.gz DKZXDSNZPVBTIN-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266248089 790323668 /nfs/dbraw/zinc/32/36/68/790323668.db2.gz DKZXDSNZPVBTIN-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266322221 790505431 /nfs/dbraw/zinc/50/54/31/790505431.db2.gz COGXIXLVBWVEDT-CQSZACIVSA-N 2 1 293.411 0.311 20 30 CCEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266322221 790505440 /nfs/dbraw/zinc/50/54/40/790505440.db2.gz COGXIXLVBWVEDT-CQSZACIVSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266564827 790935630 /nfs/dbraw/zinc/93/56/30/790935630.db2.gz CFOPZAHMCOHRLX-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266564827 790935635 /nfs/dbraw/zinc/93/56/35/790935635.db2.gz CFOPZAHMCOHRLX-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001266564827 790935646 /nfs/dbraw/zinc/93/56/46/790935646.db2.gz CFOPZAHMCOHRLX-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001266619294 791043858 /nfs/dbraw/zinc/04/38/58/791043858.db2.gz HHMNQCHZYONKLD-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001266619294 791043867 /nfs/dbraw/zinc/04/38/67/791043867.db2.gz HHMNQCHZYONKLD-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001266619294 791043877 /nfs/dbraw/zinc/04/38/77/791043877.db2.gz HHMNQCHZYONKLD-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1C ZINC001266897809 791326984 /nfs/dbraw/zinc/32/69/84/791326984.db2.gz SAWUDSDBKVVYSH-UHFFFAOYSA-N 2 1 262.357 0.653 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001267025179 791460396 /nfs/dbraw/zinc/46/03/96/791460396.db2.gz LXHCIYBTXHHCHZ-AWEZNQCLSA-N 2 1 290.367 0.032 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@](C)(O)C=C ZINC001246004777 807113038 /nfs/dbraw/zinc/11/30/38/807113038.db2.gz XKRWFJNQNNODRV-JSGCOSHPSA-N 2 1 270.373 0.740 20 30 CCEDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CCCCC#N)C[C@H]21 ZINC001277951997 806451796 /nfs/dbraw/zinc/45/17/96/806451796.db2.gz RSLOOHVCTQCCKF-CABCVRRESA-N 2 1 280.416 0.627 20 30 CCEDMP C[N@H+]1CCCN(CCC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC001120574944 798873608 /nfs/dbraw/zinc/87/36/08/798873608.db2.gz TYFUOWMHJNMLEW-OAHLLOKOSA-N 2 1 296.459 0.904 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001122078995 799138221 /nfs/dbraw/zinc/13/82/21/799138221.db2.gz FASOGUFQWQVZHF-CQSZACIVSA-N 2 1 263.385 0.447 20 30 CCEDMP C#CC[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001122078991 799138369 /nfs/dbraw/zinc/13/83/69/799138369.db2.gz FASOGUFQWQVZHF-AWEZNQCLSA-N 2 1 263.385 0.447 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150796301 800368345 /nfs/dbraw/zinc/36/83/45/800368345.db2.gz TVRAZYKIPUEGLW-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150796301 800368349 /nfs/dbraw/zinc/36/83/49/800368349.db2.gz TVRAZYKIPUEGLW-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150796301 800368358 /nfs/dbraw/zinc/36/83/58/800368358.db2.gz TVRAZYKIPUEGLW-OAHLLOKOSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001153864526 800680834 /nfs/dbraw/zinc/68/08/34/800680834.db2.gz WVNWLRUENCMHJF-CVEARBPZSA-N 2 1 289.423 0.934 20 30 CCEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001153864526 800680837 /nfs/dbraw/zinc/68/08/37/800680837.db2.gz WVNWLRUENCMHJF-CVEARBPZSA-N 2 1 289.423 0.934 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001153864526 800680842 /nfs/dbraw/zinc/68/08/42/800680842.db2.gz WVNWLRUENCMHJF-CVEARBPZSA-N 2 1 289.423 0.934 20 30 CCEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001153864526 800680846 /nfs/dbraw/zinc/68/08/46/800680846.db2.gz WVNWLRUENCMHJF-CVEARBPZSA-N 2 1 289.423 0.934 20 30 CCEDMP C[NH2+][C@@H]1CCN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001156638530 801204683 /nfs/dbraw/zinc/20/46/83/801204683.db2.gz MCCUFAAILUQQNX-ZDUSSCGKSA-N 2 1 257.341 0.745 20 30 CCEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001156901654 801259502 /nfs/dbraw/zinc/25/95/02/801259502.db2.gz RQCQNQOAVKLVJO-LSDHHAIUSA-N 2 1 297.443 0.967 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001159335182 801794935 /nfs/dbraw/zinc/79/49/35/801794935.db2.gz UORDUBSGLFSDSV-CQSZACIVSA-N 2 1 265.401 0.980 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161042404 802074609 /nfs/dbraw/zinc/07/46/09/802074609.db2.gz QMZRUZKZBFVNRG-CQSZACIVSA-N 2 1 283.416 0.769 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001162663274 802383821 /nfs/dbraw/zinc/38/38/21/802383821.db2.gz OWRYCXRBOBCTME-UHFFFAOYSA-N 2 1 288.395 0.881 20 30 CCEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163940926 802637809 /nfs/dbraw/zinc/63/78/09/802637809.db2.gz SGKITERVFWUJFG-CQSZACIVSA-N 2 1 295.427 0.769 20 30 CCEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940926 802637813 /nfs/dbraw/zinc/63/78/13/802637813.db2.gz SGKITERVFWUJFG-CQSZACIVSA-N 2 1 295.427 0.769 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166692412 802939633 /nfs/dbraw/zinc/93/96/33/802939633.db2.gz PHUZAWYONXUBLB-QWHCGFSZSA-N 2 1 253.390 0.856 20 30 CCEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166694883 802941252 /nfs/dbraw/zinc/94/12/52/802941252.db2.gz YIVUWVOZKLJQCB-KBPBESRZSA-N 2 1 283.416 0.483 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001276448697 803071809 /nfs/dbraw/zinc/07/18/09/803071809.db2.gz YZNNFHBHUGPFGO-LBPRGKRZSA-N 2 1 253.390 0.951 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001205704207 803160883 /nfs/dbraw/zinc/16/08/83/803160883.db2.gz XAFGJUIOTFOYCC-UHFFFAOYSA-N 2 1 274.368 0.653 20 30 CCEDMP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205967112 803193313 /nfs/dbraw/zinc/19/33/13/803193313.db2.gz JPBRMSWZKZOEGG-HZPDHXFCSA-N 2 1 288.395 0.930 20 30 CCEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205967112 803193317 /nfs/dbraw/zinc/19/33/17/803193317.db2.gz JPBRMSWZKZOEGG-HZPDHXFCSA-N 2 1 288.395 0.930 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206281155 803223113 /nfs/dbraw/zinc/22/31/13/803223113.db2.gz CXKHHAOLCMYJSE-ZFWWWQNUSA-N 2 1 277.412 0.646 20 30 CCEDMP N#CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206511788 803256301 /nfs/dbraw/zinc/25/63/01/803256301.db2.gz BKZQTXPMEBMJNT-JSGCOSHPSA-N 2 1 261.325 0.340 20 30 CCEDMP N#CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206511788 803256305 /nfs/dbraw/zinc/25/63/05/803256305.db2.gz BKZQTXPMEBMJNT-JSGCOSHPSA-N 2 1 261.325 0.340 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001206872375 803297526 /nfs/dbraw/zinc/29/75/26/803297526.db2.gz ASGCOLBFHLMJBM-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001276586654 803546217 /nfs/dbraw/zinc/54/62/17/803546217.db2.gz MWEDCPZJAPMAIQ-ZDUSSCGKSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001276586654 803546220 /nfs/dbraw/zinc/54/62/20/803546220.db2.gz MWEDCPZJAPMAIQ-ZDUSSCGKSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001276640183 803601351 /nfs/dbraw/zinc/60/13/51/803601351.db2.gz AAARCNNGOUGHRB-ZIAGYGMSSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213338013 803690299 /nfs/dbraw/zinc/69/02/99/803690299.db2.gz MWVUXGHXFFXESH-CHWSQXEVSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213338013 803690302 /nfs/dbraw/zinc/69/03/02/803690302.db2.gz MWVUXGHXFFXESH-CHWSQXEVSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388783 803737719 /nfs/dbraw/zinc/73/77/19/803737719.db2.gz KHRNQQYFRRKSOL-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388783 803737722 /nfs/dbraw/zinc/73/77/22/803737722.db2.gz KHRNQQYFRRKSOL-MGPQQGTHSA-N 2 1 281.400 0.330 20 30 CCEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000402125694 803813252 /nfs/dbraw/zinc/81/32/52/803813252.db2.gz CNSNTVKDEZZRHD-JSGCOSHPSA-N 2 1 275.352 0.579 20 30 CCEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219055100 804188350 /nfs/dbraw/zinc/18/83/50/804188350.db2.gz WMTVQYXRORSIAN-LSDHHAIUSA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227163 804542250 /nfs/dbraw/zinc/54/22/50/804542250.db2.gz KBDBFRYOUWVORV-KGLIPLIRSA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688561 804650514 /nfs/dbraw/zinc/65/05/14/804650514.db2.gz KEFSIMMQTDEXOV-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220688561 804650510 /nfs/dbraw/zinc/65/05/10/804650510.db2.gz KEFSIMMQTDEXOV-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688561 804650515 /nfs/dbraw/zinc/65/05/15/804650515.db2.gz KEFSIMMQTDEXOV-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCN1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220823829 804674809 /nfs/dbraw/zinc/67/48/09/804674809.db2.gz DXCZUQHQDNXATK-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220823829 804674811 /nfs/dbraw/zinc/67/48/11/804674811.db2.gz DXCZUQHQDNXATK-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220823829 804674814 /nfs/dbraw/zinc/67/48/14/804674814.db2.gz DXCZUQHQDNXATK-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220823829 804674816 /nfs/dbraw/zinc/67/48/16/804674816.db2.gz DXCZUQHQDNXATK-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220823829 804674818 /nfs/dbraw/zinc/67/48/18/804674818.db2.gz DXCZUQHQDNXATK-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091721 804730747 /nfs/dbraw/zinc/73/07/47/804730747.db2.gz VKZMKPAFOFRZQT-OLZOCXBDSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091721 804730749 /nfs/dbraw/zinc/73/07/49/804730749.db2.gz VKZMKPAFOFRZQT-OLZOCXBDSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091721 804730752 /nfs/dbraw/zinc/73/07/52/804730752.db2.gz VKZMKPAFOFRZQT-OLZOCXBDSA-N 2 1 269.389 0.064 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001276910343 804984964 /nfs/dbraw/zinc/98/49/64/804984964.db2.gz YLJWNILJUGCUGO-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001276910343 804984966 /nfs/dbraw/zinc/98/49/66/804984966.db2.gz YLJWNILJUGCUGO-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001224546971 805048823 /nfs/dbraw/zinc/04/88/23/805048823.db2.gz USMNTBRXQOARPS-AWEZNQCLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001224546972 805049005 /nfs/dbraw/zinc/04/90/05/805049005.db2.gz USMNTBRXQOARPS-CQSZACIVSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001277094240 805187883 /nfs/dbraw/zinc/18/78/83/805187883.db2.gz PEDJZOYRMDOPLX-KBPBESRZSA-N 2 1 275.396 0.875 20 30 CCEDMP C#CCCN1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC001246348278 807228481 /nfs/dbraw/zinc/22/84/81/807228481.db2.gz VPWZOCQXCFXQLZ-IZGVIRRGSA-N 2 1 275.396 0.873 20 30 CCEDMP C[C@@H]1C[N@H+]([C@@H]2CCN[C@H](C#N)C2)CCC[C@H]1C[NH3+] ZINC001246563939 807292465 /nfs/dbraw/zinc/29/24/65/807292465.db2.gz WCXVQEFNUGWSTO-ZOBORPQBSA-N 2 1 250.390 0.937 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001251634707 807691070 /nfs/dbraw/zinc/69/10/70/807691070.db2.gz IFAVMPJAFKDHEG-MELADBBJSA-N 2 1 278.400 0.191 20 30 CCEDMP C#CCOC[C@H](O)C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001251842293 807716856 /nfs/dbraw/zinc/71/68/56/807716856.db2.gz ARQCSHYWZKYRRG-CYBMUJFWSA-N 2 1 295.383 0.127 20 30 CCEDMP C[N@H+]1CCCN(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254642483 808268976 /nfs/dbraw/zinc/26/89/76/808268976.db2.gz HXWWPSNKZKAGKJ-ZIAGYGMSSA-N 2 1 250.390 0.906 20 30 CCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001278906845 808460745 /nfs/dbraw/zinc/46/07/45/808460745.db2.gz FKIGPBWAMMLUIU-AWEZNQCLSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001278906845 808460750 /nfs/dbraw/zinc/46/07/50/808460750.db2.gz FKIGPBWAMMLUIU-AWEZNQCLSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CCCC[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC001263098021 809441704 /nfs/dbraw/zinc/44/17/04/809441704.db2.gz PRVHWLZHELGLSL-GFCCVEGCSA-N 2 1 250.346 0.991 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001264403192 809652090 /nfs/dbraw/zinc/65/20/90/809652090.db2.gz HNBPQAVNQOMQAY-MCIONIFRSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CCC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001265378407 809768263 /nfs/dbraw/zinc/76/82/63/809768263.db2.gz LBQDMNDHXJXXFL-UKRRQHHQSA-N 2 1 277.412 0.836 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001265783004 809851551 /nfs/dbraw/zinc/85/15/51/809851551.db2.gz FVOPZMLHXJMSKI-ZDUSSCGKSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265925040 809896244 /nfs/dbraw/zinc/89/62/44/809896244.db2.gz IJPQMMPGXHLRJX-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001267281190 811088899 /nfs/dbraw/zinc/08/88/99/811088899.db2.gz JWIJXXLUYNEPJX-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001268098832 812257398 /nfs/dbraw/zinc/25/73/98/812257398.db2.gz JFRNUZATCGWDIV-ZDUSSCGKSA-N 2 1 253.390 0.786 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001268322781 812487904 /nfs/dbraw/zinc/48/79/04/812487904.db2.gz ZPHHSNJKKYDNMA-LSDHHAIUSA-N 2 1 297.443 0.751 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207684823 812562192 /nfs/dbraw/zinc/56/21/92/812562192.db2.gz UGHFWEFCMZLUMA-ZIAGYGMSSA-N 2 1 263.385 0.685 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001028329099 812622486 /nfs/dbraw/zinc/62/24/86/812622486.db2.gz GEWBSDPWJLNVIC-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001028329099 812622492 /nfs/dbraw/zinc/62/24/92/812622492.db2.gz GEWBSDPWJLNVIC-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329099 812622496 /nfs/dbraw/zinc/62/24/96/812622496.db2.gz GEWBSDPWJLNVIC-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329099 812622500 /nfs/dbraw/zinc/62/25/00/812622500.db2.gz GEWBSDPWJLNVIC-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001028551334 812830035 /nfs/dbraw/zinc/83/00/35/812830035.db2.gz MMYGSPYGSLYOTF-SOUVJXGZSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028551334 812830042 /nfs/dbraw/zinc/83/00/42/812830042.db2.gz MMYGSPYGSLYOTF-SOUVJXGZSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028544580 812832859 /nfs/dbraw/zinc/83/28/59/812832859.db2.gz GFOAVYHXSUFHRG-GDBMZVCRSA-N 2 1 289.423 0.790 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC001028603693 812964793 /nfs/dbraw/zinc/96/47/93/812964793.db2.gz HKYBSODVMQCKME-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC001028603693 812964799 /nfs/dbraw/zinc/96/47/99/812964799.db2.gz HKYBSODVMQCKME-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC)C1 ZINC001028603693 812964808 /nfs/dbraw/zinc/96/48/08/812964808.db2.gz HKYBSODVMQCKME-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC)C1 ZINC001028603693 812964818 /nfs/dbraw/zinc/96/48/18/812964818.db2.gz HKYBSODVMQCKME-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028630009 813006445 /nfs/dbraw/zinc/00/64/45/813006445.db2.gz WNSOKWKNDNNNDQ-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028630009 813006455 /nfs/dbraw/zinc/00/64/55/813006455.db2.gz WNSOKWKNDNNNDQ-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028630009 813006464 /nfs/dbraw/zinc/00/64/64/813006464.db2.gz WNSOKWKNDNNNDQ-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028630009 813006473 /nfs/dbraw/zinc/00/64/73/813006473.db2.gz WNSOKWKNDNNNDQ-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268700047 813018129 /nfs/dbraw/zinc/01/81/29/813018129.db2.gz CVNWBCITSVJLDO-JSGCOSHPSA-N 2 1 288.395 0.872 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038399195 813069401 /nfs/dbraw/zinc/06/94/01/813069401.db2.gz LBIRUXAEWGEQFF-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038399195 813069408 /nfs/dbraw/zinc/06/94/08/813069408.db2.gz LBIRUXAEWGEQFF-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038399195 813069416 /nfs/dbraw/zinc/06/94/16/813069416.db2.gz LBIRUXAEWGEQFF-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038399195 813069425 /nfs/dbraw/zinc/06/94/25/813069425.db2.gz LBIRUXAEWGEQFF-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP COCC#CC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001268901076 813138915 /nfs/dbraw/zinc/13/89/15/813138915.db2.gz YAYRJHYTNBNJPI-HNNXBMFYSA-N 2 1 295.427 0.270 20 30 CCEDMP C#CC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268914791 813145784 /nfs/dbraw/zinc/14/57/84/813145784.db2.gz FPCHPOXWYNBDMR-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001269416021 813363392 /nfs/dbraw/zinc/36/33/92/813363392.db2.gz OPTVUYBXNLKIAM-QWHCGFSZSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028776660 813486232 /nfs/dbraw/zinc/48/62/32/813486232.db2.gz RSVLHHJUDRJWMV-CYBMUJFWSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001270051618 813603070 /nfs/dbraw/zinc/60/30/70/813603070.db2.gz ZJQZFUVBVVXSEJ-RBSFLKMASA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001028997760 813740382 /nfs/dbraw/zinc/74/03/82/813740382.db2.gz ZKPBEGVABNRVCG-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001028997760 813740386 /nfs/dbraw/zinc/74/03/86/813740386.db2.gz ZKPBEGVABNRVCG-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001028997760 813740389 /nfs/dbraw/zinc/74/03/89/813740389.db2.gz ZKPBEGVABNRVCG-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028997760 813740390 /nfs/dbraw/zinc/74/03/90/813740390.db2.gz ZKPBEGVABNRVCG-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028997760 813740394 /nfs/dbraw/zinc/74/03/94/813740394.db2.gz ZKPBEGVABNRVCG-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001270389612 813742417 /nfs/dbraw/zinc/74/24/17/813742417.db2.gz ULLQWZMGKTYEMX-HUUCEWRRSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001270389612 813742422 /nfs/dbraw/zinc/74/24/22/813742422.db2.gz ULLQWZMGKTYEMX-HUUCEWRRSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCF)C2)CC1 ZINC001029003256 813746502 /nfs/dbraw/zinc/74/65/02/813746502.db2.gz JSQUIGXUCWPMAP-CQSZACIVSA-N 2 1 295.402 0.739 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC ZINC001270995403 814111162 /nfs/dbraw/zinc/11/11/62/814111162.db2.gz JZRXMTAPLKYDKI-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC ZINC001270995403 814111167 /nfs/dbraw/zinc/11/11/67/814111167.db2.gz JZRXMTAPLKYDKI-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087828137 814226444 /nfs/dbraw/zinc/22/64/44/814226444.db2.gz BGJYIFOQSBLIJS-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087828137 814226449 /nfs/dbraw/zinc/22/64/49/814226449.db2.gz BGJYIFOQSBLIJS-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087828137 814226454 /nfs/dbraw/zinc/22/64/54/814226454.db2.gz BGJYIFOQSBLIJS-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001271160681 814252716 /nfs/dbraw/zinc/25/27/16/814252716.db2.gz XKUPSWJJDVBECD-UKRRQHHQSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001271160681 814252722 /nfs/dbraw/zinc/25/27/22/814252722.db2.gz XKUPSWJJDVBECD-UKRRQHHQSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001271160681 814252731 /nfs/dbraw/zinc/25/27/31/814252731.db2.gz XKUPSWJJDVBECD-UKRRQHHQSA-N 2 1 281.400 0.210 20 30 CCEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168135694 814716608 /nfs/dbraw/zinc/71/66/08/814716608.db2.gz BTKSZTHZDDDZEM-CQSZACIVSA-N 2 1 277.412 0.838 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168136002 814717177 /nfs/dbraw/zinc/71/71/77/814717177.db2.gz DSXPKSMWMPTYMU-ZDUSSCGKSA-N 2 1 263.385 0.447 20 30 CCEDMP C=CC[NH2+]CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001168391091 815739530 /nfs/dbraw/zinc/73/95/30/815739530.db2.gz KXVJZXFTWGHPNS-UHFFFAOYSA-N 2 1 283.416 0.771 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001030892381 816401671 /nfs/dbraw/zinc/40/16/71/816401671.db2.gz CFORLWCPOYHYAU-UHFFFAOYSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257370 816493363 /nfs/dbraw/zinc/49/33/63/816493363.db2.gz XYAIJVWRINVUGO-QWHCGFSZSA-N 2 1 251.374 0.753 20 30 CCEDMP C=C(C)CN1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780587 817625723 /nfs/dbraw/zinc/62/57/23/817625723.db2.gz DJDCONJUZWXVBE-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780587 817625730 /nfs/dbraw/zinc/62/57/30/817625730.db2.gz DJDCONJUZWXVBE-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780587 817625738 /nfs/dbraw/zinc/62/57/38/817625738.db2.gz DJDCONJUZWXVBE-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780587 817625755 /nfs/dbraw/zinc/62/57/55/817625755.db2.gz DJDCONJUZWXVBE-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001077675838 817980157 /nfs/dbraw/zinc/98/01/57/817980157.db2.gz ZZMXLJWZVVKRBO-RRFJBIMHSA-N 2 1 295.427 0.598 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001078811920 818055914 /nfs/dbraw/zinc/05/59/14/818055914.db2.gz BHYLUZAIBGAMLZ-ZIAGYGMSSA-N 2 1 286.379 0.842 20 30 CCEDMP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272955514 818125685 /nfs/dbraw/zinc/12/56/85/818125685.db2.gz RFBJYGIGBIAGNC-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033839846 818963763 /nfs/dbraw/zinc/96/37/63/818963763.db2.gz WCZNRNADENTVKO-QLFBSQMISA-N 2 1 277.412 0.883 20 30 CCEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034149690 819098012 /nfs/dbraw/zinc/09/80/12/819098012.db2.gz ZFXWIZZHHLJPDD-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034149690 819098018 /nfs/dbraw/zinc/09/80/18/819098018.db2.gz ZFXWIZZHHLJPDD-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149690 819098026 /nfs/dbraw/zinc/09/80/26/819098026.db2.gz ZFXWIZZHHLJPDD-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149690 819098032 /nfs/dbraw/zinc/09/80/32/819098032.db2.gz ZFXWIZZHHLJPDD-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034535816 819233940 /nfs/dbraw/zinc/23/39/40/819233940.db2.gz VYCAHZCTQAHYTK-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535816 819233945 /nfs/dbraw/zinc/23/39/45/819233945.db2.gz VYCAHZCTQAHYTK-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535816 819233950 /nfs/dbraw/zinc/23/39/50/819233950.db2.gz VYCAHZCTQAHYTK-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535816 819233955 /nfs/dbraw/zinc/23/39/55/819233955.db2.gz VYCAHZCTQAHYTK-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182389 820088079 /nfs/dbraw/zinc/08/80/79/820088079.db2.gz GOTRWWADDCQVAI-HNNXBMFYSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082095977 820894083 /nfs/dbraw/zinc/89/40/83/820894083.db2.gz RVLTYYXSNJHLEB-HUUCEWRRSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001082372258 820951970 /nfs/dbraw/zinc/95/19/70/820951970.db2.gz ZELDLDCJDOXNET-ZIAGYGMSSA-N 2 1 292.383 0.583 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001082372258 820951975 /nfs/dbraw/zinc/95/19/75/820951975.db2.gz ZELDLDCJDOXNET-ZIAGYGMSSA-N 2 1 292.383 0.583 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082458621 820981991 /nfs/dbraw/zinc/98/19/91/820981991.db2.gz XFXCXZPGXQMBJS-MCIONIFRSA-N 2 1 281.400 0.330 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082458621 820981995 /nfs/dbraw/zinc/98/19/95/820981995.db2.gz XFXCXZPGXQMBJS-MCIONIFRSA-N 2 1 281.400 0.330 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085203826 821615024 /nfs/dbraw/zinc/61/50/24/821615024.db2.gz DTFBMAKIWXDLAD-KBUPBQIOSA-N 2 1 277.412 0.977 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085606157 821844899 /nfs/dbraw/zinc/84/48/99/821844899.db2.gz FHGGXNDPVKDSCL-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085606157 821844910 /nfs/dbraw/zinc/84/49/10/821844910.db2.gz FHGGXNDPVKDSCL-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085606157 821844916 /nfs/dbraw/zinc/84/49/16/821844916.db2.gz FHGGXNDPVKDSCL-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085606157 821844927 /nfs/dbraw/zinc/84/49/27/821844927.db2.gz FHGGXNDPVKDSCL-RBSFLKMASA-N 2 1 277.412 0.883 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001086045497 822089153 /nfs/dbraw/zinc/08/91/53/822089153.db2.gz LCFOTCVWYIDDLZ-XQQFMLRXSA-N 2 1 251.374 0.751 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129326770 822127085 /nfs/dbraw/zinc/12/70/85/822127085.db2.gz CRJVZTRDELYEDE-HNNXBMFYSA-N 2 1 295.427 0.320 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086456491 822265362 /nfs/dbraw/zinc/26/53/62/822265362.db2.gz JICKKQWVTRCXKD-KKUMJFAQSA-N 2 1 293.411 0.213 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130189085 837720539 /nfs/dbraw/zinc/72/05/39/837720539.db2.gz NCWUQHIPQXPLNG-UONOGXRCSA-N 2 1 263.385 0.732 20 30 CCEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169983436 836628703 /nfs/dbraw/zinc/62/87/03/836628703.db2.gz UGAXAYNPHQEVEI-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169983436 836628707 /nfs/dbraw/zinc/62/87/07/836628707.db2.gz UGAXAYNPHQEVEI-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCCCN1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001113658454 837189321 /nfs/dbraw/zinc/18/93/21/837189321.db2.gz WGFPVORKWFNVHG-HNNXBMFYSA-N 2 1 295.427 0.818 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130711101 837900776 /nfs/dbraw/zinc/90/07/76/837900776.db2.gz NKMWPWDWVVXUGB-HNNXBMFYSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132272799 838352289 /nfs/dbraw/zinc/35/22/89/838352289.db2.gz BSPPTTVAFXBVTP-OLZOCXBDSA-N 2 1 251.374 0.540 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886065 838511210 /nfs/dbraw/zinc/51/12/10/838511210.db2.gz BESYGBWCYQPCHM-STQMWFEESA-N 2 1 253.390 0.999 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886456 838513432 /nfs/dbraw/zinc/51/34/32/838513432.db2.gz NCNGFORFFVDKEU-STQMWFEESA-N 2 1 251.374 0.446 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133853637 838740581 /nfs/dbraw/zinc/74/05/81/838740581.db2.gz MZQUXIRGZSAGBG-JTQLQIEISA-N 2 1 259.781 0.787 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133862735 838753142 /nfs/dbraw/zinc/75/31/42/838753142.db2.gz FRVHYEQVBZUOHV-STQMWFEESA-N 2 1 269.389 0.093 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135305502 839203870 /nfs/dbraw/zinc/20/38/70/839203870.db2.gz XQUMZXZYAMWCMB-UHFFFAOYSA-N 2 1 294.399 0.880 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659014 844442016 /nfs/dbraw/zinc/44/20/16/844442016.db2.gz BIYVZMMZCXYLHW-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185692493 844447024 /nfs/dbraw/zinc/44/70/24/844447024.db2.gz UWMHBPKXTAEQEF-ZFWWWQNUSA-N 2 1 288.395 0.899 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC001136649943 839692685 /nfs/dbraw/zinc/69/26/85/839692685.db2.gz KIOJIUGKZCFWHZ-UHFFFAOYSA-N 2 1 296.459 0.589 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001136649943 839692688 /nfs/dbraw/zinc/69/26/88/839692688.db2.gz KIOJIUGKZCFWHZ-UHFFFAOYSA-N 2 1 296.459 0.589 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC=C)C[C@H]1C ZINC001092689911 841063504 /nfs/dbraw/zinc/06/35/04/841063504.db2.gz RFRYQZCXCAKVOX-OAGGEKHMSA-N 2 1 289.423 0.954 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC=C)C[C@H]1C ZINC001092689911 841063516 /nfs/dbraw/zinc/06/35/16/841063516.db2.gz RFRYQZCXCAKVOX-OAGGEKHMSA-N 2 1 289.423 0.954 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC=C)C[C@H]1C ZINC001092689911 841063528 /nfs/dbraw/zinc/06/35/28/841063528.db2.gz RFRYQZCXCAKVOX-OAGGEKHMSA-N 2 1 289.423 0.954 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC=C)C[C@H]1C ZINC001092689911 841063540 /nfs/dbraw/zinc/06/35/40/841063540.db2.gz RFRYQZCXCAKVOX-OAGGEKHMSA-N 2 1 289.423 0.954 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178355767 842830221 /nfs/dbraw/zinc/83/02/21/842830221.db2.gz BUSQZPYXGYTGEU-SOUVJXGZSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001179976142 843088500 /nfs/dbraw/zinc/08/85/00/843088500.db2.gz IQBSMOFBRIDEKW-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180138925 843106391 /nfs/dbraw/zinc/10/63/91/843106391.db2.gz RMGYNLFLUYBRHH-KKUMJFAQSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC001182602328 843874691 /nfs/dbraw/zinc/87/46/91/843874691.db2.gz AYFPFYGTQGBRKC-LBPRGKRZSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC001182602328 843874701 /nfs/dbraw/zinc/87/47/01/843874701.db2.gz AYFPFYGTQGBRKC-LBPRGKRZSA-N 2 1 251.374 0.847 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189819939 845216314 /nfs/dbraw/zinc/21/63/14/845216314.db2.gz GDNLNJXRPNLCEP-LSDHHAIUSA-N 2 1 293.411 0.121 20 30 CCEDMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001192386862 845835310 /nfs/dbraw/zinc/83/53/10/845835310.db2.gz SGYHUDBMSVTKFS-CABCVRRESA-N 2 1 295.427 0.509 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001197914573 847002152 /nfs/dbraw/zinc/00/21/52/847002152.db2.gz XWSNYQAEGUYQQS-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)C[NH+](C)CCC)CC1 ZINC001197914573 847002164 /nfs/dbraw/zinc/00/21/64/847002164.db2.gz XWSNYQAEGUYQQS-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001198004131 847015627 /nfs/dbraw/zinc/01/56/27/847015627.db2.gz VSJPZZMOAPPUPP-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198004131 847015632 /nfs/dbraw/zinc/01/56/32/847015632.db2.gz VSJPZZMOAPPUPP-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198004131 847015635 /nfs/dbraw/zinc/01/56/35/847015635.db2.gz VSJPZZMOAPPUPP-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198048627 847026701 /nfs/dbraw/zinc/02/67/01/847026701.db2.gz XSQGBLSONKOGMM-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198048627 847026711 /nfs/dbraw/zinc/02/67/11/847026711.db2.gz XSQGBLSONKOGMM-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198048627 847026716 /nfs/dbraw/zinc/02/67/16/847026716.db2.gz XSQGBLSONKOGMM-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097804 847042250 /nfs/dbraw/zinc/04/22/50/847042250.db2.gz IAKZBSDFHWLMGV-HNNXBMFYSA-N 2 1 295.427 0.675 20 30 CCEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097804 847042254 /nfs/dbraw/zinc/04/22/54/847042254.db2.gz IAKZBSDFHWLMGV-HNNXBMFYSA-N 2 1 295.427 0.675 20 30 CCEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152551060 847233065 /nfs/dbraw/zinc/23/30/65/847233065.db2.gz LCVWABVHNPPPMK-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152551060 847233072 /nfs/dbraw/zinc/23/30/72/847233072.db2.gz LCVWABVHNPPPMK-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152551060 847233080 /nfs/dbraw/zinc/23/30/80/847233080.db2.gz LCVWABVHNPPPMK-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152551060 847233085 /nfs/dbraw/zinc/23/30/85/847233085.db2.gz LCVWABVHNPPPMK-KGLIPLIRSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059478 847851400 /nfs/dbraw/zinc/85/14/00/847851400.db2.gz PWTVOPBPSNZABY-UONOGXRCSA-N 2 1 281.400 0.331 20 30 CCEDMP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001274289894 848441028 /nfs/dbraw/zinc/44/10/28/848441028.db2.gz YKLCWGRERCOHKW-RGDDUWESSA-N 2 1 293.411 0.383 20 30 CCEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001274327102 848453016 /nfs/dbraw/zinc/45/30/16/848453016.db2.gz UBJPUVNKGQFGAK-CQSZACIVSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001274327102 848453020 /nfs/dbraw/zinc/45/30/20/848453020.db2.gz UBJPUVNKGQFGAK-CQSZACIVSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001274841253 848574881 /nfs/dbraw/zinc/57/48/81/848574881.db2.gz QWIUWKUUBVBSMS-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001041714800 850489378 /nfs/dbraw/zinc/48/93/78/850489378.db2.gz RQVQLNJZQUKOTF-INIZCTEOSA-N 2 1 286.379 0.900 20 30 CCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046198243 851417020 /nfs/dbraw/zinc/41/70/20/851417020.db2.gz UCXOEQHOFBCRMW-DZGCQCFKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046198243 851417024 /nfs/dbraw/zinc/41/70/24/851417024.db2.gz UCXOEQHOFBCRMW-DZGCQCFKSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046198243 851417027 /nfs/dbraw/zinc/41/70/27/851417027.db2.gz UCXOEQHOFBCRMW-DZGCQCFKSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046567800 851554341 /nfs/dbraw/zinc/55/43/41/851554341.db2.gz LEAXNSFPOSIRTI-GDBMZVCRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046567800 851554351 /nfs/dbraw/zinc/55/43/51/851554351.db2.gz LEAXNSFPOSIRTI-GDBMZVCRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567800 851554359 /nfs/dbraw/zinc/55/43/59/851554359.db2.gz LEAXNSFPOSIRTI-GDBMZVCRSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567800 851554367 /nfs/dbraw/zinc/55/43/67/851554367.db2.gz LEAXNSFPOSIRTI-GDBMZVCRSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046830831 851626385 /nfs/dbraw/zinc/62/63/85/851626385.db2.gz BSIVAXGHPKDTII-UKRRQHHQSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046830831 851626393 /nfs/dbraw/zinc/62/63/93/851626393.db2.gz BSIVAXGHPKDTII-UKRRQHHQSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046830831 851626398 /nfs/dbraw/zinc/62/63/98/851626398.db2.gz BSIVAXGHPKDTII-UKRRQHHQSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047513963 851795867 /nfs/dbraw/zinc/79/58/67/851795867.db2.gz SJPUTEPCVLRFCR-GJZGRUSLSA-N 2 1 295.427 0.408 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627332 851838159 /nfs/dbraw/zinc/83/81/59/851838159.db2.gz OLNXREWLDSYTOM-GJZGRUSLSA-N 2 1 295.427 0.552 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828919 852076019 /nfs/dbraw/zinc/07/60/19/852076019.db2.gz DXZXBHTYCXWZRA-LVQVYYBASA-N 2 1 289.423 0.740 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828919 852076026 /nfs/dbraw/zinc/07/60/26/852076026.db2.gz DXZXBHTYCXWZRA-LVQVYYBASA-N 2 1 289.423 0.740 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828919 852076034 /nfs/dbraw/zinc/07/60/34/852076034.db2.gz DXZXBHTYCXWZRA-LVQVYYBASA-N 2 1 289.423 0.740 20 30 CCEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001048897017 852101860 /nfs/dbraw/zinc/10/18/60/852101860.db2.gz NVUFMEBXLGFPIZ-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048897017 852101864 /nfs/dbraw/zinc/10/18/64/852101864.db2.gz NVUFMEBXLGFPIZ-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048897017 852101868 /nfs/dbraw/zinc/10/18/68/852101868.db2.gz NVUFMEBXLGFPIZ-XHSDSOJGSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)Cn3cncc3C)C[C@H]2C1 ZINC001048938907 852115030 /nfs/dbraw/zinc/11/50/30/852115030.db2.gz UAUZUXSYMWMORA-GASCZTMLSA-N 2 1 286.379 0.605 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001048938907 852115034 /nfs/dbraw/zinc/11/50/34/852115034.db2.gz UAUZUXSYMWMORA-GASCZTMLSA-N 2 1 286.379 0.605 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001048938907 852115039 /nfs/dbraw/zinc/11/50/39/852115039.db2.gz UAUZUXSYMWMORA-GASCZTMLSA-N 2 1 286.379 0.605 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049170641 852182890 /nfs/dbraw/zinc/18/28/90/852182890.db2.gz AFWQPJDVLJJDFA-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049170641 852182894 /nfs/dbraw/zinc/18/28/94/852182894.db2.gz AFWQPJDVLJJDFA-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049170641 852182897 /nfs/dbraw/zinc/18/28/97/852182897.db2.gz AFWQPJDVLJJDFA-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049226996 852197883 /nfs/dbraw/zinc/19/78/83/852197883.db2.gz RJFBHOKLLKCLGQ-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049226996 852197889 /nfs/dbraw/zinc/19/78/89/852197889.db2.gz RJFBHOKLLKCLGQ-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049226996 852197891 /nfs/dbraw/zinc/19/78/91/852197891.db2.gz RJFBHOKLLKCLGQ-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049226996 852197897 /nfs/dbraw/zinc/19/78/97/852197897.db2.gz RJFBHOKLLKCLGQ-QLFBSQMISA-N 2 1 293.411 0.283 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049369479 852243913 /nfs/dbraw/zinc/24/39/13/852243913.db2.gz OXMQSTRJAKQSBK-RRFJBIMHSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001049369479 852243897 /nfs/dbraw/zinc/24/38/97/852243897.db2.gz OXMQSTRJAKQSBK-RRFJBIMHSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049369479 852243903 /nfs/dbraw/zinc/24/39/03/852243903.db2.gz OXMQSTRJAKQSBK-RRFJBIMHSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001049889608 852390296 /nfs/dbraw/zinc/39/02/96/852390296.db2.gz HHSJAKZGHURKRD-RRFJBIMHSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001049889608 852390303 /nfs/dbraw/zinc/39/03/03/852390303.db2.gz HHSJAKZGHURKRD-RRFJBIMHSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001049889608 852390312 /nfs/dbraw/zinc/39/03/12/852390312.db2.gz HHSJAKZGHURKRD-RRFJBIMHSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049906231 852393425 /nfs/dbraw/zinc/39/34/25/852393425.db2.gz QPSPUUWFTDRYMM-LSDHHAIUSA-N 2 1 286.379 0.890 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049906231 852393432 /nfs/dbraw/zinc/39/34/32/852393432.db2.gz QPSPUUWFTDRYMM-LSDHHAIUSA-N 2 1 286.379 0.890 20 30 CCEDMP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001097847047 852631640 /nfs/dbraw/zinc/63/16/40/852631640.db2.gz RUVIXAQWOQSJRD-YJNKXOJESA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001097847047 852631643 /nfs/dbraw/zinc/63/16/43/852631643.db2.gz RUVIXAQWOQSJRD-YJNKXOJESA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001097847047 852631645 /nfs/dbraw/zinc/63/16/45/852631645.db2.gz RUVIXAQWOQSJRD-YJNKXOJESA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001097847047 852631650 /nfs/dbraw/zinc/63/16/50/852631650.db2.gz RUVIXAQWOQSJRD-YJNKXOJESA-N 2 1 275.396 0.825 20 30 CCEDMP C[NH+](C)CCN1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)CCC1=O ZINC001254668571 852904232 /nfs/dbraw/zinc/90/42/32/852904232.db2.gz GVTLGSSDCDEPLH-UONOGXRCSA-N 2 1 278.400 0.775 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001054748509 853008182 /nfs/dbraw/zinc/00/81/82/853008182.db2.gz NOJCRYQLFBKDRX-GXTWGEPZSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072743470 854455783 /nfs/dbraw/zinc/45/57/83/854455783.db2.gz PSXVMWNWOMMSPF-HNNXBMFYSA-N 2 1 287.407 0.496 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001072983506 854509266 /nfs/dbraw/zinc/50/92/66/854509266.db2.gz YNRDCFGZWWOCDZ-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001072983506 854509274 /nfs/dbraw/zinc/50/92/74/854509274.db2.gz YNRDCFGZWWOCDZ-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001072983506 854509281 /nfs/dbraw/zinc/50/92/81/854509281.db2.gz YNRDCFGZWWOCDZ-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073554564 854592315 /nfs/dbraw/zinc/59/23/15/854592315.db2.gz JAGDVIQIZJHYEX-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073554564 854592324 /nfs/dbraw/zinc/59/23/24/854592324.db2.gz JAGDVIQIZJHYEX-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073554564 854592327 /nfs/dbraw/zinc/59/23/27/854592327.db2.gz JAGDVIQIZJHYEX-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073890335 854659952 /nfs/dbraw/zinc/65/99/52/854659952.db2.gz CGXFKCBLUDBWBD-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073890335 854659958 /nfs/dbraw/zinc/65/99/58/854659958.db2.gz CGXFKCBLUDBWBD-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073890335 854659962 /nfs/dbraw/zinc/65/99/62/854659962.db2.gz CGXFKCBLUDBWBD-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099158136 854917726 /nfs/dbraw/zinc/91/77/26/854917726.db2.gz RVTRZSSWSBKPJI-HOCLYGCPSA-N 2 1 286.379 0.795 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099158136 854917738 /nfs/dbraw/zinc/91/77/38/854917738.db2.gz RVTRZSSWSBKPJI-HOCLYGCPSA-N 2 1 286.379 0.795 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099878918 855017485 /nfs/dbraw/zinc/01/74/85/855017485.db2.gz BGRBTJOMOJXXPF-HUUCEWRRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099878918 855017494 /nfs/dbraw/zinc/01/74/94/855017494.db2.gz BGRBTJOMOJXXPF-HUUCEWRRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099878918 855017505 /nfs/dbraw/zinc/01/75/05/855017505.db2.gz BGRBTJOMOJXXPF-HUUCEWRRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131556 855103587 /nfs/dbraw/zinc/10/35/87/855103587.db2.gz FIOHQENQKHXTID-GJZGRUSLSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131556 855103592 /nfs/dbraw/zinc/10/35/92/855103592.db2.gz FIOHQENQKHXTID-GJZGRUSLSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131556 855103597 /nfs/dbraw/zinc/10/35/97/855103597.db2.gz FIOHQENQKHXTID-GJZGRUSLSA-N 2 1 297.443 0.844 20 30 CCEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100185590 855113699 /nfs/dbraw/zinc/11/36/99/855113699.db2.gz HCEGDXSPQBOOOV-YMAMQOFZSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100438017 855168009 /nfs/dbraw/zinc/16/80/09/855168009.db2.gz LEJXZZVYMLCTEP-XSCHDIRWSA-N 2 1 293.411 0.213 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100438017 855168017 /nfs/dbraw/zinc/16/80/17/855168017.db2.gz LEJXZZVYMLCTEP-XSCHDIRWSA-N 2 1 293.411 0.213 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112008027 855609944 /nfs/dbraw/zinc/60/99/44/855609944.db2.gz PGJZNMGFJVTACA-HOCLYGCPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112008027 855609949 /nfs/dbraw/zinc/60/99/49/855609949.db2.gz PGJZNMGFJVTACA-HOCLYGCPSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112008027 855609953 /nfs/dbraw/zinc/60/99/53/855609953.db2.gz PGJZNMGFJVTACA-HOCLYGCPSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115074754 855639719 /nfs/dbraw/zinc/63/97/19/855639719.db2.gz RVMHVGALJOBGRA-IMRBUKKESA-N 2 1 251.374 0.561 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115074754 855639724 /nfs/dbraw/zinc/63/97/24/855639724.db2.gz RVMHVGALJOBGRA-IMRBUKKESA-N 2 1 251.374 0.561 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115074754 855639727 /nfs/dbraw/zinc/63/97/27/855639727.db2.gz RVMHVGALJOBGRA-IMRBUKKESA-N 2 1 251.374 0.561 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115299550 855659647 /nfs/dbraw/zinc/65/96/47/855659647.db2.gz AHQNOHYMIZIVQT-NHAGDIPZSA-N 2 1 265.401 0.949 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115299550 855659651 /nfs/dbraw/zinc/65/96/51/855659651.db2.gz AHQNOHYMIZIVQT-NHAGDIPZSA-N 2 1 265.401 0.949 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115299550 855659653 /nfs/dbraw/zinc/65/96/53/855659653.db2.gz AHQNOHYMIZIVQT-NHAGDIPZSA-N 2 1 265.401 0.949 20 30 CCEDMP C#CCOCC[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC001117933300 856114105 /nfs/dbraw/zinc/11/41/05/856114105.db2.gz YHVCUBWPQFEYDI-UHFFFAOYSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCOCC[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC001117933300 856114108 /nfs/dbraw/zinc/11/41/08/856114108.db2.gz YHVCUBWPQFEYDI-UHFFFAOYSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001492816249 912252633 /nfs/dbraw/zinc/25/26/33/912252633.db2.gz DTBWDAJFXBLJTG-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP COCC#CCN1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001323358371 912290220 /nfs/dbraw/zinc/29/02/20/912290220.db2.gz SHRBQZOYFKKDGK-CQSZACIVSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001323748210 912505311 /nfs/dbraw/zinc/50/53/11/912505311.db2.gz FXZLFSGWYQKAOI-UHFFFAOYSA-N 2 1 295.427 0.511 20 30 CCEDMP CC#CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001325100413 913213808 /nfs/dbraw/zinc/21/38/08/913213808.db2.gz ARTZZIBVDHSANI-INIZCTEOSA-N 2 1 293.411 0.047 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001325161802 913251006 /nfs/dbraw/zinc/25/10/06/913251006.db2.gz QBLKUVPULREDJB-INIZCTEOSA-N 2 1 297.443 0.846 20 30 CCEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001325771733 913570249 /nfs/dbraw/zinc/57/02/49/913570249.db2.gz BGSLJYFPZQPSMK-GASCZTMLSA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001325771733 913570263 /nfs/dbraw/zinc/57/02/63/913570263.db2.gz BGSLJYFPZQPSMK-GASCZTMLSA-N 2 1 277.412 0.742 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001325771733 913570270 /nfs/dbraw/zinc/57/02/70/913570270.db2.gz BGSLJYFPZQPSMK-GASCZTMLSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001480979841 892007704 /nfs/dbraw/zinc/00/77/04/892007704.db2.gz YSJWUEWCNMSQOP-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001480979841 892007680 /nfs/dbraw/zinc/00/76/80/892007680.db2.gz YSJWUEWCNMSQOP-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001480979841 892007695 /nfs/dbraw/zinc/00/76/95/892007695.db2.gz YSJWUEWCNMSQOP-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCCC[NH+]1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001481592903 892877889 /nfs/dbraw/zinc/87/78/89/892877889.db2.gz SWKHGSGPIBIJJY-UHFFFAOYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001482066923 893350563 /nfs/dbraw/zinc/35/05/63/893350563.db2.gz YKIXHINWCKLRCC-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001482066923 893350577 /nfs/dbraw/zinc/35/05/77/893350577.db2.gz YKIXHINWCKLRCC-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#CC ZINC001482299321 893802904 /nfs/dbraw/zinc/80/29/04/893802904.db2.gz YGIPWCHZHIJNKW-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#CC ZINC001482299321 893802931 /nfs/dbraw/zinc/80/29/31/893802931.db2.gz YGIPWCHZHIJNKW-CABCVRRESA-N 2 1 275.396 0.544 20 30 CCEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001482518355 894176253 /nfs/dbraw/zinc/17/62/53/894176253.db2.gz OWPGNAUYWVTLCO-LSDHHAIUSA-N 2 1 295.427 0.461 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001482650099 894448946 /nfs/dbraw/zinc/44/89/46/894448946.db2.gz NOXNMTFIEFLAFT-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483177976 895064020 /nfs/dbraw/zinc/06/40/20/895064020.db2.gz DMLUINRUXZSLFZ-GFCCVEGCSA-N 2 1 283.335 0.608 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484976039 896692385 /nfs/dbraw/zinc/69/23/85/896692385.db2.gz KUELSNUZPLXLKW-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C=CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001485018218 896719959 /nfs/dbraw/zinc/71/99/59/896719959.db2.gz AHHYTKQXDREFOW-ZIAGYGMSSA-N 2 1 295.427 0.456 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC1 ZINC001032453037 897585047 /nfs/dbraw/zinc/58/50/47/897585047.db2.gz NFJXALYSPBTLME-JYJNAYRXSA-N 2 1 287.407 0.779 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC1 ZINC001032453037 897585062 /nfs/dbraw/zinc/58/50/62/897585062.db2.gz NFJXALYSPBTLME-JYJNAYRXSA-N 2 1 287.407 0.779 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC1 ZINC001032453037 897585070 /nfs/dbraw/zinc/58/50/70/897585070.db2.gz NFJXALYSPBTLME-JYJNAYRXSA-N 2 1 287.407 0.779 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC1 ZINC001032453037 897585100 /nfs/dbraw/zinc/58/51/00/897585100.db2.gz NFJXALYSPBTLME-JYJNAYRXSA-N 2 1 287.407 0.779 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602474 897809622 /nfs/dbraw/zinc/80/96/22/897809622.db2.gz RBLDUQABPFQGFQ-KBPBESRZSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602474 897809635 /nfs/dbraw/zinc/80/96/35/897809635.db2.gz RBLDUQABPFQGFQ-KBPBESRZSA-N 2 1 263.385 0.799 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032611799 897823225 /nfs/dbraw/zinc/82/32/25/897823225.db2.gz POQPFZUUHYWGHB-SOUVJXGZSA-N 2 1 277.412 0.881 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032611799 897823229 /nfs/dbraw/zinc/82/32/29/897823229.db2.gz POQPFZUUHYWGHB-SOUVJXGZSA-N 2 1 277.412 0.881 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032734098 898030564 /nfs/dbraw/zinc/03/05/64/898030564.db2.gz WUIYPQDRUVYCEV-KBPBESRZSA-N 2 1 275.396 0.943 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078006016 898175738 /nfs/dbraw/zinc/17/57/38/898175738.db2.gz PTIDKMSYARFBEO-RRFJBIMHSA-N 2 1 295.427 0.456 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001078683839 898450468 /nfs/dbraw/zinc/45/04/68/898450468.db2.gz XHDLPWGUVRHVFX-KBPBESRZSA-N 2 1 286.379 0.842 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001486295067 898763325 /nfs/dbraw/zinc/76/33/25/898763325.db2.gz DPSCCEYPFMUTFA-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001486336306 898797565 /nfs/dbraw/zinc/79/75/65/898797565.db2.gz HWIJMLOUDXGERQ-HUUCEWRRSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001486336306 898797572 /nfs/dbraw/zinc/79/75/72/898797572.db2.gz HWIJMLOUDXGERQ-HUUCEWRRSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001486336306 898797582 /nfs/dbraw/zinc/79/75/82/898797582.db2.gz HWIJMLOUDXGERQ-HUUCEWRRSA-N 2 1 297.443 0.798 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001489002548 900423055 /nfs/dbraw/zinc/42/30/55/900423055.db2.gz KDSLJWNNUPWKLR-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001280660428 900874387 /nfs/dbraw/zinc/87/43/87/900874387.db2.gz XZNONNFDCPFYAH-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110953652 902059612 /nfs/dbraw/zinc/05/96/12/902059612.db2.gz BQVQRMVRKQBDBO-MCIONIFRSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110953652 902059623 /nfs/dbraw/zinc/05/96/23/902059623.db2.gz BQVQRMVRKQBDBO-MCIONIFRSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001280821956 904156938 /nfs/dbraw/zinc/15/69/38/904156938.db2.gz IARVOVUNTPJKIW-AWEZNQCLSA-N 2 1 288.395 0.859 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001282875795 904558213 /nfs/dbraw/zinc/55/82/13/904558213.db2.gz SDHSQAXVHNBCOH-QKDCVEJESA-N 2 1 277.412 0.646 20 30 CCEDMP C=CC[NH2+][C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001283442902 904849354 /nfs/dbraw/zinc/84/93/54/904849354.db2.gz YEBZSDQIHNVJJB-ZIAGYGMSSA-N 2 1 283.416 0.624 20 30 CCEDMP C=CC[NH2+][C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001283442902 904849372 /nfs/dbraw/zinc/84/93/72/904849372.db2.gz YEBZSDQIHNVJJB-ZIAGYGMSSA-N 2 1 283.416 0.624 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001284976098 905516926 /nfs/dbraw/zinc/51/69/26/905516926.db2.gz AVOFBZONHYLNIC-CQSZACIVSA-N 2 1 263.385 0.708 20 30 CCEDMP C#CC[NH2+][C@@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001491578762 907416547 /nfs/dbraw/zinc/41/65/47/907416547.db2.gz HCEJJDVFWJOJSD-LBPRGKRZSA-N 2 1 290.367 0.612 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001491855984 907608175 /nfs/dbraw/zinc/60/81/75/907608175.db2.gz MVXHZGLMDKWCEI-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001491855984 907608184 /nfs/dbraw/zinc/60/81/84/907608184.db2.gz MVXHZGLMDKWCEI-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001317244756 907995394 /nfs/dbraw/zinc/99/53/94/907995394.db2.gz MEMLTULSDPODNF-QWHCGFSZSA-N 2 1 251.374 0.588 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001337482440 908157735 /nfs/dbraw/zinc/15/77/35/908157735.db2.gz SVJFZJSTVFQKHU-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001341643068 908643287 /nfs/dbraw/zinc/64/32/87/908643287.db2.gz LGJMZUZLLHXZFP-YNEHKIRRSA-N 2 1 264.373 0.335 20 30 CCEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC001341642898 908644141 /nfs/dbraw/zinc/64/41/41/908644141.db2.gz LGJMZUZLLHXZFP-FRRDWIJNSA-N 2 1 264.373 0.335 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001317167781 909020758 /nfs/dbraw/zinc/02/07/58/909020758.db2.gz RQVRLTJNDQJJCJ-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001317167781 909020769 /nfs/dbraw/zinc/02/07/69/909020769.db2.gz RQVRLTJNDQJJCJ-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317811773 909508451 /nfs/dbraw/zinc/50/84/51/909508451.db2.gz QLZQUZNVYKQTMU-GJZGRUSLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317811773 909508466 /nfs/dbraw/zinc/50/84/66/909508466.db2.gz QLZQUZNVYKQTMU-GJZGRUSLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317811773 909508480 /nfs/dbraw/zinc/50/84/80/909508480.db2.gz QLZQUZNVYKQTMU-GJZGRUSLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317811774 909508516 /nfs/dbraw/zinc/50/85/16/909508516.db2.gz QLZQUZNVYKQTMU-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317811774 909508531 /nfs/dbraw/zinc/50/85/31/909508531.db2.gz QLZQUZNVYKQTMU-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317811774 909508548 /nfs/dbraw/zinc/50/85/48/909508548.db2.gz QLZQUZNVYKQTMU-HUUCEWRRSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001318429507 909755161 /nfs/dbraw/zinc/75/51/61/909755161.db2.gz RWYQMQXAKVLTOJ-KBPBESRZSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]C(C)C ZINC001318538516 909806774 /nfs/dbraw/zinc/80/67/74/909806774.db2.gz USIYMXIOHULTFD-KBPBESRZSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]C(C)C ZINC001318538516 909806792 /nfs/dbraw/zinc/80/67/92/909806792.db2.gz USIYMXIOHULTFD-KBPBESRZSA-N 2 1 265.401 0.977 20 30 CCEDMP C=CC[NH2+]C[C@H](C)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001319484680 910171225 /nfs/dbraw/zinc/17/12/25/910171225.db2.gz AWXYKCLWUFXEQL-NSHDSACASA-N 2 1 280.372 0.972 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001319915830 910352086 /nfs/dbraw/zinc/35/20/86/910352086.db2.gz LVGJIADIOXIDJM-MCIONIFRSA-N 2 1 265.401 0.690 20 30 CCEDMP CC#CC[NH2+][C@H](CNC(=O)CC[NH+]1CCOCC1)C(C)C ZINC001319956265 910373007 /nfs/dbraw/zinc/37/30/07/910373007.db2.gz RKXFALZIDBOUSK-OAHLLOKOSA-N 2 1 295.427 0.462 20 30 CCEDMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001322451489 911811475 /nfs/dbraw/zinc/81/14/75/911811475.db2.gz CRVYGZAHPGQDEM-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001322451489 911811488 /nfs/dbraw/zinc/81/14/88/911811488.db2.gz CRVYGZAHPGQDEM-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001330087144 916406839 /nfs/dbraw/zinc/40/68/39/916406839.db2.gz XMUVQMNHZYDWAO-GFCCVEGCSA-N 2 1 251.374 0.396 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001330087144 916406832 /nfs/dbraw/zinc/40/68/32/916406832.db2.gz XMUVQMNHZYDWAO-GFCCVEGCSA-N 2 1 251.374 0.396 20 30 CCEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001330360863 916578002 /nfs/dbraw/zinc/57/80/02/916578002.db2.gz UMZJPKKSACXURR-ZQDZILKHSA-N 2 1 275.396 0.255 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330360863 916578010 /nfs/dbraw/zinc/57/80/10/916578010.db2.gz UMZJPKKSACXURR-ZQDZILKHSA-N 2 1 275.396 0.255 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330360863 916578016 /nfs/dbraw/zinc/57/80/16/916578016.db2.gz UMZJPKKSACXURR-ZQDZILKHSA-N 2 1 275.396 0.255 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCC[C@H](C)[NH2+]C ZINC001331454760 917345490 /nfs/dbraw/zinc/34/54/90/917345490.db2.gz AUVLXOVDUVPDOP-LBPRGKRZSA-N 2 1 254.378 0.239 20 30 CCEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001331505260 917377411 /nfs/dbraw/zinc/37/74/11/917377411.db2.gz UXCYVIJGWWLACR-NSHDSACASA-N 2 1 250.346 0.814 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001332679473 918377231 /nfs/dbraw/zinc/37/72/31/918377231.db2.gz ZPJHTQACSQQKQZ-AWEZNQCLSA-N 2 1 295.427 0.409 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001332898892 918515160 /nfs/dbraw/zinc/51/51/60/918515160.db2.gz MNXBQDRQBLOUPP-UONOGXRCSA-N 2 1 295.427 0.461 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001332898892 918515172 /nfs/dbraw/zinc/51/51/72/918515172.db2.gz MNXBQDRQBLOUPP-UONOGXRCSA-N 2 1 295.427 0.461 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001335569118 920282161 /nfs/dbraw/zinc/28/21/61/920282161.db2.gz GEOWRIJYLMZIEO-HNNXBMFYSA-N 2 1 278.400 0.479 20 30 CCEDMP Cn1c[nH+]cc1CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC001335954621 920528753 /nfs/dbraw/zinc/52/87/53/920528753.db2.gz PSFLYXRQYBCJEA-LBPRGKRZSA-N 2 1 250.346 0.853 20 30 CCEDMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC001336763032 920988924 /nfs/dbraw/zinc/98/89/24/920988924.db2.gz LTPWQUIXYAYDKI-OLZOCXBDSA-N 2 1 251.374 0.973 20 30 CCEDMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001336763033 920988984 /nfs/dbraw/zinc/98/89/84/920988984.db2.gz LTPWQUIXYAYDKI-QWHCGFSZSA-N 2 1 251.374 0.973 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001340241925 922021842 /nfs/dbraw/zinc/02/18/42/922021842.db2.gz RRGPXMBOFMXQLU-AWEZNQCLSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[NH2+]CC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC001343432431 923311999 /nfs/dbraw/zinc/31/19/99/923311999.db2.gz RMBZEUJZGVRSFF-UHFFFAOYSA-N 2 1 293.411 0.361 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001343559532 923370793 /nfs/dbraw/zinc/37/07/93/923370793.db2.gz HOJUERVHZGTLSE-KGLIPLIRSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001343559532 923370803 /nfs/dbraw/zinc/37/08/03/923370803.db2.gz HOJUERVHZGTLSE-KGLIPLIRSA-N 2 1 263.385 0.683 20 30 CCEDMP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CCC[NH2+]1 ZINC001344877146 923718581 /nfs/dbraw/zinc/71/85/81/923718581.db2.gz OGZAUYLNHBUURY-MBNYWOFBSA-N 2 1 251.374 0.894 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000192821224 530067849 /nfs/dbraw/zinc/06/78/49/530067849.db2.gz OCIOMUXQIYUECK-KBPBESRZSA-N 2 1 278.400 0.822 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602541224 362666933 /nfs/dbraw/zinc/66/69/33/362666933.db2.gz OLMIDIBDLZXFSJ-UHFFFAOYSA-N 2 1 278.400 0.822 20 30 CCEDMP COCC[N@H+]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594436687 360305955 /nfs/dbraw/zinc/30/59/55/360305955.db2.gz PNJMHSQLGMRHBZ-CQSZACIVSA-N 2 1 296.415 0.578 20 30 CCEDMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594438560 360307278 /nfs/dbraw/zinc/30/72/78/360307278.db2.gz OJZYLBMTEXWXPK-OLZOCXBDSA-N 2 1 282.388 0.235 20 30 CCEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000594440628 360310042 /nfs/dbraw/zinc/31/00/42/360310042.db2.gz HDYPMJJECZGRID-AWEZNQCLSA-N 2 1 278.400 0.952 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000491810867 262086820 /nfs/dbraw/zinc/08/68/20/262086820.db2.gz ALXVMGJNAYIXQA-QWHCGFSZSA-N 2 1 266.389 0.320 20 30 CCEDMP C=CCC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000127033449 389172528 /nfs/dbraw/zinc/17/25/28/389172528.db2.gz OLHJLRIXHDRYJV-OAHLLOKOSA-N 2 1 297.443 0.800 20 30 CCEDMP C[NH+]=C(NCCn1ccnc1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261965268 389278978 /nfs/dbraw/zinc/27/89/78/389278978.db2.gz LGODPCLSUZOJQD-GXTWGEPZSA-N 2 1 290.415 0.531 20 30 CCEDMP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)N1 ZINC000262624979 389290469 /nfs/dbraw/zinc/29/04/69/389290469.db2.gz DGALIJBJYOEYKK-IUODEOHRSA-N 2 1 288.395 0.691 20 30 CCEDMP C[C@@H]1CC[C@H](O)C[NH+]1CC#CC[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000421010495 389347555 /nfs/dbraw/zinc/34/75/55/389347555.db2.gz IXXKXOJHFAHQDG-WCVJEAGWSA-N 2 1 280.412 0.680 20 30 CCEDMP C=CCOCCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000348057850 389364027 /nfs/dbraw/zinc/36/40/27/389364027.db2.gz PUHVZXPYANNNPX-UHFFFAOYSA-N 2 1 295.427 0.819 20 30 CCEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@H]1CC[N@@H+](C)C1 ZINC000176363114 389556404 /nfs/dbraw/zinc/55/64/04/389556404.db2.gz ATBMVORHIAVJHG-CYBMUJFWSA-N 2 1 292.431 0.654 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000491804752 390116987 /nfs/dbraw/zinc/11/69/87/390116987.db2.gz MJAIWIYFUIMLCF-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC000491804752 390116988 /nfs/dbraw/zinc/11/69/88/390116988.db2.gz MJAIWIYFUIMLCF-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC000491804752 390116989 /nfs/dbraw/zinc/11/69/89/390116989.db2.gz MJAIWIYFUIMLCF-ZDUSSCGKSA-N 2 1 251.374 0.400 20 30 CCEDMP C=CC[C@]1(C(=O)NC[C@H]2CC[N@H+](C)C2)CCC[NH2+]1 ZINC000662683109 414740864 /nfs/dbraw/zinc/74/08/64/414740864.db2.gz VTGOFRXUAYXNOO-TZMCWYRMSA-N 2 1 251.374 0.753 20 30 CCEDMP C=CC[C@@]1(C(=O)N2CC[NH2+]C[C@](C)(F)C2)CCC[NH2+]1 ZINC000662782552 414788498 /nfs/dbraw/zinc/78/84/98/414788498.db2.gz DDHYTOJLDXXCMJ-KBPBESRZSA-N 2 1 269.364 0.845 20 30 CCEDMP C=CC[C@]1(C(=O)NCC[N@@H+]2CCCOCC2)CCC[NH2+]1 ZINC000662796737 414803359 /nfs/dbraw/zinc/80/33/59/414803359.db2.gz BUVKPDAJPQZJMJ-OAHLLOKOSA-N 2 1 281.400 0.523 20 30 CCEDMP C=CC[C@]1(C(=O)NCC[N@H+]2CCCOCC2)CCC[NH2+]1 ZINC000662796737 414803363 /nfs/dbraw/zinc/80/33/63/414803363.db2.gz BUVKPDAJPQZJMJ-OAHLLOKOSA-N 2 1 281.400 0.523 20 30 CCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000335008732 545047544 /nfs/dbraw/zinc/04/75/44/545047544.db2.gz MHPVPFNXCDZWBI-HIFRSBDPSA-N 2 1 263.385 0.849 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000335008732 545047545 /nfs/dbraw/zinc/04/75/45/545047545.db2.gz MHPVPFNXCDZWBI-HIFRSBDPSA-N 2 1 263.385 0.849 20 30 CCEDMP CC1(C)C[NH+](CC#CC[N@H+]2C[C@H](O)C(C)(C)C2)C[C@@H]1O ZINC000342181642 263394211 /nfs/dbraw/zinc/39/42/11/263394211.db2.gz ZWYZIDPGDPPLAJ-KBPBESRZSA-N 2 1 280.412 0.395 20 30 CCEDMP C=CCNC(NC[C@]1([NH+](C)C)CCSC1)=[NH+]C ZINC000262421875 328150010 /nfs/dbraw/zinc/15/00/10/328150010.db2.gz FRRXQQSZIPXSIM-GFCCVEGCSA-N 2 1 256.419 0.775 20 30 CCEDMP CN1CC[NH+]=C1NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000262200913 330003932 /nfs/dbraw/zinc/00/39/32/330003932.db2.gz ATYYKTZAGVMYRC-UHFFFAOYSA-N 2 1 293.459 0.828 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262469253 330015291 /nfs/dbraw/zinc/01/52/91/330015291.db2.gz OKCGBZGLYVTSJU-UONOGXRCSA-N 2 1 298.431 0.379 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262487394 330017169 /nfs/dbraw/zinc/01/71/69/330017169.db2.gz VBJLFXFXRTXCLE-NXEZZACHSA-N 2 1 251.334 0.137 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424133071 330265374 /nfs/dbraw/zinc/26/53/74/330265374.db2.gz IVWKWAYAIOQFAQ-NEPJUHHUSA-N 2 1 252.362 0.608 20 30 CCEDMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424133342 330265703 /nfs/dbraw/zinc/26/57/03/330265703.db2.gz LZJVQXFTPHGMLZ-WCQYABFASA-N 2 1 277.372 0.965 20 30 CCEDMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424137631 330275131 /nfs/dbraw/zinc/27/51/31/330275131.db2.gz SJAQXXKXJSKYNP-QWHCGFSZSA-N 2 1 266.389 0.808 20 30 CCEDMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424157116 330304550 /nfs/dbraw/zinc/30/45/50/330304550.db2.gz PGMFLIZHMJUVFX-NEPJUHHUSA-N 2 1 252.362 0.608 20 30 CCEDMP C#CCNC(=O)CC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000491616999 332243860 /nfs/dbraw/zinc/24/38/60/332243860.db2.gz AMYXOXGPDJEOSY-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000491626668 332250391 /nfs/dbraw/zinc/25/03/91/332250391.db2.gz LPUMMGAMACZOGC-ZDUSSCGKSA-N 2 1 268.405 0.581 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000491658338 332269344 /nfs/dbraw/zinc/26/93/44/332269344.db2.gz VZKYYOSCHBYXRW-AWEZNQCLSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000491663676 332272839 /nfs/dbraw/zinc/27/28/39/332272839.db2.gz HEGQJSISRYCLEX-ZIAGYGMSSA-N 2 1 280.416 0.629 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000491671704 332278446 /nfs/dbraw/zinc/27/84/46/332278446.db2.gz XHXMEIGOEVMEPX-HNNXBMFYSA-N 2 1 278.400 0.337 20 30 CCEDMP CC#CCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665762668 545107517 /nfs/dbraw/zinc/10/75/17/545107517.db2.gz MBIJQBYCRZQXAT-ZDUSSCGKSA-N 2 1 268.405 0.581 20 30 CCEDMP CC#CCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665762668 545107518 /nfs/dbraw/zinc/10/75/18/545107518.db2.gz MBIJQBYCRZQXAT-ZDUSSCGKSA-N 2 1 268.405 0.581 20 30 CCEDMP CC[NH+](CC#CC[N@H+](CC)C[C@@H](C)O)C[C@@H](C)O ZINC000352194415 527879380 /nfs/dbraw/zinc/87/93/80/527879380.db2.gz JNJTWJRYVPLSLJ-ZIAGYGMSSA-N 2 1 256.390 0.395 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969699993 612996542 /nfs/dbraw/zinc/99/65/42/612996542.db2.gz MLNDXRXHECNIBV-GZBFAFLISA-N 2 1 277.412 0.786 20 30 CCEDMP C#CCC[NH+]1CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000851872959 613011706 /nfs/dbraw/zinc/01/17/06/613011706.db2.gz OZEHRVIZMABZOR-HNNXBMFYSA-N 2 1 267.417 0.328 20 30 CCEDMP C#CCC[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000809968049 613011625 /nfs/dbraw/zinc/01/16/25/613011625.db2.gz LKACFKLWJLGGJA-OAHLLOKOSA-N 2 1 265.401 0.082 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000863558155 613078760 /nfs/dbraw/zinc/07/87/60/613078760.db2.gz XHZKVZHYLQCVFV-OAHLLOKOSA-N 2 1 293.411 0.602 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC000818599538 613077251 /nfs/dbraw/zinc/07/72/51/613077251.db2.gz WAQJPGQMGZWHKS-AWEZNQCLSA-N 2 1 261.369 0.155 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC000818599538 613077253 /nfs/dbraw/zinc/07/72/53/613077253.db2.gz WAQJPGQMGZWHKS-AWEZNQCLSA-N 2 1 261.369 0.155 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000818599538 613077256 /nfs/dbraw/zinc/07/72/56/613077256.db2.gz WAQJPGQMGZWHKS-AWEZNQCLSA-N 2 1 261.369 0.155 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000818599538 613077257 /nfs/dbraw/zinc/07/72/57/613077257.db2.gz WAQJPGQMGZWHKS-AWEZNQCLSA-N 2 1 261.369 0.155 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000863558155 613078759 /nfs/dbraw/zinc/07/87/59/613078759.db2.gz XHZKVZHYLQCVFV-OAHLLOKOSA-N 2 1 293.411 0.602 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971674186 613079909 /nfs/dbraw/zinc/07/99/09/613079909.db2.gz NQUIVNTXNXKJBJ-CYBMUJFWSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000969411390 612996631 /nfs/dbraw/zinc/99/66/31/612996631.db2.gz KCXFZLQJOVWTGO-JSGCOSHPSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969969907 612996798 /nfs/dbraw/zinc/99/67/98/612996798.db2.gz QFBITMBTUDGNES-DZGCQCFKSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC000818615340 613072450 /nfs/dbraw/zinc/07/24/50/613072450.db2.gz JIWXWXIAQZHNOV-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000838624372 613073688 /nfs/dbraw/zinc/07/36/88/613073688.db2.gz UKWPJFLNEPSDRB-UHFFFAOYSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+]CCC12CCC2 ZINC000891920840 613073923 /nfs/dbraw/zinc/07/39/23/613073923.db2.gz FDXPXPSYFAKCSY-UHFFFAOYSA-N 2 1 292.427 0.869 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891921237 613075105 /nfs/dbraw/zinc/07/51/05/613075105.db2.gz LAUIZFVLRNJNHN-QDMKHBRRSA-N 2 1 292.427 0.771 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905276007 613079154 /nfs/dbraw/zinc/07/91/54/613079154.db2.gz UPDLUPOCJYIXQH-ZDUSSCGKSA-N 2 1 254.374 0.197 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905276007 613079155 /nfs/dbraw/zinc/07/91/55/613079155.db2.gz UPDLUPOCJYIXQH-ZDUSSCGKSA-N 2 1 254.374 0.197 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000971782445 613091438 /nfs/dbraw/zinc/09/14/38/613091438.db2.gz WBULKWSLNJJVCY-QWHCGFSZSA-N 2 1 251.374 0.493 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000969677036 613123418 /nfs/dbraw/zinc/12/34/18/613123418.db2.gz MABNEAPKZWMQNF-SWLSCSKDSA-N 2 1 275.396 0.398 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000914316091 613135004 /nfs/dbraw/zinc/13/50/04/613135004.db2.gz JABNUOVSVNIRDF-OAHLLOKOSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC#C)CC1 ZINC000928649295 613135900 /nfs/dbraw/zinc/13/59/00/613135900.db2.gz YIMPPRYLVHFSDX-HNNXBMFYSA-N 2 1 273.380 0.298 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC#C)CC1 ZINC000928649295 613135901 /nfs/dbraw/zinc/13/59/01/613135901.db2.gz YIMPPRYLVHFSDX-HNNXBMFYSA-N 2 1 273.380 0.298 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+](C)C)C1 ZINC000890370863 613167170 /nfs/dbraw/zinc/16/71/70/613167170.db2.gz HIFZXFZXBHLKMO-CYBMUJFWSA-N 2 1 266.389 0.287 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+](C)C)C1 ZINC000890370863 613167171 /nfs/dbraw/zinc/16/71/71/613167171.db2.gz HIFZXFZXBHLKMO-CYBMUJFWSA-N 2 1 266.389 0.287 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CC[C@H](C)C2)C1 ZINC000896488276 613169285 /nfs/dbraw/zinc/16/92/85/613169285.db2.gz FYFRAZKRHDNMAB-LSDHHAIUSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000896488276 613169288 /nfs/dbraw/zinc/16/92/88/613169288.db2.gz FYFRAZKRHDNMAB-LSDHHAIUSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC000896488276 613169291 /nfs/dbraw/zinc/16/92/91/613169291.db2.gz FYFRAZKRHDNMAB-LSDHHAIUSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CC[C@H](C)C2)C1 ZINC000896488276 613169292 /nfs/dbraw/zinc/16/92/92/613169292.db2.gz FYFRAZKRHDNMAB-LSDHHAIUSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913273369 613197560 /nfs/dbraw/zinc/19/75/60/613197560.db2.gz DXTPRYMMWXTPII-USXIJHARSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913273369 613197562 /nfs/dbraw/zinc/19/75/62/613197562.db2.gz DXTPRYMMWXTPII-USXIJHARSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)CC[NH+](CC)CC ZINC000848022974 613202128 /nfs/dbraw/zinc/20/21/28/613202128.db2.gz DKWGIQYCGCQACE-GJZGRUSLSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)CC[NH+](CC)CC ZINC000848022974 613202130 /nfs/dbraw/zinc/20/21/30/613202130.db2.gz DKWGIQYCGCQACE-GJZGRUSLSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000824087839 613202932 /nfs/dbraw/zinc/20/29/32/613202932.db2.gz WDRYJOFWKXORFY-MELADBBJSA-N 2 1 277.412 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000824087839 613202934 /nfs/dbraw/zinc/20/29/34/613202934.db2.gz WDRYJOFWKXORFY-MELADBBJSA-N 2 1 277.412 0.929 20 30 CCEDMP C(CNN=C1CC[N@@H+]2CCC[C@@H]12)C[NH+]1CCOCC1 ZINC000799489770 613224465 /nfs/dbraw/zinc/22/44/65/613224465.db2.gz BMZFJXMCDNXJMQ-AWEZNQCLSA-N 2 1 266.389 0.522 20 30 CCEDMP C(CNN=C1CC[N@H+]2CCC[C@@H]12)C[NH+]1CCOCC1 ZINC000799489770 613224469 /nfs/dbraw/zinc/22/44/69/613224469.db2.gz BMZFJXMCDNXJMQ-AWEZNQCLSA-N 2 1 266.389 0.522 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000971781693 613285523 /nfs/dbraw/zinc/28/55/23/613285523.db2.gz MHYNUQJIXFIZGV-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000971781693 613285525 /nfs/dbraw/zinc/28/55/25/613285525.db2.gz MHYNUQJIXFIZGV-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781693 613285526 /nfs/dbraw/zinc/28/55/26/613285526.db2.gz MHYNUQJIXFIZGV-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781693 613285528 /nfs/dbraw/zinc/28/55/28/613285528.db2.gz MHYNUQJIXFIZGV-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978962506 613307872 /nfs/dbraw/zinc/30/78/72/613307872.db2.gz QARBKDAMKGKFDY-ZSOGYDGISA-N 2 1 273.380 0.009 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978266772 613309551 /nfs/dbraw/zinc/30/95/51/613309551.db2.gz GVLUCGNPGXQWNL-APIJFGDWSA-N 2 1 298.390 0.688 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978266772 613309553 /nfs/dbraw/zinc/30/95/53/613309553.db2.gz GVLUCGNPGXQWNL-APIJFGDWSA-N 2 1 298.390 0.688 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960277683 613315602 /nfs/dbraw/zinc/31/56/02/613315602.db2.gz FGVQINIOTNYSTC-SFDCQRBFSA-N 2 1 284.363 0.440 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960277683 613315604 /nfs/dbraw/zinc/31/56/04/613315604.db2.gz FGVQINIOTNYSTC-SFDCQRBFSA-N 2 1 284.363 0.440 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852106574 613324989 /nfs/dbraw/zinc/32/49/89/613324989.db2.gz BNYHHJDCYGTLBM-HNNXBMFYSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852106574 613324990 /nfs/dbraw/zinc/32/49/90/613324990.db2.gz BNYHHJDCYGTLBM-HNNXBMFYSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852106574 613324992 /nfs/dbraw/zinc/32/49/92/613324992.db2.gz BNYHHJDCYGTLBM-HNNXBMFYSA-N 2 1 263.385 0.544 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000959969028 613344745 /nfs/dbraw/zinc/34/47/45/613344745.db2.gz VEHPZEPELLIBIJ-ZSAUSMIDSA-N 2 1 277.412 0.949 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959969028 613344746 /nfs/dbraw/zinc/34/47/46/613344746.db2.gz VEHPZEPELLIBIJ-ZSAUSMIDSA-N 2 1 277.412 0.949 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959969028 613344747 /nfs/dbraw/zinc/34/47/47/613344747.db2.gz VEHPZEPELLIBIJ-ZSAUSMIDSA-N 2 1 277.412 0.949 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961152216 613344924 /nfs/dbraw/zinc/34/49/24/613344924.db2.gz UCNBIHKRQONTGF-NHAGDIPZSA-N 2 1 274.368 0.814 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961152216 613344925 /nfs/dbraw/zinc/34/49/25/613344925.db2.gz UCNBIHKRQONTGF-NHAGDIPZSA-N 2 1 274.368 0.814 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000908345777 613364343 /nfs/dbraw/zinc/36/43/43/613364343.db2.gz DNCVTBZACAXGMT-OLZOCXBDSA-N 2 1 251.374 0.657 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000900441715 613365020 /nfs/dbraw/zinc/36/50/20/613365020.db2.gz NBUZUASHBJULLN-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000900373031 613365402 /nfs/dbraw/zinc/36/54/02/613365402.db2.gz YNYDGJUEAOUHFZ-GFCCVEGCSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000908541694 613365708 /nfs/dbraw/zinc/36/57/08/613365708.db2.gz UXCTVBYQATUFSQ-AWEZNQCLSA-N 2 1 283.416 0.457 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928085265 613366897 /nfs/dbraw/zinc/36/68/97/613366897.db2.gz HGFJOSDIQMREAC-QWHCGFSZSA-N 2 1 283.441 0.800 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000876756577 613388378 /nfs/dbraw/zinc/38/83/78/613388378.db2.gz VNVVSWWEQIXGQE-GHMZBOCLSA-N 2 1 275.780 0.293 20 30 CCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000876779782 613389909 /nfs/dbraw/zinc/38/99/09/613389909.db2.gz MZNPKDOAWUBGOP-LBPRGKRZSA-N 2 1 288.823 0.210 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000981978478 613552071 /nfs/dbraw/zinc/55/20/71/613552071.db2.gz ZJDVMXSRYCSDPF-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000981978478 613552072 /nfs/dbraw/zinc/55/20/72/613552072.db2.gz ZJDVMXSRYCSDPF-AWEZNQCLSA-N 2 1 265.401 0.884 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977950400 613560121 /nfs/dbraw/zinc/56/01/21/613560121.db2.gz DKMBILDDNQALEP-XQLPTFJDSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000977950400 613560122 /nfs/dbraw/zinc/56/01/22/613560122.db2.gz DKMBILDDNQALEP-XQLPTFJDSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977950400 613560123 /nfs/dbraw/zinc/56/01/23/613560123.db2.gz DKMBILDDNQALEP-XQLPTFJDSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000977950400 613560124 /nfs/dbraw/zinc/56/01/24/613560124.db2.gz DKMBILDDNQALEP-XQLPTFJDSA-N 2 1 293.411 0.187 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972556837 613611526 /nfs/dbraw/zinc/61/15/26/613611526.db2.gz BTVDJYSNXUIXHV-CQSZACIVSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972556837 613611528 /nfs/dbraw/zinc/61/15/28/613611528.db2.gz BTVDJYSNXUIXHV-CQSZACIVSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000980413181 613614898 /nfs/dbraw/zinc/61/48/98/613614898.db2.gz ROQZOQUPOKLFDW-LSDHHAIUSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000971948081 613629813 /nfs/dbraw/zinc/62/98/13/613629813.db2.gz YPIINCTUVINCLR-ZDUSSCGKSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000971948081 613629817 /nfs/dbraw/zinc/62/98/17/613629817.db2.gz YPIINCTUVINCLR-ZDUSSCGKSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000969382495 613661956 /nfs/dbraw/zinc/66/19/56/613661956.db2.gz SXVNETMCUDMQMT-YPMHNXCESA-N 2 1 251.374 0.703 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326387 613668828 /nfs/dbraw/zinc/66/88/28/613668828.db2.gz RCPXCMPJEOGRIZ-ZFWWWQNUSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326387 613668831 /nfs/dbraw/zinc/66/88/31/613668831.db2.gz RCPXCMPJEOGRIZ-ZFWWWQNUSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000977926193 613834940 /nfs/dbraw/zinc/83/49/40/613834940.db2.gz ZTHMTNUMUCSEIQ-YIYPIFLZSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977926193 613834941 /nfs/dbraw/zinc/83/49/41/613834941.db2.gz ZTHMTNUMUCSEIQ-YIYPIFLZSA-N 2 1 263.385 0.561 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960281802 613839382 /nfs/dbraw/zinc/83/93/82/613839382.db2.gz OIZGDUSQULNPHP-SFDCQRBFSA-N 2 1 286.379 0.993 20 30 CCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960281802 613839383 /nfs/dbraw/zinc/83/93/83/613839383.db2.gz OIZGDUSQULNPHP-SFDCQRBFSA-N 2 1 286.379 0.993 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969069015 613865452 /nfs/dbraw/zinc/86/54/52/613865452.db2.gz DQFCFRIHAOJFNV-JHJVBQTASA-N 2 1 267.373 0.082 20 30 CCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969069015 613865454 /nfs/dbraw/zinc/86/54/54/613865454.db2.gz DQFCFRIHAOJFNV-JHJVBQTASA-N 2 1 267.373 0.082 20 30 CCEDMP CCO[C@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)C[NH+](C)C ZINC000905578719 615483924 /nfs/dbraw/zinc/48/39/24/615483924.db2.gz GEKNJOUHENGZFH-CHWSQXEVSA-N 2 1 269.389 0.597 20 30 CCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023084502 622901640 /nfs/dbraw/zinc/90/16/40/622901640.db2.gz QSAGDCIKAYMUKO-SDDRHHMPSA-N 2 1 271.792 0.927 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001023290694 622982769 /nfs/dbraw/zinc/98/27/69/622982769.db2.gz AGFROWWCGIUNLE-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023290694 622982779 /nfs/dbraw/zinc/98/27/79/622982779.db2.gz AGFROWWCGIUNLE-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023290694 622982795 /nfs/dbraw/zinc/98/27/95/622982795.db2.gz AGFROWWCGIUNLE-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023290694 622982809 /nfs/dbraw/zinc/98/28/09/622982809.db2.gz AGFROWWCGIUNLE-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023290694 622982826 /nfs/dbraw/zinc/98/28/26/622982826.db2.gz AGFROWWCGIUNLE-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024375599 623300915 /nfs/dbraw/zinc/30/09/15/623300915.db2.gz UOFQYZIWSUGHQR-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024375599 623300921 /nfs/dbraw/zinc/30/09/21/623300921.db2.gz UOFQYZIWSUGHQR-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375599 623300926 /nfs/dbraw/zinc/30/09/26/623300926.db2.gz UOFQYZIWSUGHQR-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375599 623300936 /nfs/dbraw/zinc/30/09/36/623300936.db2.gz UOFQYZIWSUGHQR-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCOCC1 ZINC000170904774 623812872 /nfs/dbraw/zinc/81/28/72/623812872.db2.gz AIOHJKPATWGACE-CYBMUJFWSA-N 2 1 268.405 0.802 20 30 CCEDMP C[NH+]=C(NC[C@H]1CCC[N@@H+]1CCOC)NC1CC1 ZINC000171612933 623821267 /nfs/dbraw/zinc/82/12/67/623821267.db2.gz KISWHIZHIBQKQR-GFCCVEGCSA-N 2 1 254.378 0.425 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001022076912 624871044 /nfs/dbraw/zinc/87/10/44/624871044.db2.gz FDTBHMGSMHAJCE-APIJFGDWSA-N 2 1 275.396 0.731 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022276456 624907658 /nfs/dbraw/zinc/90/76/58/624907658.db2.gz KOBXUYPYXFGRSN-FVCCEPFGSA-N 2 1 267.373 0.128 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022276456 624907661 /nfs/dbraw/zinc/90/76/61/624907661.db2.gz KOBXUYPYXFGRSN-FVCCEPFGSA-N 2 1 267.373 0.128 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001022278198 624908964 /nfs/dbraw/zinc/90/89/64/624908964.db2.gz HLIXXNIZMDQJIW-LXTVHRRPSA-N 2 1 275.396 0.873 20 30 CCEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001027794713 630924150 /nfs/dbraw/zinc/92/41/50/630924150.db2.gz INCXYOMLVKCLER-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027794713 630924154 /nfs/dbraw/zinc/92/41/54/630924154.db2.gz INCXYOMLVKCLER-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027794713 630924158 /nfs/dbraw/zinc/92/41/58/630924158.db2.gz INCXYOMLVKCLER-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261675362 631432424 /nfs/dbraw/zinc/43/24/24/631432424.db2.gz GOBRWTUXTSJMRV-YNEHKIRRSA-N 2 1 282.432 0.917 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC000989803511 633354881 /nfs/dbraw/zinc/35/48/81/633354881.db2.gz UKGSALNMBFAIPV-YPMHNXCESA-N 2 1 262.357 0.957 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009526742 650147008 /nfs/dbraw/zinc/14/70/08/650147008.db2.gz FQYNZABWSXUTKD-CYBMUJFWSA-N 2 1 251.374 0.849 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010382614 650212786 /nfs/dbraw/zinc/21/27/86/650212786.db2.gz LJMFSRSUBNQDRE-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010382614 650212788 /nfs/dbraw/zinc/21/27/88/650212788.db2.gz LJMFSRSUBNQDRE-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010382614 650212790 /nfs/dbraw/zinc/21/27/90/650212790.db2.gz LJMFSRSUBNQDRE-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)COC ZINC000170910979 637105376 /nfs/dbraw/zinc/10/53/76/637105376.db2.gz YPVFGJZDXZWYAX-NEPJUHHUSA-N 2 1 256.394 0.658 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083131256 638793240 /nfs/dbraw/zinc/79/32/40/638793240.db2.gz RIGULHNKWCOCGO-YPMHNXCESA-N 2 1 266.389 0.567 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083131256 638793242 /nfs/dbraw/zinc/79/32/42/638793242.db2.gz RIGULHNKWCOCGO-YPMHNXCESA-N 2 1 266.389 0.567 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000996674148 638827640 /nfs/dbraw/zinc/82/76/40/638827640.db2.gz AJZLMWMGLZBAKF-AWEZNQCLSA-N 2 1 286.379 0.974 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000996674149 638827716 /nfs/dbraw/zinc/82/77/16/638827716.db2.gz AJZLMWMGLZBAKF-CQSZACIVSA-N 2 1 286.379 0.974 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014455563 650453124 /nfs/dbraw/zinc/45/31/24/650453124.db2.gz MAHQBLMIQZKXQH-LSDHHAIUSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999404741 638980506 /nfs/dbraw/zinc/98/05/06/638980506.db2.gz ZPGVWUHKSQOPGX-IYXRBSQSSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001014628983 650469153 /nfs/dbraw/zinc/46/91/53/650469153.db2.gz KGWTYLCQYMLGJT-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001014628983 650469157 /nfs/dbraw/zinc/46/91/57/650469157.db2.gz KGWTYLCQYMLGJT-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001014628983 650469160 /nfs/dbraw/zinc/46/91/60/650469160.db2.gz KGWTYLCQYMLGJT-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001014628983 650469162 /nfs/dbraw/zinc/46/91/62/650469162.db2.gz KGWTYLCQYMLGJT-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000545728 639118006 /nfs/dbraw/zinc/11/80/06/639118006.db2.gz BBRYWNKQFVFXMU-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000545728 639118008 /nfs/dbraw/zinc/11/80/08/639118008.db2.gz BBRYWNKQFVFXMU-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001000545728 639118012 /nfs/dbraw/zinc/11/80/12/639118012.db2.gz BBRYWNKQFVFXMU-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001000545728 639118014 /nfs/dbraw/zinc/11/80/14/639118014.db2.gz BBRYWNKQFVFXMU-OAHLLOKOSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001001463258 639301736 /nfs/dbraw/zinc/30/17/36/639301736.db2.gz RGTSZYZTYZYKIP-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001001463258 639301740 /nfs/dbraw/zinc/30/17/40/639301740.db2.gz RGTSZYZTYZYKIP-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001001463258 639301747 /nfs/dbraw/zinc/30/17/47/639301747.db2.gz RGTSZYZTYZYKIP-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001001463258 639301757 /nfs/dbraw/zinc/30/17/57/639301757.db2.gz RGTSZYZTYZYKIP-HNNXBMFYSA-N 2 1 291.395 0.089 20 30 CCEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001001451895 639305657 /nfs/dbraw/zinc/30/56/57/639305657.db2.gz OOGBADSUDMKCDY-AWEZNQCLSA-N 2 1 263.385 0.872 20 30 CCEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001001451895 639305661 /nfs/dbraw/zinc/30/56/61/639305661.db2.gz OOGBADSUDMKCDY-AWEZNQCLSA-N 2 1 263.385 0.872 20 30 CCEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001001451895 639305667 /nfs/dbraw/zinc/30/56/67/639305667.db2.gz OOGBADSUDMKCDY-AWEZNQCLSA-N 2 1 263.385 0.872 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089559 650527612 /nfs/dbraw/zinc/52/76/12/650527612.db2.gz JZQKQDHPWZMQSI-ZDUSSCGKSA-N 2 1 261.369 0.439 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089559 650527614 /nfs/dbraw/zinc/52/76/14/650527614.db2.gz JZQKQDHPWZMQSI-ZDUSSCGKSA-N 2 1 261.369 0.439 20 30 CCEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001005208719 639889333 /nfs/dbraw/zinc/88/93/33/639889333.db2.gz GRQVCKHGAJDTFD-OAHLLOKOSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001005208719 639889336 /nfs/dbraw/zinc/88/93/36/639889336.db2.gz GRQVCKHGAJDTFD-OAHLLOKOSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015289252 650551688 /nfs/dbraw/zinc/55/16/88/650551688.db2.gz IAJIIYUCVAFNGO-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015289252 650551690 /nfs/dbraw/zinc/55/16/90/650551690.db2.gz IAJIIYUCVAFNGO-CYBMUJFWSA-N 2 1 262.357 0.958 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001006002509 640062730 /nfs/dbraw/zinc/06/27/30/640062730.db2.gz XWQGQZGVKDNAJR-HIFRSBDPSA-N 2 1 277.412 0.740 20 30 CCEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001016736711 650756383 /nfs/dbraw/zinc/75/63/83/650756383.db2.gz ILCBSYXBHOBOFR-AWEZNQCLSA-N 2 1 286.379 0.795 20 30 CCEDMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834493198 642583051 /nfs/dbraw/zinc/58/30/51/642583051.db2.gz BPPDHFDRAKYBDR-RYUDHWBXSA-N 2 1 261.329 0.200 20 30 CCEDMP CC(C)[N@@H+](C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864960 644030918 /nfs/dbraw/zinc/03/09/18/644030918.db2.gz NSSLFVLHMPMZMG-UHFFFAOYSA-N 2 1 251.374 0.446 20 30 CCEDMP C#C[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000934518441 649178541 /nfs/dbraw/zinc/17/85/41/649178541.db2.gz IFWYCVIZRPICMC-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#C[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000934518441 649178545 /nfs/dbraw/zinc/17/85/45/649178545.db2.gz IFWYCVIZRPICMC-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C[NH+]=C(NCc1ccnn1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083134313 649603975 /nfs/dbraw/zinc/60/39/75/649603975.db2.gz CFZWYINSONZJPH-LLVKDONJSA-N 2 1 276.388 0.322 20 30 CCEDMP C[NH+]=C(NCc1ccnn1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083134313 649603977 /nfs/dbraw/zinc/60/39/77/649603977.db2.gz CFZWYINSONZJPH-LLVKDONJSA-N 2 1 276.388 0.322 20 30 CCEDMP C[NH+]=C(NC[C@@H](C)CN1CC[NH+](C)CC1)NC(C)(C)C ZINC000303470119 649821300 /nfs/dbraw/zinc/82/13/00/649821300.db2.gz IELNPIAQNSDLAJ-CYBMUJFWSA-N 2 1 283.464 0.833 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)NC(C)C ZINC000303781938 649825228 /nfs/dbraw/zinc/82/52/28/649825228.db2.gz MSJFUIVMSGZKFV-GFCCVEGCSA-N 2 1 283.420 0.290 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cccn1 ZINC000303886735 649826548 /nfs/dbraw/zinc/82/65/48/649826548.db2.gz NXXGRCSSVCMZHY-LBPRGKRZSA-N 2 1 264.377 0.272 20 30 CCEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])NCC(C)C)CC1 ZINC000303894383 649826623 /nfs/dbraw/zinc/82/66/23/649826623.db2.gz OTBVGOVBZDXYJZ-UHFFFAOYSA-N 2 1 283.464 0.964 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)[NH+](C)C1CC1 ZINC000303979484 649827446 /nfs/dbraw/zinc/82/74/46/649827446.db2.gz NGSIDLFFJVKVTF-JSGCOSHPSA-N 3 1 281.448 0.858 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000303979484 649827448 /nfs/dbraw/zinc/82/74/48/649827448.db2.gz NGSIDLFFJVKVTF-JSGCOSHPSA-N 3 1 281.448 0.858 20 30 CCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000303979484 649827449 /nfs/dbraw/zinc/82/74/49/649827449.db2.gz NGSIDLFFJVKVTF-JSGCOSHPSA-N 3 1 281.448 0.858 20 30 CCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)N(C)C1CC1 ZINC000303979484 649827451 /nfs/dbraw/zinc/82/74/51/649827451.db2.gz NGSIDLFFJVKVTF-JSGCOSHPSA-N 2 1 281.448 0.858 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)N(C)C1CC1 ZINC000303979484 649827453 /nfs/dbraw/zinc/82/74/53/649827453.db2.gz NGSIDLFFJVKVTF-JSGCOSHPSA-N 2 1 281.448 0.858 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C)COC1 ZINC000304750572 649838150 /nfs/dbraw/zinc/83/81/50/649838150.db2.gz IOGAWBTYFYPQQE-NSHDSACASA-N 2 1 254.378 0.412 20 30 CCEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])N[C@@H](C)COC ZINC000304762897 649838872 /nfs/dbraw/zinc/83/88/72/649838872.db2.gz WDWQHPYHAPTELU-RYUDHWBXSA-N 2 1 256.394 0.800 20 30 CCEDMP CCc1nncn1CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000304789546 649839386 /nfs/dbraw/zinc/83/93/86/649839386.db2.gz JUZSZDADUFNILV-LBPRGKRZSA-N 2 1 293.419 0.229 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266352848 790569435 /nfs/dbraw/zinc/56/94/35/790569435.db2.gz JFDVEVIGSPFVKB-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266352848 790569449 /nfs/dbraw/zinc/56/94/49/790569449.db2.gz JFDVEVIGSPFVKB-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266352848 790569459 /nfs/dbraw/zinc/56/94/59/790569459.db2.gz JFDVEVIGSPFVKB-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001266412459 790655587 /nfs/dbraw/zinc/65/55/87/790655587.db2.gz UCLGQXQSJPNDPD-HUUCEWRRSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001266412002 790655396 /nfs/dbraw/zinc/65/53/96/790655396.db2.gz JZAVNPSDYBQPNZ-OAHLLOKOSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266487136 790780964 /nfs/dbraw/zinc/78/09/64/790780964.db2.gz UQBKJEVYGAUVMI-HNNXBMFYSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266487136 790780973 /nfs/dbraw/zinc/78/09/73/790780973.db2.gz UQBKJEVYGAUVMI-HNNXBMFYSA-N 2 1 293.411 0.313 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001203203341 791140781 /nfs/dbraw/zinc/14/07/81/791140781.db2.gz KXGLTAYHCOLTFJ-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266894686 791324280 /nfs/dbraw/zinc/32/42/80/791324280.db2.gz JHSJNXLHRPKBAW-ZIAGYGMSSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266894685 791325021 /nfs/dbraw/zinc/32/50/21/791325021.db2.gz JHSJNXLHRPKBAW-UONOGXRCSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266965455 791404468 /nfs/dbraw/zinc/40/44/68/791404468.db2.gz UPQADHLLMLKLAY-GXTWGEPZSA-N 2 1 288.395 0.872 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267022206 791458007 /nfs/dbraw/zinc/45/80/07/791458007.db2.gz DDEOSCZHTOTHMQ-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001267044609 791476371 /nfs/dbraw/zinc/47/63/71/791476371.db2.gz KBXUJWPQXMHDPQ-KBPBESRZSA-N 2 1 281.375 0.492 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001267044609 791476376 /nfs/dbraw/zinc/47/63/76/791476376.db2.gz KBXUJWPQXMHDPQ-KBPBESRZSA-N 2 1 281.375 0.492 20 30 CCEDMP C#CC[N@@H+](C)CCNC(=O)CCCC[NH+]1CCCC1 ZINC001267233545 791715301 /nfs/dbraw/zinc/71/53/01/791715301.db2.gz PYILHDIBBAUDLP-UHFFFAOYSA-N 2 1 265.401 0.934 20 30 CCEDMP COc1cc(C#N)ccc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234988754 806333464 /nfs/dbraw/zinc/33/34/64/806333464.db2.gz NZTPZBFEDUYNIY-MRXNPFEDSA-N 2 1 286.379 0.704 20 30 CCEDMP C=CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001278098908 806666548 /nfs/dbraw/zinc/66/65/48/806666548.db2.gz AFCXZXNIZAGOLD-QJPTWQEYSA-N 2 1 278.356 0.156 20 30 CCEDMP N#CC1(C[C@H](O)C[NH2+][C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001120511020 798841837 /nfs/dbraw/zinc/84/18/37/798841837.db2.gz CMJHJFKHKZDWEY-AAEUAGOBSA-N 2 1 260.341 0.842 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC001121909586 799090993 /nfs/dbraw/zinc/09/09/93/799090993.db2.gz VUZCKSQRPJLDSU-LBPRGKRZSA-N 2 1 271.430 0.835 20 30 CCEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161206475 799881850 /nfs/dbraw/zinc/88/18/50/799881850.db2.gz JXCRARSFJYFPOC-GOEBONIOSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161206475 799881857 /nfs/dbraw/zinc/88/18/57/799881857.db2.gz JXCRARSFJYFPOC-GOEBONIOSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001150319098 800330575 /nfs/dbraw/zinc/33/05/75/800330575.db2.gz XWCOZCCXKIWLQH-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001150319098 800330582 /nfs/dbraw/zinc/33/05/82/800330582.db2.gz XWCOZCCXKIWLQH-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001150319098 800330585 /nfs/dbraw/zinc/33/05/85/800330585.db2.gz XWCOZCCXKIWLQH-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001150319098 800330592 /nfs/dbraw/zinc/33/05/92/800330592.db2.gz XWCOZCCXKIWLQH-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150481232 800337805 /nfs/dbraw/zinc/33/78/05/800337805.db2.gz WNPZCYKQGULKAI-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150796564 800369041 /nfs/dbraw/zinc/36/90/41/800369041.db2.gz VUQHTIUTUIEHTN-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150796564 800369046 /nfs/dbraw/zinc/36/90/46/800369046.db2.gz VUQHTIUTUIEHTN-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150796564 800369052 /nfs/dbraw/zinc/36/90/52/800369052.db2.gz VUQHTIUTUIEHTN-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC#CCOC ZINC001156525418 801179683 /nfs/dbraw/zinc/17/96/83/801179683.db2.gz NXKWYSSVAAKXHY-OAHLLOKOSA-N 2 1 297.443 0.805 20 30 CCEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC#CCOC ZINC001156525418 801179687 /nfs/dbraw/zinc/17/96/87/801179687.db2.gz NXKWYSSVAAKXHY-OAHLLOKOSA-N 2 1 297.443 0.805 20 30 CCEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC#CCOC ZINC001156525418 801179691 /nfs/dbraw/zinc/17/96/91/801179691.db2.gz NXKWYSSVAAKXHY-OAHLLOKOSA-N 2 1 297.443 0.805 20 30 CCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156891160 801255166 /nfs/dbraw/zinc/25/51/66/801255166.db2.gz XCXVZGOAUGFSHC-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156891160 801255172 /nfs/dbraw/zinc/25/51/72/801255172.db2.gz XCXVZGOAUGFSHC-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156891160 801255178 /nfs/dbraw/zinc/25/51/78/801255178.db2.gz XCXVZGOAUGFSHC-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156889941 801255312 /nfs/dbraw/zinc/25/53/12/801255312.db2.gz FPQNTCSEFOPBAK-CABCVRRESA-N 2 1 295.427 0.415 20 30 CCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156889941 801255320 /nfs/dbraw/zinc/25/53/20/801255320.db2.gz FPQNTCSEFOPBAK-CABCVRRESA-N 2 1 295.427 0.415 20 30 CCEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156889941 801255328 /nfs/dbraw/zinc/25/53/28/801255328.db2.gz FPQNTCSEFOPBAK-CABCVRRESA-N 2 1 295.427 0.415 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997624 801897941 /nfs/dbraw/zinc/89/79/41/801897941.db2.gz UYJLWECLULIJSP-UHFFFAOYSA-N 2 1 281.400 0.216 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001278326668 806965062 /nfs/dbraw/zinc/96/50/62/806965062.db2.gz SNXOGTQDZHHCFZ-HUUCEWRRSA-N 2 1 295.427 0.555 20 30 CCEDMP CC[NH+](CC)CCNC(=[NH2+])Nc1nccnc1C#N ZINC001163122645 802487980 /nfs/dbraw/zinc/48/79/80/802487980.db2.gz OPYQERKQUDCLJP-UHFFFAOYSA-N 2 1 261.333 0.626 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164536305 802758449 /nfs/dbraw/zinc/75/84/49/802758449.db2.gz PWZODHMLWALHRQ-CQSZACIVSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166692410 802939454 /nfs/dbraw/zinc/93/94/54/802939454.db2.gz PHUZAWYONXUBLB-CHWSQXEVSA-N 2 1 253.390 0.856 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550758 803418979 /nfs/dbraw/zinc/41/89/79/803418979.db2.gz IFFZHXKFZJWKFH-BPLDGKMQSA-N 2 1 277.412 0.786 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506595 803608928 /nfs/dbraw/zinc/60/89/28/803608928.db2.gz MPQJBHAUQROSCL-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506595 803608929 /nfs/dbraw/zinc/60/89/29/803608929.db2.gz MPQJBHAUQROSCL-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213397458 803692295 /nfs/dbraw/zinc/69/22/95/803692295.db2.gz NQIWRFNTKXSHKI-MGPQQGTHSA-N 2 1 283.416 0.574 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213397458 803692298 /nfs/dbraw/zinc/69/22/98/803692298.db2.gz NQIWRFNTKXSHKI-MGPQQGTHSA-N 2 1 283.416 0.574 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213769220 803703080 /nfs/dbraw/zinc/70/30/80/803703080.db2.gz KBIRGRFFQZLUBQ-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213769220 803703082 /nfs/dbraw/zinc/70/30/82/803703082.db2.gz KBIRGRFFQZLUBQ-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213769220 803703086 /nfs/dbraw/zinc/70/30/86/803703086.db2.gz KBIRGRFFQZLUBQ-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916851 803705949 /nfs/dbraw/zinc/70/59/49/803705949.db2.gz NQLJYONVVSVECS-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916851 803705953 /nfs/dbraw/zinc/70/59/53/803705953.db2.gz NQLJYONVVSVECS-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216852426 803860466 /nfs/dbraw/zinc/86/04/66/803860466.db2.gz ZEOAZJNXXMWUOS-HUUCEWRRSA-N 2 1 295.427 0.413 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345035 804579508 /nfs/dbraw/zinc/57/95/08/804579508.db2.gz NBDWPLJYDVJXLG-KFWWJZLASA-N 2 1 297.443 0.844 20 30 CCEDMP C#C[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220460161 804609478 /nfs/dbraw/zinc/60/94/78/804609478.db2.gz CAYZZPWLGMYDNY-HOCLYGCPSA-N 2 1 297.402 0.846 20 30 CCEDMP C#C[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220460161 804609481 /nfs/dbraw/zinc/60/94/81/804609481.db2.gz CAYZZPWLGMYDNY-HOCLYGCPSA-N 2 1 297.402 0.846 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001220868692 804685642 /nfs/dbraw/zinc/68/56/42/804685642.db2.gz PBBCWWWQLADKRT-RWMBFGLXSA-N 2 1 269.364 0.701 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089645 804728120 /nfs/dbraw/zinc/72/81/20/804728120.db2.gz KSOLNUHHJQJMKU-KGLIPLIRSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089645 804728123 /nfs/dbraw/zinc/72/81/23/804728123.db2.gz KSOLNUHHJQJMKU-KGLIPLIRSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089645 804728131 /nfs/dbraw/zinc/72/81/31/804728131.db2.gz KSOLNUHHJQJMKU-KGLIPLIRSA-N 2 1 283.416 0.454 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091562 804730803 /nfs/dbraw/zinc/73/08/03/804730803.db2.gz QTKLFVAZYFTPSS-OLZOCXBDSA-N 2 1 269.389 0.064 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091562 804730805 /nfs/dbraw/zinc/73/08/05/804730805.db2.gz QTKLFVAZYFTPSS-OLZOCXBDSA-N 2 1 269.389 0.064 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091562 804730806 /nfs/dbraw/zinc/73/08/06/804730806.db2.gz QTKLFVAZYFTPSS-OLZOCXBDSA-N 2 1 269.389 0.064 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091562 804730808 /nfs/dbraw/zinc/73/08/08/804730808.db2.gz QTKLFVAZYFTPSS-OLZOCXBDSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916986 804996609 /nfs/dbraw/zinc/99/66/09/804996609.db2.gz YFKPVFDTVAUKLL-CABCVRRESA-N 2 1 295.427 0.673 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001276956793 805014127 /nfs/dbraw/zinc/01/41/27/805014127.db2.gz NRLAFYDMJMJYEP-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001276956793 805014138 /nfs/dbraw/zinc/01/41/38/805014138.db2.gz NRLAFYDMJMJYEP-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001276956793 805014147 /nfs/dbraw/zinc/01/41/47/805014147.db2.gz NRLAFYDMJMJYEP-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001276957591 805015516 /nfs/dbraw/zinc/01/55/16/805015516.db2.gz YVTNKKNJLFUGRM-IHRRRGAJSA-N 2 1 281.400 0.378 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001276957591 805015524 /nfs/dbraw/zinc/01/55/24/805015524.db2.gz YVTNKKNJLFUGRM-IHRRRGAJSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001226722034 805270889 /nfs/dbraw/zinc/27/08/89/805270889.db2.gz DTIOKFICKPXUBE-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001226722034 805270894 /nfs/dbraw/zinc/27/08/94/805270894.db2.gz DTIOKFICKPXUBE-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001278437934 807197664 /nfs/dbraw/zinc/19/76/64/807197664.db2.gz KZFZOUCNZLDFNT-AWEZNQCLSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001278437934 807197668 /nfs/dbraw/zinc/19/76/68/807197668.db2.gz KZFZOUCNZLDFNT-AWEZNQCLSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001278437934 807197670 /nfs/dbraw/zinc/19/76/70/807197670.db2.gz KZFZOUCNZLDFNT-AWEZNQCLSA-N 2 1 251.374 0.542 20 30 CCEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246486205 807262320 /nfs/dbraw/zinc/26/23/20/807262320.db2.gz DOUGZLARAYAPSQ-SWLSCSKDSA-N 2 1 258.369 0.640 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001278728745 808076321 /nfs/dbraw/zinc/07/63/21/808076321.db2.gz SOTRYHUMGXLZNY-CQSZACIVSA-N 2 1 295.427 0.769 20 30 CCEDMP C[N@H+]1CCC[C@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)CC1 ZINC001254509140 808248106 /nfs/dbraw/zinc/24/81/06/808248106.db2.gz XCINUZBCNFQJTR-ZDUSSCGKSA-N 2 1 274.368 0.975 20 30 CCEDMP NC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254845685 808287346 /nfs/dbraw/zinc/28/73/46/808287346.db2.gz PNVOEAFKNLWRML-CQSZACIVSA-N 2 1 286.379 0.975 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCOCC1)C(C)(C)C ZINC001279015808 808617000 /nfs/dbraw/zinc/61/70/00/808617000.db2.gz YDIODJZPKMZGEB-CQSZACIVSA-N 2 1 295.427 0.462 20 30 CCEDMP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001279031809 808627287 /nfs/dbraw/zinc/62/72/87/808627287.db2.gz SCHHODIONSPNHY-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076244751 815266394 /nfs/dbraw/zinc/26/63/94/815266394.db2.gz XTZYCUBQQMGJPB-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076244751 815266398 /nfs/dbraw/zinc/26/63/98/815266398.db2.gz XTZYCUBQQMGJPB-HRCADAONSA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001263812114 809575593 /nfs/dbraw/zinc/57/55/93/809575593.db2.gz HQFHTMWGZDWJCJ-KGLIPLIRSA-N 2 1 265.401 0.883 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001263812114 809575597 /nfs/dbraw/zinc/57/55/97/809575597.db2.gz HQFHTMWGZDWJCJ-KGLIPLIRSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001263878263 809596972 /nfs/dbraw/zinc/59/69/72/809596972.db2.gz RHGRRZSRKWAZHC-MGPQQGTHSA-N 2 1 263.385 0.446 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001076574304 815310778 /nfs/dbraw/zinc/31/07/78/815310778.db2.gz DGXJAWPLGKQRPX-UONOGXRCSA-N 2 1 274.368 0.910 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001076574304 815310784 /nfs/dbraw/zinc/31/07/84/815310784.db2.gz DGXJAWPLGKQRPX-UONOGXRCSA-N 2 1 274.368 0.910 20 30 CCEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001265381766 809768659 /nfs/dbraw/zinc/76/86/59/809768659.db2.gz AJXVHNFIFUXSHW-GJZGRUSLSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001265381766 809768664 /nfs/dbraw/zinc/76/86/64/809768664.db2.gz AJXVHNFIFUXSHW-GJZGRUSLSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001265414279 809773718 /nfs/dbraw/zinc/77/37/18/809773718.db2.gz GTCHKRLXGHFEQQ-OKILXGFUSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CC#CC)CC1 ZINC001265978450 809911152 /nfs/dbraw/zinc/91/11/52/809911152.db2.gz NRKIQOOJWJGGST-UHFFFAOYSA-N 2 1 289.423 0.793 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266119686 809938696 /nfs/dbraw/zinc/93/86/96/809938696.db2.gz KCADCIHFBLJBJP-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266119686 809938699 /nfs/dbraw/zinc/93/86/99/809938699.db2.gz KCADCIHFBLJBJP-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266119686 809938702 /nfs/dbraw/zinc/93/87/02/809938702.db2.gz KCADCIHFBLJBJP-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001279746969 811652985 /nfs/dbraw/zinc/65/29/85/811652985.db2.gz YAPFWTFWTBXWIU-CQSZACIVSA-N 2 1 283.416 0.457 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001267698083 811663356 /nfs/dbraw/zinc/66/33/56/811663356.db2.gz VHAHORHHIOEEAR-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001267698083 811663364 /nfs/dbraw/zinc/66/33/64/811663364.db2.gz VHAHORHHIOEEAR-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001267957849 811894232 /nfs/dbraw/zinc/89/42/32/811894232.db2.gz NYXDWHROZWDPTA-CABCVRRESA-N 2 1 273.380 0.298 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001267957849 811894239 /nfs/dbraw/zinc/89/42/39/811894239.db2.gz NYXDWHROZWDPTA-CABCVRRESA-N 2 1 273.380 0.298 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001008530626 811904088 /nfs/dbraw/zinc/90/40/88/811904088.db2.gz BGWLAQRFBDUJPC-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001008530626 811904090 /nfs/dbraw/zinc/90/40/90/811904090.db2.gz BGWLAQRFBDUJPC-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008530626 811904095 /nfs/dbraw/zinc/90/40/95/811904095.db2.gz BGWLAQRFBDUJPC-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008530626 811904098 /nfs/dbraw/zinc/90/40/98/811904098.db2.gz BGWLAQRFBDUJPC-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966167 812173537 /nfs/dbraw/zinc/17/35/37/812173537.db2.gz LISBURKKDLAWIR-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966167 812173542 /nfs/dbraw/zinc/17/35/42/812173542.db2.gz LISBURKKDLAWIR-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966167 812173548 /nfs/dbraw/zinc/17/35/48/812173548.db2.gz LISBURKKDLAWIR-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966167 812173553 /nfs/dbraw/zinc/17/35/53/812173553.db2.gz LISBURKKDLAWIR-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001028329102 812622972 /nfs/dbraw/zinc/62/29/72/812622972.db2.gz GEWBSDPWJLNVIC-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001028329102 812622974 /nfs/dbraw/zinc/62/29/74/812622974.db2.gz GEWBSDPWJLNVIC-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329102 812622980 /nfs/dbraw/zinc/62/29/80/812622980.db2.gz GEWBSDPWJLNVIC-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329102 812622983 /nfs/dbraw/zinc/62/29/83/812622983.db2.gz GEWBSDPWJLNVIC-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028544582 812832973 /nfs/dbraw/zinc/83/29/73/812832973.db2.gz GFOAVYHXSUFHRG-HOCLYGCPSA-N 2 1 289.423 0.790 20 30 CCEDMP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001268700029 813017777 /nfs/dbraw/zinc/01/77/77/813017777.db2.gz BWCPUNSSHYLZDL-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001269034081 813185510 /nfs/dbraw/zinc/18/55/10/813185510.db2.gz OUXSFBIOCSVDSC-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001269034081 813185518 /nfs/dbraw/zinc/18/55/18/813185518.db2.gz OUXSFBIOCSVDSC-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001269034081 813185522 /nfs/dbraw/zinc/18/55/22/813185522.db2.gz OUXSFBIOCSVDSC-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP COCC#CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001269523148 813402512 /nfs/dbraw/zinc/40/25/12/813402512.db2.gz YUAONWYYJGJSHI-CQSZACIVSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001028762966 813457809 /nfs/dbraw/zinc/45/78/09/813457809.db2.gz XHKAYUPNFLPMFB-ZNMIVQPWSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001028762966 813457812 /nfs/dbraw/zinc/45/78/12/813457812.db2.gz XHKAYUPNFLPMFB-ZNMIVQPWSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001028762966 813457817 /nfs/dbraw/zinc/45/78/17/813457817.db2.gz XHKAYUPNFLPMFB-ZNMIVQPWSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001028996161 813736673 /nfs/dbraw/zinc/73/66/73/813736673.db2.gz BGZXZWCSNSGZDQ-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001028996161 813736677 /nfs/dbraw/zinc/73/66/77/813736677.db2.gz BGZXZWCSNSGZDQ-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028996161 813736683 /nfs/dbraw/zinc/73/66/83/813736683.db2.gz BGZXZWCSNSGZDQ-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028996161 813736687 /nfs/dbraw/zinc/73/66/87/813736687.db2.gz BGZXZWCSNSGZDQ-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001271892665 814622470 /nfs/dbraw/zinc/62/24/70/814622470.db2.gz VGFUNLSCWWXWTK-GASCZTMLSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001271892665 814622474 /nfs/dbraw/zinc/62/24/74/814622474.db2.gz VGFUNLSCWWXWTK-GASCZTMLSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001271892665 814622479 /nfs/dbraw/zinc/62/24/79/814622479.db2.gz VGFUNLSCWWXWTK-GASCZTMLSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168136001 814717607 /nfs/dbraw/zinc/71/76/07/814717607.db2.gz DSXPKSMWMPTYMU-CYBMUJFWSA-N 2 1 263.385 0.447 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001088494078 814743018 /nfs/dbraw/zinc/74/30/18/814743018.db2.gz KKGAFOWEIFKOTP-AGIUHOORSA-N 2 1 251.374 0.846 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001088494078 814743021 /nfs/dbraw/zinc/74/30/21/814743021.db2.gz KKGAFOWEIFKOTP-AGIUHOORSA-N 2 1 251.374 0.846 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088494078 814743022 /nfs/dbraw/zinc/74/30/22/814743022.db2.gz KKGAFOWEIFKOTP-AGIUHOORSA-N 2 1 251.374 0.846 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001088494078 814743026 /nfs/dbraw/zinc/74/30/26/814743026.db2.gz KKGAFOWEIFKOTP-AGIUHOORSA-N 2 1 251.374 0.846 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083644449 815591027 /nfs/dbraw/zinc/59/10/27/815591027.db2.gz HKACGLMEOVPWDA-CABCVRRESA-N 2 1 298.346 0.133 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668580 815640083 /nfs/dbraw/zinc/64/00/83/815640083.db2.gz WDYCKFYBTAMUMA-ILXRZTDVSA-N 2 1 293.411 0.208 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668580 815640085 /nfs/dbraw/zinc/64/00/85/815640085.db2.gz WDYCKFYBTAMUMA-ILXRZTDVSA-N 2 1 293.411 0.208 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030161620 815854381 /nfs/dbraw/zinc/85/43/81/815854381.db2.gz OPBNCDNHCRFDPD-CYBMUJFWSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030161620 815854389 /nfs/dbraw/zinc/85/43/89/815854389.db2.gz OPBNCDNHCRFDPD-CYBMUJFWSA-N 2 1 251.374 0.847 20 30 CCEDMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001272384234 816379252 /nfs/dbraw/zinc/37/92/52/816379252.db2.gz NUBSMQFFTZFRJG-LSDHHAIUSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106432238 816770707 /nfs/dbraw/zinc/77/07/07/816770707.db2.gz RCYVZOUEERZUBR-TZMCWYRMSA-N 2 1 274.368 0.509 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031385494 817021045 /nfs/dbraw/zinc/02/10/45/817021045.db2.gz GEDNZMZRBDURLM-LBPRGKRZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031385494 817021052 /nfs/dbraw/zinc/02/10/52/817021052.db2.gz GEDNZMZRBDURLM-LBPRGKRZSA-N 2 1 251.374 0.705 20 30 CCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031596809 817174235 /nfs/dbraw/zinc/17/42/35/817174235.db2.gz PJGMRVDQXGFEGZ-CQSZACIVSA-N 2 1 281.400 0.331 20 30 CCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031596809 817174240 /nfs/dbraw/zinc/17/42/40/817174240.db2.gz PJGMRVDQXGFEGZ-CQSZACIVSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031728955 817295246 /nfs/dbraw/zinc/29/52/46/817295246.db2.gz DSQYWWMHRRNKGS-HNNXBMFYSA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031728955 817295254 /nfs/dbraw/zinc/29/52/54/817295254.db2.gz DSQYWWMHRRNKGS-HNNXBMFYSA-N 2 1 277.412 0.646 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031765082 817348584 /nfs/dbraw/zinc/34/85/84/817348584.db2.gz UNBPWCIKRKUWFE-UHFFFAOYSA-N 2 1 289.423 0.934 20 30 CCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765948 817349224 /nfs/dbraw/zinc/34/92/24/817349224.db2.gz WAIVOLNKDWFMIY-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765948 817349230 /nfs/dbraw/zinc/34/92/30/817349230.db2.gz WAIVOLNKDWFMIY-UKRRQHHQSA-N 2 1 295.427 0.720 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031975928 817512860 /nfs/dbraw/zinc/51/28/60/817512860.db2.gz BSISFZWKBABFDA-GXTWGEPZSA-N 2 1 263.385 0.255 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031975928 817512866 /nfs/dbraw/zinc/51/28/66/817512866.db2.gz BSISFZWKBABFDA-GXTWGEPZSA-N 2 1 263.385 0.255 20 30 CCEDMP C=CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031978436 817516128 /nfs/dbraw/zinc/51/61/28/817516128.db2.gz SSNKPNGEJVRMKV-DGCLKSJQSA-N 2 1 251.374 0.418 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127707274 817753552 /nfs/dbraw/zinc/75/35/52/817753552.db2.gz YDNKITWWJHFGNZ-QWHCGFSZSA-N 2 1 253.390 0.999 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077679121 817984457 /nfs/dbraw/zinc/98/44/57/817984457.db2.gz HWIULBYEJYYAFG-BFHYXJOUSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032981808 818405807 /nfs/dbraw/zinc/40/58/07/818405807.db2.gz UHYKADQRJMNAOS-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032981808 818405809 /nfs/dbraw/zinc/40/58/09/818405809.db2.gz UHYKADQRJMNAOS-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032981808 818405812 /nfs/dbraw/zinc/40/58/12/818405812.db2.gz UHYKADQRJMNAOS-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032981808 818405816 /nfs/dbraw/zinc/40/58/16/818405816.db2.gz UHYKADQRJMNAOS-KBPBESRZSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001273019054 818433485 /nfs/dbraw/zinc/43/34/85/818433485.db2.gz RMWSBPLJSWDLMT-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC)C1 ZINC001033161624 818585701 /nfs/dbraw/zinc/58/57/01/818585701.db2.gz OGSRZZIPDRBVFR-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC)C1 ZINC001033161624 818585708 /nfs/dbraw/zinc/58/57/08/818585708.db2.gz OGSRZZIPDRBVFR-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC)C1 ZINC001033161624 818585713 /nfs/dbraw/zinc/58/57/13/818585713.db2.gz OGSRZZIPDRBVFR-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC)C1 ZINC001033161624 818585720 /nfs/dbraw/zinc/58/57/20/818585720.db2.gz OGSRZZIPDRBVFR-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033580460 818837121 /nfs/dbraw/zinc/83/71/21/818837121.db2.gz FBKXGBSZEVAFGZ-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033580460 818837125 /nfs/dbraw/zinc/83/71/25/818837125.db2.gz FBKXGBSZEVAFGZ-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033580460 818837130 /nfs/dbraw/zinc/83/71/30/818837130.db2.gz FBKXGBSZEVAFGZ-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082742059 821029812 /nfs/dbraw/zinc/02/98/12/821029812.db2.gz PLKDYEHERPPYRU-BFHYXJOUSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799307 821959334 /nfs/dbraw/zinc/95/93/34/821959334.db2.gz OLEROZGAXXEVTQ-CQSZACIVSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799307 821959343 /nfs/dbraw/zinc/95/93/43/821959343.db2.gz OLEROZGAXXEVTQ-CQSZACIVSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC)CC1 ZINC001085986717 822054390 /nfs/dbraw/zinc/05/43/90/822054390.db2.gz LMHVNNSFXBBDOT-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169983437 836627928 /nfs/dbraw/zinc/62/79/28/836627928.db2.gz UGAXAYNPHQEVEI-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169983437 836627932 /nfs/dbraw/zinc/62/79/32/836627932.db2.gz UGAXAYNPHQEVEI-ZIAGYGMSSA-N 2 1 283.416 0.768 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387578 836647369 /nfs/dbraw/zinc/64/73/69/836647369.db2.gz WVVJTKCKFULARL-CQSZACIVSA-N 2 1 293.415 0.485 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433303 836761801 /nfs/dbraw/zinc/76/18/01/836761801.db2.gz PODHNCXGQJMKAE-UONOGXRCSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090433303 836761806 /nfs/dbraw/zinc/76/18/06/836761806.db2.gz PODHNCXGQJMKAE-UONOGXRCSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001113345808 837092311 /nfs/dbraw/zinc/09/23/11/837092311.db2.gz GSDUWMKPBRSVLN-GJZGRUSLSA-N 2 1 295.427 0.531 20 30 CCEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001113345808 837092321 /nfs/dbraw/zinc/09/23/21/837092321.db2.gz GSDUWMKPBRSVLN-GJZGRUSLSA-N 2 1 295.427 0.531 20 30 CCEDMP C=C(C)C[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545425 837155408 /nfs/dbraw/zinc/15/54/08/837155408.db2.gz OGVVAGMCHDBZCP-UHFFFAOYSA-N 2 1 269.389 0.285 20 30 CCEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681426 838172722 /nfs/dbraw/zinc/17/27/22/838172722.db2.gz BKVKALLXUJMBFA-GOEBONIOSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132353347 838365223 /nfs/dbraw/zinc/36/52/23/838365223.db2.gz FNAVUZFSGXAOLU-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132353347 838365229 /nfs/dbraw/zinc/36/52/29/838365229.db2.gz FNAVUZFSGXAOLU-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132409742 838389898 /nfs/dbraw/zinc/38/98/98/838389898.db2.gz DNZREUDXLDAAFA-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409742 838389905 /nfs/dbraw/zinc/38/99/05/838389905.db2.gz DNZREUDXLDAAFA-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409742 838389910 /nfs/dbraw/zinc/38/99/10/838389910.db2.gz DNZREUDXLDAAFA-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132977341 838528582 /nfs/dbraw/zinc/52/85/82/838528582.db2.gz LCIYWPORVUMSLH-ZFWWWQNUSA-N 2 1 288.395 0.899 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133313253 838597998 /nfs/dbraw/zinc/59/79/98/838597998.db2.gz BYXFMUJQTHFNBS-HIFRSBDPSA-N 2 1 288.395 0.899 20 30 CCEDMP C=C(CO)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC001136542163 839653345 /nfs/dbraw/zinc/65/33/45/839653345.db2.gz YYFJMYYHMBDULA-CQSZACIVSA-N 2 1 283.416 0.409 20 30 CCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCN/C(=C/C)NC=[NH2+] ZINC001171067834 839814526 /nfs/dbraw/zinc/81/45/26/839814526.db2.gz FFKXLYDYZKWZFR-JXMFCEOTSA-N 2 1 268.361 0.861 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090811630 839829173 /nfs/dbraw/zinc/82/91/73/839829173.db2.gz CRUBYAKWIRSYLJ-CABCVRRESA-N 2 1 295.427 0.600 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001091377720 840196071 /nfs/dbraw/zinc/19/60/71/840196071.db2.gz WFTFCUUUMHOOQF-YMAMQOFZSA-N 2 1 277.412 0.978 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCO ZINC001171307378 840606268 /nfs/dbraw/zinc/60/62/68/840606268.db2.gz IKHILBAXSIBYLS-GJZGRUSLSA-N 2 1 295.427 0.341 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCO ZINC001171307378 840606275 /nfs/dbraw/zinc/60/62/75/840606275.db2.gz IKHILBAXSIBYLS-GJZGRUSLSA-N 2 1 295.427 0.341 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216626 840765191 /nfs/dbraw/zinc/76/51/91/840765191.db2.gz QEMZDQXEEFSYTG-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275559 841005770 /nfs/dbraw/zinc/00/57/70/841005770.db2.gz IZTKOVKMVSHUIH-WBVHZDCISA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@H](C)C1 ZINC001092694193 841054692 /nfs/dbraw/zinc/05/46/92/841054692.db2.gz HTUPLXUUKZSOOB-AAVRWANBSA-N 2 1 286.379 0.831 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036895874 841663823 /nfs/dbraw/zinc/66/38/23/841663823.db2.gz FWJYWKVDYCGBJA-LSDHHAIUSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171487643 841726749 /nfs/dbraw/zinc/72/67/49/841726749.db2.gz XEGQNMJZGFWOJX-RRFJBIMHSA-N 2 1 295.427 0.603 20 30 CCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171487643 841726756 /nfs/dbraw/zinc/72/67/56/841726756.db2.gz XEGQNMJZGFWOJX-RRFJBIMHSA-N 2 1 295.427 0.603 20 30 CCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176685440 842397731 /nfs/dbraw/zinc/39/77/31/842397731.db2.gz BOQBNWSTTBPXIG-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176685440 842397743 /nfs/dbraw/zinc/39/77/43/842397743.db2.gz BOQBNWSTTBPXIG-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ncc[nH]2)C1 ZINC001192581104 845878350 /nfs/dbraw/zinc/87/83/50/845878350.db2.gz SLDQUUYLKHREKO-CHWSQXEVSA-N 2 1 292.383 0.470 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570821 846109886 /nfs/dbraw/zinc/10/98/86/846109886.db2.gz OHFAVWNPXKIRIF-CQSZACIVSA-N 2 1 265.401 0.884 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196132655 846688514 /nfs/dbraw/zinc/68/85/14/846688514.db2.gz ULIAKXRGGOJWQN-QLFBSQMISA-N 2 1 295.427 0.291 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196132655 846688519 /nfs/dbraw/zinc/68/85/19/846688519.db2.gz ULIAKXRGGOJWQN-QLFBSQMISA-N 2 1 295.427 0.291 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197049434 846831987 /nfs/dbraw/zinc/83/19/87/846831987.db2.gz QEJMJVFUGCSYDE-UHFFFAOYSA-N 2 1 251.374 0.496 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200643393 847679174 /nfs/dbraw/zinc/67/91/74/847679174.db2.gz BZRNCRMWRYVOIF-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056639 847851659 /nfs/dbraw/zinc/85/16/59/847851659.db2.gz AKIPUSSMNDRINB-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114464227 848074674 /nfs/dbraw/zinc/07/46/74/848074674.db2.gz RFZSZSAHMKJGOC-RQJABVFESA-N 2 1 263.385 0.396 20 30 CCEDMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](CCCC#N)C2)OCC1=O ZINC001274039986 848315405 /nfs/dbraw/zinc/31/54/05/848315405.db2.gz POXHHOVIGBJFAH-OAHLLOKOSA-N 2 1 294.399 0.155 20 30 CCEDMP C=C[C@](C)(O)C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274614105 848523722 /nfs/dbraw/zinc/52/37/22/848523722.db2.gz BBZGVANRGWRKPD-HOTGVXAUSA-N 2 1 295.427 0.409 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001274791446 848566844 /nfs/dbraw/zinc/56/68/44/848566844.db2.gz JYZZBYCNFCZUDX-KGLIPLIRSA-N 2 1 261.369 0.202 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001274791446 848566848 /nfs/dbraw/zinc/56/68/48/848566848.db2.gz JYZZBYCNFCZUDX-KGLIPLIRSA-N 2 1 261.369 0.202 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038453139 849906293 /nfs/dbraw/zinc/90/62/93/849906293.db2.gz DZIODLLQBBSZNX-CQSZACIVSA-N 2 1 275.396 0.829 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038453139 849906296 /nfs/dbraw/zinc/90/62/96/849906296.db2.gz DZIODLLQBBSZNX-CQSZACIVSA-N 2 1 275.396 0.829 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001039042355 850137740 /nfs/dbraw/zinc/13/77/40/850137740.db2.gz QLGFVJFBVGVXKF-INIZCTEOSA-N 2 1 287.407 0.545 20 30 CCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046567802 851552143 /nfs/dbraw/zinc/55/21/43/851552143.db2.gz LEAXNSFPOSIRTI-GOEBONIOSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046567802 851552152 /nfs/dbraw/zinc/55/21/52/851552152.db2.gz LEAXNSFPOSIRTI-GOEBONIOSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567802 851552158 /nfs/dbraw/zinc/55/21/58/851552158.db2.gz LEAXNSFPOSIRTI-GOEBONIOSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567802 851552166 /nfs/dbraw/zinc/55/21/66/851552166.db2.gz LEAXNSFPOSIRTI-GOEBONIOSA-N 2 1 295.427 0.862 20 30 CCEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046839285 851626565 /nfs/dbraw/zinc/62/65/65/851626565.db2.gz QEXSQJZDWJJXCH-ZFWWWQNUSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046839285 851626567 /nfs/dbraw/zinc/62/65/67/851626567.db2.gz QEXSQJZDWJJXCH-ZFWWWQNUSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046839285 851626571 /nfs/dbraw/zinc/62/65/71/851626571.db2.gz QEXSQJZDWJJXCH-ZFWWWQNUSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046846358 851628641 /nfs/dbraw/zinc/62/86/41/851628641.db2.gz UDWFZDIEMKJURL-ZBFHGGJFSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046846358 851628646 /nfs/dbraw/zinc/62/86/46/851628646.db2.gz UDWFZDIEMKJURL-ZBFHGGJFSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046846358 851628648 /nfs/dbraw/zinc/62/86/48/851628648.db2.gz UDWFZDIEMKJURL-ZBFHGGJFSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046846358 851628654 /nfs/dbraw/zinc/62/86/54/851628654.db2.gz UDWFZDIEMKJURL-ZBFHGGJFSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047324477 851716168 /nfs/dbraw/zinc/71/61/68/851716168.db2.gz QBNNIOOLSBYJQO-ILXRZTDVSA-N 2 1 295.427 0.550 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047381784 851746203 /nfs/dbraw/zinc/74/62/03/851746203.db2.gz RSFWQBSJBNWWCJ-ILXRZTDVSA-N 2 1 293.411 0.018 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047381784 851746208 /nfs/dbraw/zinc/74/62/08/851746208.db2.gz RSFWQBSJBNWWCJ-ILXRZTDVSA-N 2 1 293.411 0.018 20 30 CCEDMP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001047500997 851791802 /nfs/dbraw/zinc/79/18/02/851791802.db2.gz LEMBVGCNODYHNY-AJNGGQMLSA-N 2 1 295.427 0.406 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001047500997 851791809 /nfs/dbraw/zinc/79/18/09/851791809.db2.gz LEMBVGCNODYHNY-AJNGGQMLSA-N 2 1 295.427 0.406 20 30 CCEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001047500997 851791817 /nfs/dbraw/zinc/79/18/17/851791817.db2.gz LEMBVGCNODYHNY-AJNGGQMLSA-N 2 1 295.427 0.406 20 30 CCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001047500997 851791824 /nfs/dbraw/zinc/79/18/24/851791824.db2.gz LEMBVGCNODYHNY-AJNGGQMLSA-N 2 1 295.427 0.406 20 30 CCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001047500997 851791831 /nfs/dbraw/zinc/79/18/31/851791831.db2.gz LEMBVGCNODYHNY-AJNGGQMLSA-N 2 1 295.427 0.406 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001491546281 903671071 /nfs/dbraw/zinc/67/10/71/903671071.db2.gz CMKDZCUYZJOHQO-WDEREUQCSA-N 2 1 259.781 0.927 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049097947 852163391 /nfs/dbraw/zinc/16/33/91/852163391.db2.gz YJYBCTHNPVANSI-IYBDPMFKSA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050472515 853381793 /nfs/dbraw/zinc/38/17/93/853381793.db2.gz VHJVQKCLOMYRAD-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050472515 853381800 /nfs/dbraw/zinc/38/18/00/853381800.db2.gz VHJVQKCLOMYRAD-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052274973 853720182 /nfs/dbraw/zinc/72/01/82/853720182.db2.gz DRXSVUHWKWEVSY-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052274973 853720188 /nfs/dbraw/zinc/72/01/88/853720188.db2.gz DRXSVUHWKWEVSY-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052274973 853720192 /nfs/dbraw/zinc/72/01/92/853720192.db2.gz DRXSVUHWKWEVSY-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052274973 853720198 /nfs/dbraw/zinc/72/01/98/853720198.db2.gz DRXSVUHWKWEVSY-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001073661700 854627455 /nfs/dbraw/zinc/62/74/55/854627455.db2.gz BUAHTHVOMGGSAY-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661700 854627456 /nfs/dbraw/zinc/62/74/56/854627456.db2.gz BUAHTHVOMGGSAY-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661700 854627458 /nfs/dbraw/zinc/62/74/58/854627458.db2.gz BUAHTHVOMGGSAY-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073890336 854659495 /nfs/dbraw/zinc/65/94/95/854659495.db2.gz CGXFKCBLUDBWBD-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073890336 854659496 /nfs/dbraw/zinc/65/94/96/854659496.db2.gz CGXFKCBLUDBWBD-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073890336 854659501 /nfs/dbraw/zinc/65/95/01/854659501.db2.gz CGXFKCBLUDBWBD-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001099159933 854918036 /nfs/dbraw/zinc/91/80/36/854918036.db2.gz MIRSDGJUGNRFRI-YCPHGPKFSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001099159933 854918043 /nfs/dbraw/zinc/91/80/43/854918043.db2.gz MIRSDGJUGNRFRI-YCPHGPKFSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001099159933 854918050 /nfs/dbraw/zinc/91/80/50/854918050.db2.gz MIRSDGJUGNRFRI-YCPHGPKFSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872518 855012981 /nfs/dbraw/zinc/01/29/81/855012981.db2.gz VIZKRIXLRUHEJB-UONOGXRCSA-N 2 1 293.411 0.045 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001100016998 855073378 /nfs/dbraw/zinc/07/33/78/855073378.db2.gz CMPFDFLKSGKYQE-ZIAGYGMSSA-N 2 1 292.383 0.470 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100131557 855104178 /nfs/dbraw/zinc/10/41/78/855104178.db2.gz FIOHQENQKHXTID-HUUCEWRRSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131557 855104184 /nfs/dbraw/zinc/10/41/84/855104184.db2.gz FIOHQENQKHXTID-HUUCEWRRSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131557 855104195 /nfs/dbraw/zinc/10/41/95/855104195.db2.gz FIOHQENQKHXTID-HUUCEWRRSA-N 2 1 297.443 0.844 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001100873013 855233052 /nfs/dbraw/zinc/23/30/52/855233052.db2.gz RHGRRZSRKWAZHC-IYXRBSQSSA-N 2 1 263.385 0.446 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115304185 855660593 /nfs/dbraw/zinc/66/05/93/855660593.db2.gz PEHVFANFRJNSAZ-NHAGDIPZSA-N 2 1 263.385 0.396 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115304185 855660590 /nfs/dbraw/zinc/66/05/90/855660590.db2.gz PEHVFANFRJNSAZ-NHAGDIPZSA-N 2 1 263.385 0.396 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115304185 855660591 /nfs/dbraw/zinc/66/05/91/855660591.db2.gz PEHVFANFRJNSAZ-NHAGDIPZSA-N 2 1 263.385 0.396 20 30 CCEDMP C=CC[N@H+](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001480947213 891924627 /nfs/dbraw/zinc/92/46/27/891924627.db2.gz NAHQLQHWGZLCKK-CYBMUJFWSA-N 2 1 269.389 0.189 20 30 CCEDMP CC#CC[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480997808 892038784 /nfs/dbraw/zinc/03/87/84/892038784.db2.gz LZHQAKNJTZYUFX-UHFFFAOYSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001481096984 892161958 /nfs/dbraw/zinc/16/19/58/892161958.db2.gz WPYWSFFWZYPIAQ-KGLIPLIRSA-N 2 1 283.391 0.738 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481492687 892739766 /nfs/dbraw/zinc/73/97/66/892739766.db2.gz XKBYOUXTSJLOQB-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481492687 892739777 /nfs/dbraw/zinc/73/97/77/892739777.db2.gz XKBYOUXTSJLOQB-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001481492687 892739782 /nfs/dbraw/zinc/73/97/82/892739782.db2.gz XKBYOUXTSJLOQB-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481506809 892754259 /nfs/dbraw/zinc/75/42/59/892754259.db2.gz LCZAYKKIUPVORA-ZIAGYGMSSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001481506809 892754261 /nfs/dbraw/zinc/75/42/61/892754261.db2.gz LCZAYKKIUPVORA-ZIAGYGMSSA-N 2 1 265.401 0.904 20 30 CCEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481506809 892754266 /nfs/dbraw/zinc/75/42/66/892754266.db2.gz LCZAYKKIUPVORA-ZIAGYGMSSA-N 2 1 265.401 0.904 20 30 CCEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481538699 892783148 /nfs/dbraw/zinc/78/31/48/892783148.db2.gz OHLOVRPQVXEJCY-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481538699 892783160 /nfs/dbraw/zinc/78/31/60/892783160.db2.gz OHLOVRPQVXEJCY-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001481538699 892783170 /nfs/dbraw/zinc/78/31/70/892783170.db2.gz OHLOVRPQVXEJCY-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481538699 892783178 /nfs/dbraw/zinc/78/31/78/892783178.db2.gz OHLOVRPQVXEJCY-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001481696274 893028615 /nfs/dbraw/zinc/02/86/15/893028615.db2.gz VHDOCFAIKQZTCX-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481696274 893028634 /nfs/dbraw/zinc/02/86/34/893028634.db2.gz VHDOCFAIKQZTCX-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481696274 893028657 /nfs/dbraw/zinc/02/86/57/893028657.db2.gz VHDOCFAIKQZTCX-KBPBESRZSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482170059 893455591 /nfs/dbraw/zinc/45/55/91/893455591.db2.gz YPNRLROPFIALOB-OLZOCXBDSA-N 2 1 251.374 0.303 20 30 CCEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001482518350 894176489 /nfs/dbraw/zinc/17/64/89/894176489.db2.gz OWPGNAUYWVTLCO-GJZGRUSLSA-N 2 1 295.427 0.461 20 30 CCEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001482848730 894647992 /nfs/dbraw/zinc/64/79/92/894647992.db2.gz SWOKJQHCHHOFJA-GFCCVEGCSA-N 2 1 292.383 0.858 20 30 CCEDMP CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1CCC[N@H+]1C ZINC001482942880 894712532 /nfs/dbraw/zinc/71/25/32/894712532.db2.gz VXMAPEJNHHXJOX-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001483508706 895620834 /nfs/dbraw/zinc/62/08/34/895620834.db2.gz ANCCMBDZQATEJB-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001483508706 895620840 /nfs/dbraw/zinc/62/08/40/895620840.db2.gz ANCCMBDZQATEJB-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP CC#CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483597903 895672997 /nfs/dbraw/zinc/67/29/97/895672997.db2.gz DLJRPMRBIMDGAG-DZGCQCFKSA-N 2 1 277.412 0.836 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483941212 896126822 /nfs/dbraw/zinc/12/68/22/896126822.db2.gz PUBKZNPGMUNQGR-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)CCc2cnc[nH]2)CCC1 ZINC001484636410 896509697 /nfs/dbraw/zinc/50/96/97/896509697.db2.gz BHVMZMKVBLRZSB-UHFFFAOYSA-N 2 1 274.368 0.994 20 30 CCEDMP C#CC[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C(C)C ZINC001484769223 896600210 /nfs/dbraw/zinc/60/02/10/896600210.db2.gz QGJYDJGLJUGJGM-UHFFFAOYSA-N 2 1 253.390 0.740 20 30 CCEDMP C#CC[N@H+](C)CCCN(C)C(=O)C[NH+](C)C(C)C ZINC001484769223 896600216 /nfs/dbraw/zinc/60/02/16/896600216.db2.gz QGJYDJGLJUGJGM-UHFFFAOYSA-N 2 1 253.390 0.740 20 30 CCEDMP C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001485095804 896774692 /nfs/dbraw/zinc/77/46/92/896774692.db2.gz DVUVYANGRUFEBI-NRXISQOPSA-N 2 1 277.412 0.978 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001485382463 897007516 /nfs/dbraw/zinc/00/75/16/897007516.db2.gz FLDMFQAIDRMMGT-UONOGXRCSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485382463 897007525 /nfs/dbraw/zinc/00/75/25/897007525.db2.gz FLDMFQAIDRMMGT-UONOGXRCSA-N 2 1 281.400 0.024 20 30 CCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485382463 897007540 /nfs/dbraw/zinc/00/75/40/897007540.db2.gz FLDMFQAIDRMMGT-UONOGXRCSA-N 2 1 281.400 0.024 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001485539256 897108063 /nfs/dbraw/zinc/10/80/63/897108063.db2.gz ISLLYEMQDXVWOT-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212416257 897905321 /nfs/dbraw/zinc/90/53/21/897905321.db2.gz FQASEQYKOVVSLF-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212416257 897905326 /nfs/dbraw/zinc/90/53/26/897905326.db2.gz FQASEQYKOVVSLF-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212416257 897905330 /nfs/dbraw/zinc/90/53/30/897905330.db2.gz FQASEQYKOVVSLF-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077927701 898062438 /nfs/dbraw/zinc/06/24/38/898062438.db2.gz AVIUDRIAYBEMTL-HUUCEWRRSA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077927701 898062458 /nfs/dbraw/zinc/06/24/58/898062458.db2.gz AVIUDRIAYBEMTL-HUUCEWRRSA-N 2 1 295.427 0.454 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485956613 898518634 /nfs/dbraw/zinc/51/86/34/898518634.db2.gz YQNZXJOSPKELKL-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001485996704 898584017 /nfs/dbraw/zinc/58/40/17/898584017.db2.gz RJEZPRDDZPHESL-HZSPNIEDSA-N 2 1 283.416 0.360 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCO1 ZINC001327033952 914325503 /nfs/dbraw/zinc/32/55/03/914325503.db2.gz GVZCLULOCBDTST-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001488954693 900420522 /nfs/dbraw/zinc/42/05/22/900420522.db2.gz KXGKQDWHJFLMBE-QLFBSQMISA-N 2 1 277.412 0.836 20 30 CCEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001489213564 900448696 /nfs/dbraw/zinc/44/86/96/900448696.db2.gz DNLXJWPYRLXMHA-UHFFFAOYSA-N 2 1 295.427 0.511 20 30 CCEDMP CC#CC[N@@H+](C)CCCNC(=O)Cc1[nH]cnc1C ZINC001490275809 900589730 /nfs/dbraw/zinc/58/97/30/900589730.db2.gz HRFDSVPHYUBUOS-UHFFFAOYSA-N 2 1 262.357 0.722 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275639200 901162453 /nfs/dbraw/zinc/16/24/53/901162453.db2.gz TUSILQVFUALFGT-AWEZNQCLSA-N 2 1 295.427 0.415 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001326801805 901906605 /nfs/dbraw/zinc/90/66/05/901906605.db2.gz JLASHCJSLBAEFV-ZDUSSCGKSA-N 2 1 281.400 0.522 20 30 CCEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001326801805 901906613 /nfs/dbraw/zinc/90/66/13/901906613.db2.gz JLASHCJSLBAEFV-ZDUSSCGKSA-N 2 1 281.400 0.522 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001491220699 903452914 /nfs/dbraw/zinc/45/29/14/903452914.db2.gz HNIAXNNDZUCADB-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]C/C=C/Cl ZINC001491487347 903620966 /nfs/dbraw/zinc/62/09/66/903620966.db2.gz ZTUZJMHGOPADHT-YTDWTQRBSA-N 2 1 283.803 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]C/C=C/Cl ZINC001491487347 903620970 /nfs/dbraw/zinc/62/09/70/903620970.db2.gz ZTUZJMHGOPADHT-YTDWTQRBSA-N 2 1 283.803 0.931 20 30 CCEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001281645039 904314894 /nfs/dbraw/zinc/31/48/94/904314894.db2.gz RZZFMMDMUAIXEG-UHFFFAOYSA-N 2 1 295.427 0.293 20 30 CCEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001281991293 904381808 /nfs/dbraw/zinc/38/18/08/904381808.db2.gz VUKFTFZSCKJMSW-YMAMQOFZSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001281991293 904381821 /nfs/dbraw/zinc/38/18/21/904381821.db2.gz VUKFTFZSCKJMSW-YMAMQOFZSA-N 2 1 295.427 0.768 20 30 CCEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001284501414 905334290 /nfs/dbraw/zinc/33/42/90/905334290.db2.gz DHKLDKRTHGIZFV-GJZGRUSLSA-N 2 1 295.427 0.245 20 30 CCEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001284854555 905443767 /nfs/dbraw/zinc/44/37/67/905443767.db2.gz JDDIIKXXHMXFFP-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1C ZINC001337156352 921203380 /nfs/dbraw/zinc/20/33/80/921203380.db2.gz JSHULLFSHBFOCX-LFPJIICWSA-N 2 1 292.383 0.585 20 30 CCEDMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1C ZINC001337156351 921204246 /nfs/dbraw/zinc/20/42/46/921204246.db2.gz JSHULLFSHBFOCX-JLYMINNFSA-N 2 1 292.383 0.585 20 30 CCEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001382236001 907632590 /nfs/dbraw/zinc/63/25/90/907632590.db2.gz OMONEZOCADEZTC-NSHDSACASA-N 2 1 289.807 0.147 20 30 CCEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001492026947 907696303 /nfs/dbraw/zinc/69/63/03/907696303.db2.gz FRIBHDATCIGABL-BFHYXJOUSA-N 2 1 265.401 0.834 20 30 CCEDMP C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001492126933 907712438 /nfs/dbraw/zinc/71/24/38/907712438.db2.gz BZLXUIOXMRZTQP-OLZOCXBDSA-N 2 1 253.390 0.999 20 30 CCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001316971212 908887707 /nfs/dbraw/zinc/88/77/07/908887707.db2.gz AVXCMVHFUDVOPL-UHFFFAOYSA-N 2 1 294.443 0.085 20 30 CCEDMP CC#CC[NH+]1CCN(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001316971212 908887724 /nfs/dbraw/zinc/88/77/24/908887724.db2.gz AVXCMVHFUDVOPL-UHFFFAOYSA-N 2 1 294.443 0.085 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001319533419 910189870 /nfs/dbraw/zinc/18/98/70/910189870.db2.gz FUEBZBHUAYFWAN-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001319604144 910223209 /nfs/dbraw/zinc/22/32/09/910223209.db2.gz KGAYYJSKZWBVBH-KBPBESRZSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001320043037 910434007 /nfs/dbraw/zinc/43/40/07/910434007.db2.gz SYJKQWFKLYOIPA-UHFFFAOYSA-N 2 1 267.417 0.988 20 30 CCEDMP C#CC[NH+](C)CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001320043037 910434015 /nfs/dbraw/zinc/43/40/15/910434015.db2.gz SYJKQWFKLYOIPA-UHFFFAOYSA-N 2 1 267.417 0.988 20 30 CCEDMP C#CC[NH+](C)CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001320043037 910434018 /nfs/dbraw/zinc/43/40/18/910434018.db2.gz SYJKQWFKLYOIPA-UHFFFAOYSA-N 2 1 267.417 0.988 20 30 CCEDMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001320642938 910776532 /nfs/dbraw/zinc/77/65/32/910776532.db2.gz CIOUTINYYVPGCK-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001320642938 910776547 /nfs/dbraw/zinc/77/65/47/910776547.db2.gz CIOUTINYYVPGCK-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001330445103 916635698 /nfs/dbraw/zinc/63/56/98/916635698.db2.gz JMVUXQJQKBHLOU-KBPBESRZSA-N 2 1 281.400 0.165 20 30 CCEDMP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001330987302 917005657 /nfs/dbraw/zinc/00/56/57/917005657.db2.gz JMPSZORGELCZKW-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001330987302 917005670 /nfs/dbraw/zinc/00/56/70/917005670.db2.gz JMPSZORGELCZKW-KBPBESRZSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC ZINC001331476072 917357998 /nfs/dbraw/zinc/35/79/98/917357998.db2.gz SJZBGBDYWHOHKH-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC ZINC001331476072 917358004 /nfs/dbraw/zinc/35/80/04/917358004.db2.gz SJZBGBDYWHOHKH-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC001331850687 917659929 /nfs/dbraw/zinc/65/99/29/917659929.db2.gz OXKAZWNADTUZFF-AWEZNQCLSA-N 2 1 292.383 0.853 20 30 CCEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001332647442 918347010 /nfs/dbraw/zinc/34/70/10/918347010.db2.gz KMBWZQFDVGZPLF-AWEZNQCLSA-N 2 1 292.383 0.048 20 30 CCEDMP C=C(C)[C@H](CO)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001333537290 918981821 /nfs/dbraw/zinc/98/18/21/918981821.db2.gz OSPWTKWOTKNYDI-AWEZNQCLSA-N 2 1 279.388 0.353 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC001339772252 921822420 /nfs/dbraw/zinc/82/24/20/921822420.db2.gz LORJGALRDZCFFS-CQSZACIVSA-N 2 1 292.427 0.725 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001341677068 922624620 /nfs/dbraw/zinc/62/46/20/922624620.db2.gz JFNSSTYZOHNCNW-IHRRRGAJSA-N 2 1 281.400 0.649 20 30 CCEDMP CC1(C)CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001345491617 923905699 /nfs/dbraw/zinc/90/56/99/923905699.db2.gz VQCPIKYGBLKZKH-LBPRGKRZSA-N 2 1 266.389 0.856 20 30 CCEDMP C#CC[NH2+]CC(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001354513100 926122148 /nfs/dbraw/zinc/12/21/48/926122148.db2.gz YQWGDZPYWGCTDZ-LBPRGKRZSA-N 2 1 257.337 0.688 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CO[C@H](C)COC)CC1 ZINC001356610353 926410416 /nfs/dbraw/zinc/41/04/16/926410416.db2.gz NSBMDSQQXZEVPM-ZBFHGGJFSA-N 2 1 298.427 0.476 20 30 CCEDMP C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507827 365663838 /nfs/dbraw/zinc/66/38/38/365663838.db2.gz KPBDLZCPTNGVGP-ZNMIVQPWSA-N 2 1 297.443 0.966 20 30 CCEDMP C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507827 365663841 /nfs/dbraw/zinc/66/38/41/365663841.db2.gz KPBDLZCPTNGVGP-ZNMIVQPWSA-N 2 1 297.443 0.966 20 30 CCEDMP C=C(C)C[NH+]1CCC(NC(=O)CN2CC[NH+](C)CC2)CC1 ZINC000111613905 349773842 /nfs/dbraw/zinc/77/38/42/349773842.db2.gz HAPJLRHKEIMWKW-UHFFFAOYSA-N 2 1 294.443 0.391 20 30 CCEDMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602847333 362834987 /nfs/dbraw/zinc/83/49/87/362834987.db2.gz AITGNAWGYHTAHL-KFWWJZLASA-N 2 1 282.432 0.606 20 30 CCEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000591726615 359648514 /nfs/dbraw/zinc/64/85/14/359648514.db2.gz WDLKNHBZXUYWJP-SOUVJXGZSA-N 2 1 280.416 0.409 20 30 CCEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000611266463 363699192 /nfs/dbraw/zinc/69/91/92/363699192.db2.gz YJKNOMPHPAODRW-HUUCEWRRSA-N 2 1 267.417 0.635 20 30 CCEDMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1C ZINC000594437833 360306177 /nfs/dbraw/zinc/30/61/77/360306177.db2.gz KZMCVOVKAXODGO-AGIUHOORSA-N 2 1 266.389 0.997 20 30 CCEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C[NH+]1CCOCC1 ZINC000594437535 360305901 /nfs/dbraw/zinc/30/59/01/360305901.db2.gz JVBUWYBVAOTVJT-KGLIPLIRSA-N 2 1 296.415 0.482 20 30 CCEDMP C=CC[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000629549300 369701187 /nfs/dbraw/zinc/70/11/87/369701187.db2.gz JUSPBQZGHVHOAK-ZDUSSCGKSA-N 2 1 251.374 0.706 20 30 CCEDMP C=CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000656479604 412810130 /nfs/dbraw/zinc/81/01/30/412810130.db2.gz VHGQNIPLSQWOAK-KBPBESRZSA-N 2 1 293.411 0.964 20 30 CCEDMP C#C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)C ZINC000289349258 388869005 /nfs/dbraw/zinc/86/90/05/388869005.db2.gz IXZCDOIZESQDDF-HNNXBMFYSA-N 2 1 287.411 0.976 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCc2ccccc2C1 ZINC000104167254 389079817 /nfs/dbraw/zinc/07/98/17/389079817.db2.gz GHOWMXAMBPALRP-CYBMUJFWSA-N 2 1 290.411 0.984 20 30 CCEDMP COC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCc2ccccc2C1 ZINC000104167254 389079819 /nfs/dbraw/zinc/07/98/19/389079819.db2.gz GHOWMXAMBPALRP-CYBMUJFWSA-N 2 1 290.411 0.984 20 30 CCEDMP C[NH+]=C(NCc1nccn1C)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261995951 389279673 /nfs/dbraw/zinc/27/96/73/389279673.db2.gz SITGTHYLYJYCSU-OLZOCXBDSA-N 2 1 292.431 0.814 20 30 CCEDMP CN1CC[NH+]=C1NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000262648836 389291724 /nfs/dbraw/zinc/29/17/24/389291724.db2.gz JXBKKAQSFLWVKU-UHFFFAOYSA-N 2 1 272.396 0.977 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NC[C@@H]1CCOC1 ZINC000262848485 389295720 /nfs/dbraw/zinc/29/57/20/389295720.db2.gz WGAOCQUPPWMZQP-LBPRGKRZSA-N 2 1 265.361 0.393 20 30 CCEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@@H]1CCC[N@H+]1C ZINC000262805867 389296025 /nfs/dbraw/zinc/29/60/25/389296025.db2.gz NLZGXLUPWVVIPB-ZDUSSCGKSA-N 2 1 292.431 0.796 20 30 CCEDMP C=CCN(C)CC[N@@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000411642782 389441027 /nfs/dbraw/zinc/44/10/27/389441027.db2.gz HIHSWOIFSUXGDW-UHFFFAOYSA-N 2 1 296.459 0.590 20 30 CCEDMP C=CCN(C)CC[N@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000411642782 389441029 /nfs/dbraw/zinc/44/10/29/389441029.db2.gz HIHSWOIFSUXGDW-UHFFFAOYSA-N 2 1 296.459 0.590 20 30 CCEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442791737 389863091 /nfs/dbraw/zinc/86/30/91/389863091.db2.gz MGKGDJQJDJCHEN-CHWSQXEVSA-N 2 1 264.373 0.432 20 30 CCEDMP C#CC(C)(C)[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000491702367 390116116 /nfs/dbraw/zinc/11/61/16/390116116.db2.gz GAWBTKUORFBEAG-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC(C)(C)[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000491702367 390116117 /nfs/dbraw/zinc/11/61/17/390116117.db2.gz GAWBTKUORFBEAG-UHFFFAOYSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CCC(=O)OCC)CC1 ZINC000579343800 390163154 /nfs/dbraw/zinc/16/31/54/390163154.db2.gz KAECUIQVICWWRS-CQSZACIVSA-N 2 1 284.400 0.931 20 30 CCEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000313013185 260234541 /nfs/dbraw/zinc/23/45/41/260234541.db2.gz OLHBNPPERNSQJZ-OAHLLOKOSA-N 2 1 278.400 0.776 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000313013185 260234542 /nfs/dbraw/zinc/23/45/42/260234542.db2.gz OLHBNPPERNSQJZ-OAHLLOKOSA-N 2 1 278.400 0.776 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000313013185 260234543 /nfs/dbraw/zinc/23/45/43/260234543.db2.gz OLHBNPPERNSQJZ-OAHLLOKOSA-N 2 1 278.400 0.776 20 30 CCEDMP C[NH+]=C(NCc1ccnn1C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158457767 261164856 /nfs/dbraw/zinc/16/48/56/261164856.db2.gz QPUZZVQCGXDNKL-JSGCOSHPSA-N 2 1 292.431 0.814 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1noc(C)n1 ZINC000262332781 328149011 /nfs/dbraw/zinc/14/90/11/328149011.db2.gz BHCMHHAMHGEJSG-SNVBAGLBSA-N 2 1 266.349 0.267 20 30 CCEDMP N#CCC[C@H](C#N)CNC[C@@H]1CCC[N@@H+]1CCCO ZINC000583381458 327335184 /nfs/dbraw/zinc/33/51/84/327335184.db2.gz LQTRODIVWYQPAW-KGLIPLIRSA-N 2 1 264.373 0.866 20 30 CCEDMP N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CCCN1CCCO ZINC000583381458 327335186 /nfs/dbraw/zinc/33/51/86/327335186.db2.gz LQTRODIVWYQPAW-KGLIPLIRSA-N 2 1 264.373 0.866 20 30 CCEDMP N#CCC[C@@H](C#N)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000582780382 329183815 /nfs/dbraw/zinc/18/38/15/329183815.db2.gz MPXKZRGYZHCJOJ-KBPBESRZSA-N 2 1 291.399 0.607 20 30 CCEDMP C[NH+]=C(NCC1CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261808380 329984895 /nfs/dbraw/zinc/98/48/95/329984895.db2.gz SJQCORXTNMOISN-AWEZNQCLSA-N 2 1 280.416 0.626 20 30 CCEDMP C[C@@H]1CN(C(=[NH2+])N[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000262420121 330008972 /nfs/dbraw/zinc/00/89/72/330008972.db2.gz AWLJGDBLORPVTC-MNOVXSKESA-N 2 1 263.345 0.233 20 30 CCEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262481662 330016644 /nfs/dbraw/zinc/01/66/44/330016644.db2.gz RRKIYUFHGBVVGN-QWHCGFSZSA-N 2 1 268.405 0.754 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262737439 330029070 /nfs/dbraw/zinc/02/90/70/330029070.db2.gz CUBIGYPWHGAOSL-TZMCWYRMSA-N 2 1 296.415 0.194 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262737439 330029072 /nfs/dbraw/zinc/02/90/72/330029072.db2.gz CUBIGYPWHGAOSL-TZMCWYRMSA-N 2 1 296.415 0.194 20 30 CCEDMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424139430 330279133 /nfs/dbraw/zinc/27/91/33/330279133.db2.gz VGVSTRXQLMJBPA-HZSPNIEDSA-N 2 1 296.415 0.623 20 30 CCEDMP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1C[C@H](C)O ZINC000424149228 330295822 /nfs/dbraw/zinc/29/58/22/330295822.db2.gz VYJRFEBHPIIWSV-MJBXVCDLSA-N 2 1 296.415 0.311 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000491326912 332191019 /nfs/dbraw/zinc/19/10/19/332191019.db2.gz RIBPUOLGIBTHLZ-ZIAGYGMSSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000491326912 332191021 /nfs/dbraw/zinc/19/10/21/332191021.db2.gz RIBPUOLGIBTHLZ-ZIAGYGMSSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000491326912 332191023 /nfs/dbraw/zinc/19/10/23/332191023.db2.gz RIBPUOLGIBTHLZ-ZIAGYGMSSA-N 2 1 292.427 0.866 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000491658340 332269255 /nfs/dbraw/zinc/26/92/55/332269255.db2.gz VZKYYOSCHBYXRW-CQSZACIVSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000491703727 332297462 /nfs/dbraw/zinc/29/74/62/332297462.db2.gz ZMFYIBMHHFHZLD-HNNXBMFYSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@H]1C(C)C ZINC000491703727 332297463 /nfs/dbraw/zinc/29/74/63/332297463.db2.gz ZMFYIBMHHFHZLD-HNNXBMFYSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@H]1C(C)C ZINC000491703727 332297465 /nfs/dbraw/zinc/29/74/65/332297465.db2.gz ZMFYIBMHHFHZLD-HNNXBMFYSA-N 2 1 294.443 0.923 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](COC)C1CCOCC1 ZINC000491777245 332342491 /nfs/dbraw/zinc/34/24/91/332342491.db2.gz ZJXRMSHUMLBCCC-HNNXBMFYSA-N 2 1 268.401 0.973 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](COC)C1CCOCC1 ZINC000491777245 332342492 /nfs/dbraw/zinc/34/24/92/332342492.db2.gz ZJXRMSHUMLBCCC-HNNXBMFYSA-N 2 1 268.401 0.973 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000491803364 332357364 /nfs/dbraw/zinc/35/73/64/332357364.db2.gz JDWYQRHHJWJRDF-KBPBESRZSA-N 2 1 280.416 0.568 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@](C)(O)C(F)(F)F ZINC000383009829 336101835 /nfs/dbraw/zinc/10/18/35/336101835.db2.gz JOQOQPPICYVALP-JTQLQIEISA-N 2 1 252.280 0.844 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@](C)(O)C(F)(F)F ZINC000383009829 336101836 /nfs/dbraw/zinc/10/18/36/336101836.db2.gz JOQOQPPICYVALP-JTQLQIEISA-N 2 1 252.280 0.844 20 30 CCEDMP C=CCC[C@H](O)C[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000127033704 517327696 /nfs/dbraw/zinc/32/76/96/517327696.db2.gz OLHJLRIXHDRYJV-HNNXBMFYSA-N 2 1 297.443 0.800 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000730104383 581646648 /nfs/dbraw/zinc/64/66/48/581646648.db2.gz QSFQNMGLBVGZTD-ZDUSSCGKSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000730104383 581646650 /nfs/dbraw/zinc/64/66/50/581646650.db2.gz QSFQNMGLBVGZTD-ZDUSSCGKSA-N 2 1 265.401 0.788 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000764608847 582058491 /nfs/dbraw/zinc/05/84/91/582058491.db2.gz QKBLUKLGCYDQRD-NEPJUHHUSA-N 2 1 251.374 0.846 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903178882 613078802 /nfs/dbraw/zinc/07/88/02/613078802.db2.gz ZRBVMJAHGLIDSI-ZIAGYGMSSA-N 2 1 252.358 0.479 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903178882 613078804 /nfs/dbraw/zinc/07/88/04/613078804.db2.gz ZRBVMJAHGLIDSI-ZIAGYGMSSA-N 2 1 252.358 0.479 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972734167 613090358 /nfs/dbraw/zinc/09/03/58/613090358.db2.gz WLTYHWCZYVVFOT-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000830345539 612964307 /nfs/dbraw/zinc/96/43/07/612964307.db2.gz HLKFULYZDIMXBN-UHFFFAOYSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969969917 612994301 /nfs/dbraw/zinc/99/43/01/612994301.db2.gz QFBITMBTUDGNES-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962574983 613043509 /nfs/dbraw/zinc/04/35/09/613043509.db2.gz HNZPNEXKYRTPPY-NHAGDIPZSA-N 2 1 272.352 0.261 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962574983 613043510 /nfs/dbraw/zinc/04/35/10/613043510.db2.gz HNZPNEXKYRTPPY-NHAGDIPZSA-N 2 1 272.352 0.261 20 30 CCEDMP C#CC[C@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000895490814 613058669 /nfs/dbraw/zinc/05/86/69/613058669.db2.gz SXXOYKLOFCAUDG-HUUCEWRRSA-N 2 1 266.385 0.604 20 30 CCEDMP C#CCC[C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000843101705 613064095 /nfs/dbraw/zinc/06/40/95/613064095.db2.gz PVVPORHOYPUKIL-IRXDYDNUSA-N 2 1 290.407 0.843 20 30 CCEDMP C#CCC[C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000843101705 613064097 /nfs/dbraw/zinc/06/40/97/613064097.db2.gz PVVPORHOYPUKIL-IRXDYDNUSA-N 2 1 290.407 0.843 20 30 CCEDMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](C)CC1 ZINC000886573705 613066709 /nfs/dbraw/zinc/06/67/09/613066709.db2.gz SVKPVAKKLARBHM-UHFFFAOYSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891921785 613073984 /nfs/dbraw/zinc/07/39/84/613073984.db2.gz VURUYPZVXWLILU-UONOGXRCSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000836315163 613076391 /nfs/dbraw/zinc/07/63/91/613076391.db2.gz BUFRTEFLDUELRY-OAHLLOKOSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000836315163 613076392 /nfs/dbraw/zinc/07/63/92/613076392.db2.gz BUFRTEFLDUELRY-OAHLLOKOSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000836315163 613076394 /nfs/dbraw/zinc/07/63/94/613076394.db2.gz BUFRTEFLDUELRY-OAHLLOKOSA-N 2 1 292.427 0.725 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000836487199 613076508 /nfs/dbraw/zinc/07/65/08/613076508.db2.gz AMDDWHINZFPREN-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000836487199 613076509 /nfs/dbraw/zinc/07/65/09/613076509.db2.gz AMDDWHINZFPREN-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000836487199 613076511 /nfs/dbraw/zinc/07/65/11/613076511.db2.gz AMDDWHINZFPREN-HUUCEWRRSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886616325 613078943 /nfs/dbraw/zinc/07/89/43/613078943.db2.gz ZVMIYZWMMZBJGF-QWHCGFSZSA-N 2 1 252.358 0.873 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886616325 613078945 /nfs/dbraw/zinc/07/89/45/613078945.db2.gz ZVMIYZWMMZBJGF-QWHCGFSZSA-N 2 1 252.358 0.873 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000971782444 613082495 /nfs/dbraw/zinc/08/24/95/613082495.db2.gz WBULKWSLNJJVCY-CHWSQXEVSA-N 2 1 251.374 0.493 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972236077 613089192 /nfs/dbraw/zinc/08/91/92/613089192.db2.gz VOFZBESWGDVKDJ-AWEZNQCLSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972734167 613090355 /nfs/dbraw/zinc/09/03/55/613090355.db2.gz WLTYHWCZYVVFOT-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972734167 613090356 /nfs/dbraw/zinc/09/03/56/613090356.db2.gz WLTYHWCZYVVFOT-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000925357419 613134895 /nfs/dbraw/zinc/13/48/95/613134895.db2.gz WUUCTYOCZMLXRK-GXTWGEPZSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000928648339 613136363 /nfs/dbraw/zinc/13/63/63/613136363.db2.gz LBNBESQRQUYIDU-GJZGRUSLSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000982148253 613142055 /nfs/dbraw/zinc/14/20/55/613142055.db2.gz APIFLUXLRZLWOC-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982148253 613142056 /nfs/dbraw/zinc/14/20/56/613142056.db2.gz APIFLUXLRZLWOC-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982148253 613142057 /nfs/dbraw/zinc/14/20/57/613142057.db2.gz APIFLUXLRZLWOC-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC000923561126 613165186 /nfs/dbraw/zinc/16/51/86/613165186.db2.gz RYRQXSAJVXVPSY-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC000923561126 613165187 /nfs/dbraw/zinc/16/51/87/613165187.db2.gz RYRQXSAJVXVPSY-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C(=C)CC[NH+](C)C)C1 ZINC000923555628 613181305 /nfs/dbraw/zinc/18/13/05/613181305.db2.gz TVHRLOLEIFKIGS-AWEZNQCLSA-N 2 1 263.385 0.708 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=C)CC[NH+](C)C)C1 ZINC000923555628 613181307 /nfs/dbraw/zinc/18/13/07/613181307.db2.gz TVHRLOLEIFKIGS-AWEZNQCLSA-N 2 1 263.385 0.708 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000848022973 613200921 /nfs/dbraw/zinc/20/09/21/613200921.db2.gz DKWGIQYCGCQACE-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000848022973 613200923 /nfs/dbraw/zinc/20/09/23/613200923.db2.gz DKWGIQYCGCQACE-CABCVRRESA-N 2 1 295.427 0.293 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC000905098614 613304683 /nfs/dbraw/zinc/30/46/83/613304683.db2.gz UJXQCYDKAVRQPN-AWEZNQCLSA-N 2 1 268.401 0.892 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC000978463915 613310550 /nfs/dbraw/zinc/31/05/50/613310550.db2.gz AGITZVNCZFZPAO-PHZGNYQRSA-N 2 1 294.358 0.875 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000968303987 613348673 /nfs/dbraw/zinc/34/86/73/613348673.db2.gz UFAMGLWCGSESIR-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000968303987 613348674 /nfs/dbraw/zinc/34/86/74/613348674.db2.gz UFAMGLWCGSESIR-OLZOCXBDSA-N 2 1 267.373 0.084 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000908345776 613364313 /nfs/dbraw/zinc/36/43/13/613364313.db2.gz DNCVTBZACAXGMT-CHWSQXEVSA-N 2 1 251.374 0.657 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000908541702 613364857 /nfs/dbraw/zinc/36/48/57/613364857.db2.gz VFLIOBBBYBLHQN-AWEZNQCLSA-N 2 1 283.416 0.457 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000900696181 613365009 /nfs/dbraw/zinc/36/50/09/613365009.db2.gz RJXUQYBCNLFESS-AWEZNQCLSA-N 2 1 282.432 0.246 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000900808023 613365553 /nfs/dbraw/zinc/36/55/53/613365553.db2.gz XXZPUJMNZPIZKA-ZIAGYGMSSA-N 2 1 282.432 0.245 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000841457094 613366272 /nfs/dbraw/zinc/36/62/72/613366272.db2.gz NSAKFFFUKNLSKC-OLZOCXBDSA-N 2 1 269.389 0.018 20 30 CCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969443183 613482790 /nfs/dbraw/zinc/48/27/90/613482790.db2.gz ZFLYMSGAHFFXDL-OCCSQVGLSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969443183 613482793 /nfs/dbraw/zinc/48/27/93/613482793.db2.gz ZFLYMSGAHFFXDL-OCCSQVGLSA-N 2 1 281.400 0.330 20 30 CCEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969971097 613537037 /nfs/dbraw/zinc/53/70/37/613537037.db2.gz WVVCLUTYPCYHMZ-DZGCQCFKSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959920541 613565231 /nfs/dbraw/zinc/56/52/31/613565231.db2.gz KMSBVHNTAISWSS-CAOSSQGBSA-N 2 1 289.423 0.951 20 30 CCEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000923374803 613590923 /nfs/dbraw/zinc/59/09/23/613590923.db2.gz CNVNPTGZCLPBIO-KGLIPLIRSA-N 2 1 279.388 0.701 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980397928 613631803 /nfs/dbraw/zinc/63/18/03/613631803.db2.gz SQSRQHIBQBTRBS-OLZOCXBDSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980397928 613631808 /nfs/dbraw/zinc/63/18/08/613631808.db2.gz SQSRQHIBQBTRBS-OLZOCXBDSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980397928 613631812 /nfs/dbraw/zinc/63/18/12/613631812.db2.gz SQSRQHIBQBTRBS-OLZOCXBDSA-N 2 1 251.374 0.657 20 30 CCEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000933732218 613778965 /nfs/dbraw/zinc/77/89/65/613778965.db2.gz NHBPOFZVPCHJCG-IPYPFGDCSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000933732218 613778967 /nfs/dbraw/zinc/77/89/67/613778967.db2.gz NHBPOFZVPCHJCG-IPYPFGDCSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000933732218 613778968 /nfs/dbraw/zinc/77/89/68/613778968.db2.gz NHBPOFZVPCHJCG-IPYPFGDCSA-N 2 1 263.385 0.657 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000933732218 613778970 /nfs/dbraw/zinc/77/89/70/613778970.db2.gz NHBPOFZVPCHJCG-IPYPFGDCSA-N 2 1 263.385 0.657 20 30 CCEDMP CCNC(NCCCC[N@H+]1CCC[C@H]1CO)=[NH+]CC ZINC000849214508 614420777 /nfs/dbraw/zinc/42/07/77/614420777.db2.gz IKXYPGKGNGVAHX-ZDUSSCGKSA-N 2 1 270.421 0.798 20 30 CCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913517508 614661532 /nfs/dbraw/zinc/66/15/32/614661532.db2.gz DLWREVVYPLRAQF-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP CC1(C)[C@H](O)CC[NH+]1CC#CC[N@@H+]1CC[C@H](O)C1(C)C ZINC000812868798 614855160 /nfs/dbraw/zinc/85/51/60/614855160.db2.gz NRDKTWDEQVYXJD-OKILXGFUSA-N 2 1 280.412 0.680 20 30 CCEDMP CC1(C)[C@H](O)CC[N@H+]1CC#CC[NH+]1CC[C@H](O)C1(C)C ZINC000812868798 614855162 /nfs/dbraw/zinc/85/51/62/614855162.db2.gz NRDKTWDEQVYXJD-OKILXGFUSA-N 2 1 280.412 0.680 20 30 CCEDMP CC1(C)[C@H](O)CC[N@@H+]1CC#CC[NH+]1CC[C@H](O)C1(C)C ZINC000812868798 614855164 /nfs/dbraw/zinc/85/51/64/614855164.db2.gz NRDKTWDEQVYXJD-OKILXGFUSA-N 2 1 280.412 0.680 20 30 CCEDMP CCCC[N@@H+](C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852863676 614949019 /nfs/dbraw/zinc/94/90/19/614949019.db2.gz QSAZNEURMQUQNF-UHFFFAOYSA-N 2 1 265.401 0.838 20 30 CCEDMP CCCCNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000104174541 614962380 /nfs/dbraw/zinc/96/23/80/614962380.db2.gz ZDAGMIXRMQTOSW-CYBMUJFWSA-N 2 1 269.437 0.574 20 30 CCEDMP CC[NH+]1CCN(CCCCNC2=[NH+]CCN2C)CC1 ZINC000848990003 615156988 /nfs/dbraw/zinc/15/69/88/615156988.db2.gz QVUVKWPQLGDQBN-UHFFFAOYSA-N 2 1 267.421 0.295 20 30 CCEDMP CC[N@H+]1CC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852859598 615204003 /nfs/dbraw/zinc/20/40/03/615204003.db2.gz XSYVQRKDVLODEV-AWEZNQCLSA-N 2 1 263.385 0.447 20 30 CCEDMP C[N@H+]1CCC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884197665 616189367 /nfs/dbraw/zinc/18/93/67/616189367.db2.gz ARRHKVMYFAQMEZ-DNCHLWJUSA-N 2 1 276.384 0.336 20 30 CCEDMP COCC[N@@H+](C)CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852860251 616951310 /nfs/dbraw/zinc/95/13/10/616951310.db2.gz OPVCSQJLXKSFFD-UHFFFAOYSA-N 2 1 281.400 0.074 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001020235785 625294173 /nfs/dbraw/zinc/29/41/73/625294173.db2.gz DNRKVCSKNNNQFC-KKUMJFAQSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]12 ZINC001026421297 625441838 /nfs/dbraw/zinc/44/18/38/625441838.db2.gz QYSYZMJHEBYGOC-QLFBSQMISA-N 2 1 286.379 0.651 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001020400510 624467237 /nfs/dbraw/zinc/46/72/37/624467237.db2.gz WTVNNBPIYMZQFO-JOCQHMNTSA-N 2 1 286.379 0.632 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001020925799 624625792 /nfs/dbraw/zinc/62/57/92/624625792.db2.gz YLPALVOVASWAST-AVGNSLFASA-N 2 1 251.374 0.751 20 30 CCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N(C)C[C@@H]1CCOC1 ZINC000261739564 624816315 /nfs/dbraw/zinc/81/63/15/624816315.db2.gz ZGAWGFFHRPDTEL-ZDUSSCGKSA-N 2 1 279.388 0.735 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001027493453 625915445 /nfs/dbraw/zinc/91/54/45/625915445.db2.gz GRQKTIXKHNGNJO-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001027493453 625915457 /nfs/dbraw/zinc/91/54/57/625915457.db2.gz GRQKTIXKHNGNJO-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP N#C[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000903987781 634703986 /nfs/dbraw/zinc/70/39/86/634703986.db2.gz IZLFAZOHHMWSHW-QWHCGFSZSA-N 2 1 264.373 0.419 20 30 CCEDMP N#C[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000903987781 634703989 /nfs/dbraw/zinc/70/39/89/634703989.db2.gz IZLFAZOHHMWSHW-QWHCGFSZSA-N 2 1 264.373 0.419 20 30 CCEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000178564056 631385055 /nfs/dbraw/zinc/38/50/55/631385055.db2.gz QZOLTLDPWBWNLP-LBPRGKRZSA-N 2 1 256.394 0.659 20 30 CCEDMP CC[C@](C)(O)CNC(N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261859602 631659210 /nfs/dbraw/zinc/65/92/10/631659210.db2.gz ZDJSHJBLKZDULX-KYOSRNDESA-N 2 1 282.432 0.795 20 30 CCEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CC[C@@]2(CCOC2)C1 ZINC000261997306 631747687 /nfs/dbraw/zinc/74/76/87/631747687.db2.gz SQLOWLJKCKKRBM-GXTWGEPZSA-N 2 1 268.405 0.624 20 30 CCEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000985652279 632610020 /nfs/dbraw/zinc/61/00/20/632610020.db2.gz DZBISNFKHILQAK-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001007626506 650086519 /nfs/dbraw/zinc/08/65/19/650086519.db2.gz YDWAMHNHUOWTLC-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001007626506 650086520 /nfs/dbraw/zinc/08/65/20/650086520.db2.gz YDWAMHNHUOWTLC-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001007626506 650086521 /nfs/dbraw/zinc/08/65/21/650086521.db2.gz YDWAMHNHUOWTLC-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007626506 650086522 /nfs/dbraw/zinc/08/65/22/650086522.db2.gz YDWAMHNHUOWTLC-QLFBSQMISA-N 2 1 293.411 0.309 20 30 CCEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)CC#N ZINC000930060011 638057942 /nfs/dbraw/zinc/05/79/42/638057942.db2.gz IVMKAFUDBQDVMP-YIYPIFLZSA-N 2 1 267.373 0.444 20 30 CCEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)CC#N ZINC000930060011 638057948 /nfs/dbraw/zinc/05/79/48/638057948.db2.gz IVMKAFUDBQDVMP-YIYPIFLZSA-N 2 1 267.373 0.444 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC000995925388 638804885 /nfs/dbraw/zinc/80/48/85/638804885.db2.gz RSINSEHLQPTUPY-KBPBESRZSA-N 2 1 295.402 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC000995925388 638804888 /nfs/dbraw/zinc/80/48/88/638804888.db2.gz RSINSEHLQPTUPY-KBPBESRZSA-N 2 1 295.402 0.880 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996301449 638814893 /nfs/dbraw/zinc/81/48/93/638814893.db2.gz SYCPLYHPMHGFAO-KGLIPLIRSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003626054 639580476 /nfs/dbraw/zinc/58/04/76/639580476.db2.gz KPXPNFUXOGPNRY-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015599683 650588561 /nfs/dbraw/zinc/58/85/61/650588561.db2.gz UHULZEBTRWUANH-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015599683 650588564 /nfs/dbraw/zinc/58/85/64/650588564.db2.gz UHULZEBTRWUANH-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015599683 650588566 /nfs/dbraw/zinc/58/85/66/650588566.db2.gz UHULZEBTRWUANH-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015599683 650588569 /nfs/dbraw/zinc/58/85/69/650588569.db2.gz UHULZEBTRWUANH-CABCVRRESA-N 2 1 295.427 0.862 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015607459 650590827 /nfs/dbraw/zinc/59/08/27/650590827.db2.gz KXSKWZKKPLCPFY-CABCVRRESA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015607459 650590828 /nfs/dbraw/zinc/59/08/28/650590828.db2.gz KXSKWZKKPLCPFY-CABCVRRESA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607459 650590829 /nfs/dbraw/zinc/59/08/29/650590829.db2.gz KXSKWZKKPLCPFY-CABCVRRESA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607459 650590831 /nfs/dbraw/zinc/59/08/31/650590831.db2.gz KXSKWZKKPLCPFY-CABCVRRESA-N 2 1 293.411 0.309 20 30 CCEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000801936848 640678753 /nfs/dbraw/zinc/67/87/53/640678753.db2.gz ZQTDQGSHXMSDJZ-BZUAXINKSA-N 2 1 294.443 0.873 20 30 CCEDMP C[C@H](C#N)OCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000801936848 640678757 /nfs/dbraw/zinc/67/87/57/640678757.db2.gz ZQTDQGSHXMSDJZ-BZUAXINKSA-N 2 1 294.443 0.873 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015998882 650672255 /nfs/dbraw/zinc/67/22/55/650672255.db2.gz RFGLFAXFQXJTJO-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015998882 650672258 /nfs/dbraw/zinc/67/22/58/650672258.db2.gz RFGLFAXFQXJTJO-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015998882 650672259 /nfs/dbraw/zinc/67/22/59/650672259.db2.gz RFGLFAXFQXJTJO-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C[C@H]1C[C@@H](N(C)C(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1C ZINC000852870435 644034479 /nfs/dbraw/zinc/03/44/79/644034479.db2.gz OGLGDLJMKZZDLJ-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852885014 644042488 /nfs/dbraw/zinc/04/24/88/644042488.db2.gz RLNGLYVGYKUJJU-ZFWWWQNUSA-N 2 1 277.412 0.788 20 30 CCEDMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876727104 646650931 /nfs/dbraw/zinc/65/09/31/646650931.db2.gz FCNOMBRWPPFEOI-CZUORRHYSA-N 2 1 298.390 0.813 20 30 CCEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000104172554 648204277 /nfs/dbraw/zinc/20/42/77/648204277.db2.gz CQEMSSBZEZGGJA-WDEREUQCSA-N 2 1 254.378 0.410 20 30 CCEDMP C#C[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000934518444 649178446 /nfs/dbraw/zinc/17/84/46/649178446.db2.gz IFWYCVIZRPICMC-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C#C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000934518444 649178453 /nfs/dbraw/zinc/17/84/53/649178453.db2.gz IFWYCVIZRPICMC-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000303381913 649817600 /nfs/dbraw/zinc/81/76/00/649817600.db2.gz SEHBOMQWEZSRBP-CQSZACIVSA-N 2 1 297.447 0.097 20 30 CCEDMP CN1CCC[N@H+](CCCNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000303381913 649817602 /nfs/dbraw/zinc/81/76/02/649817602.db2.gz SEHBOMQWEZSRBP-CQSZACIVSA-N 2 1 297.447 0.097 20 30 CCEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000303381913 649817603 /nfs/dbraw/zinc/81/76/03/649817603.db2.gz SEHBOMQWEZSRBP-CQSZACIVSA-N 2 1 297.447 0.097 20 30 CCEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000303895480 649826525 /nfs/dbraw/zinc/82/65/25/649826525.db2.gz TWFBFVDHDDZRAO-ZDUSSCGKSA-N 2 1 268.405 0.754 20 30 CCEDMP C[C@@H](CNC(=[NH2+])N1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000303907832 649826761 /nfs/dbraw/zinc/82/67/61/649826761.db2.gz XDAHANFDWDVCRW-STQMWFEESA-N 2 1 268.405 0.896 20 30 CCEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000303971842 649827188 /nfs/dbraw/zinc/82/71/88/649827188.db2.gz FEIBIBMANSEEED-NSHDSACASA-N 2 1 256.394 0.800 20 30 CCEDMP CC(C)CNC(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303972481 649827461 /nfs/dbraw/zinc/82/74/61/649827461.db2.gz FUACXNUTKDAGRJ-ZDUSSCGKSA-N 2 1 297.447 0.489 20 30 CCEDMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=[NH2+])N2CCCCC2)C1 ZINC000303972745 649827648 /nfs/dbraw/zinc/82/76/48/649827648.db2.gz GDUADQZYGOEMLV-ZDUSSCGKSA-N 2 1 295.431 0.374 20 30 CCEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])N2CCCCC2)CC1 ZINC000303980235 649828039 /nfs/dbraw/zinc/82/80/39/649828039.db2.gz NXUIUSTVBCAAMR-UHFFFAOYSA-N 2 1 281.448 0.815 20 30 CCEDMP CN1CCC[N@H+](CCCNC(=[NH2+])N2CCCCC2)CC1 ZINC000303980235 649828040 /nfs/dbraw/zinc/82/80/40/649828040.db2.gz NXUIUSTVBCAAMR-UHFFFAOYSA-N 2 1 281.448 0.815 20 30 CCEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])N2CCCCC2)CC1 ZINC000303980235 649828041 /nfs/dbraw/zinc/82/80/41/649828041.db2.gz NXUIUSTVBCAAMR-UHFFFAOYSA-N 2 1 281.448 0.815 20 30 CCEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001266549679 790912324 /nfs/dbraw/zinc/91/23/24/790912324.db2.gz BIYVZMMZCXYLHW-KBPBESRZSA-N 2 1 263.385 0.542 20 30 CCEDMP Cc1nc(C#N)cc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000721861127 805961949 /nfs/dbraw/zinc/96/19/49/805961949.db2.gz RXOUYJMGETZEAV-UHFFFAOYSA-N 2 1 260.345 0.492 20 30 CCEDMP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267033263 791466511 /nfs/dbraw/zinc/46/65/11/791466511.db2.gz SFSVEURDVWDFAR-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167627278 791654730 /nfs/dbraw/zinc/65/47/30/791654730.db2.gz NQNQISAFIRTOIR-AWEZNQCLSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCC[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267213376 791683018 /nfs/dbraw/zinc/68/30/18/791683018.db2.gz JWBXUZYGQTYGSK-AWEZNQCLSA-N 2 1 288.395 0.825 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267213376 791683025 /nfs/dbraw/zinc/68/30/25/791683025.db2.gz JWBXUZYGQTYGSK-AWEZNQCLSA-N 2 1 288.395 0.825 20 30 CCEDMP C#CC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001098572454 791688586 /nfs/dbraw/zinc/68/85/86/791688586.db2.gz IVQIAIANVUHGNJ-UHFFFAOYSA-N 2 1 295.427 0.245 20 30 CCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572454 791688590 /nfs/dbraw/zinc/68/85/90/791688590.db2.gz IVQIAIANVUHGNJ-UHFFFAOYSA-N 2 1 295.427 0.245 20 30 CCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572454 791688592 /nfs/dbraw/zinc/68/85/92/791688592.db2.gz IVQIAIANVUHGNJ-UHFFFAOYSA-N 2 1 295.427 0.245 20 30 CCEDMP N#Cc1ccccc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234982221 806326659 /nfs/dbraw/zinc/32/66/59/806326659.db2.gz NNZMTRAHKUJYKH-OAHLLOKOSA-N 2 1 256.353 0.696 20 30 CCEDMP N#Cc1c(F)cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1F ZINC001234985959 806329549 /nfs/dbraw/zinc/32/95/49/806329549.db2.gz HTXQAGMWPMLJNI-HNNXBMFYSA-N 2 1 292.333 0.974 20 30 CCEDMP CN(C)C(=O)C[NH+]1CC2(C1)CC[NH+](CCCC#N)CC2 ZINC001277943349 806420593 /nfs/dbraw/zinc/42/05/93/806420593.db2.gz UDIIRZHXQHSBTM-UHFFFAOYSA-N 2 1 278.400 0.776 20 30 CCEDMP N#CCOc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235991204 806524445 /nfs/dbraw/zinc/52/44/45/806524445.db2.gz DOOUUCQMWKNWES-MZBDJJRSSA-N 2 1 287.363 0.994 20 30 CCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001278106437 806676733 /nfs/dbraw/zinc/67/67/33/806676733.db2.gz ZEFOPEIBTFVLHV-HUUCEWRRSA-N 2 1 295.427 0.197 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2ncc[nH]2)C1 ZINC001149654373 800288753 /nfs/dbraw/zinc/28/87/53/800288753.db2.gz WDWFRAFVJOLSES-ZDUSSCGKSA-N 2 1 290.367 0.183 20 30 CCEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001150318849 800330452 /nfs/dbraw/zinc/33/04/52/800330452.db2.gz VDBIKUARNVVDDZ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001150318849 800330459 /nfs/dbraw/zinc/33/04/59/800330459.db2.gz VDBIKUARNVVDDZ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001150318849 800330464 /nfs/dbraw/zinc/33/04/64/800330464.db2.gz VDBIKUARNVVDDZ-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158506521 801660094 /nfs/dbraw/zinc/66/00/94/801660094.db2.gz KZFQQNZOEVWEQS-CABCVRRESA-N 2 1 295.427 0.912 20 30 CCEDMP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158505656 801660259 /nfs/dbraw/zinc/66/02/59/801660259.db2.gz FFLOPXXWNAMOJC-KBPBESRZSA-N 2 1 281.400 0.522 20 30 CCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537077 812828247 /nfs/dbraw/zinc/82/82/47/812828247.db2.gz GTYZYEWKZCSWJU-HUUCEWRRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537077 812828255 /nfs/dbraw/zinc/82/82/55/812828255.db2.gz GTYZYEWKZCSWJU-HUUCEWRRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537077 812828260 /nfs/dbraw/zinc/82/82/60/812828260.db2.gz GTYZYEWKZCSWJU-HUUCEWRRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cnc[nH]2)C12CCC2 ZINC001203444970 803028406 /nfs/dbraw/zinc/02/84/06/803028406.db2.gz WRWTYHSBVHVONJ-UONOGXRCSA-N 2 1 286.379 0.993 20 30 CCEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001204799123 803101442 /nfs/dbraw/zinc/10/14/42/803101442.db2.gz RTGIYFYCHPMLEY-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001276607290 803563181 /nfs/dbraw/zinc/56/31/81/803563181.db2.gz IKJNVVCJNQSESB-GFCCVEGCSA-N 2 1 253.390 0.951 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209625778 803618312 /nfs/dbraw/zinc/61/83/12/803618312.db2.gz GVIZXNQTWFHLHD-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211091225 803668650 /nfs/dbraw/zinc/66/86/50/803668650.db2.gz MUEIVTWFOZEWEZ-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213596761 803698017 /nfs/dbraw/zinc/69/80/17/803698017.db2.gz KEVKCQFCLSBZNR-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335701 803734899 /nfs/dbraw/zinc/73/48/99/803734899.db2.gz GJVQVYOCYLLEGW-KFWWJZLASA-N 2 1 295.427 0.720 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001276711841 803744235 /nfs/dbraw/zinc/74/42/35/803744235.db2.gz NZNJOSAYAMPVLR-OAHLLOKOSA-N 2 1 295.427 0.461 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218813993 804132205 /nfs/dbraw/zinc/13/22/05/804132205.db2.gz KGFOUTMEYJEUIQ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218813993 804132212 /nfs/dbraw/zinc/13/22/12/804132212.db2.gz KGFOUTMEYJEUIQ-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218919198 804157379 /nfs/dbraw/zinc/15/73/79/804157379.db2.gz PABWGPJUIANFFH-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218919198 804157385 /nfs/dbraw/zinc/15/73/85/804157385.db2.gz PABWGPJUIANFFH-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218919198 804157393 /nfs/dbraw/zinc/15/73/93/804157393.db2.gz PABWGPJUIANFFH-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218919287 804157739 /nfs/dbraw/zinc/15/77/39/804157739.db2.gz ROPNZJXIXURVNC-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218919287 804157746 /nfs/dbraw/zinc/15/77/46/804157746.db2.gz ROPNZJXIXURVNC-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218919287 804157752 /nfs/dbraw/zinc/15/77/52/804157752.db2.gz ROPNZJXIXURVNC-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798905 804426151 /nfs/dbraw/zinc/42/61/51/804426151.db2.gz XRCAKOHUDOZCGB-KGLIPLIRSA-N 2 1 295.427 0.598 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001221406784 804807499 /nfs/dbraw/zinc/80/74/99/804807499.db2.gz IKLIORMLIFHRGY-BZPMIXESSA-N 2 1 251.374 0.572 20 30 CCEDMP N#Cc1cc[nH]c1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222099364 804868689 /nfs/dbraw/zinc/86/86/89/804868689.db2.gz CHWGFJFIJFHGEO-UHFFFAOYSA-N 2 1 259.357 0.414 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222100098 804869650 /nfs/dbraw/zinc/86/96/50/804869650.db2.gz VGIOYPHBYYBPFO-UHFFFAOYSA-N 2 1 286.379 0.791 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222100098 804869656 /nfs/dbraw/zinc/86/96/56/804869656.db2.gz VGIOYPHBYYBPFO-UHFFFAOYSA-N 2 1 286.379 0.791 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246020938 807120228 /nfs/dbraw/zinc/12/02/28/807120228.db2.gz KJKOFPZYXNROLS-OLZOCXBDSA-N 2 1 258.337 0.150 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246020938 807120233 /nfs/dbraw/zinc/12/02/33/807120233.db2.gz KJKOFPZYXNROLS-OLZOCXBDSA-N 2 1 258.337 0.150 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001251634706 807690280 /nfs/dbraw/zinc/69/02/80/807690280.db2.gz IFAVMPJAFKDHEG-HZSPNIEDSA-N 2 1 278.400 0.191 20 30 CCEDMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC#CC[NH+](C)C ZINC001251708651 807696316 /nfs/dbraw/zinc/69/63/16/807696316.db2.gz VXPJVRAQCIFNCX-AWEZNQCLSA-N 2 1 280.416 0.535 20 30 CCEDMP C=C[C@](C)(O)C[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252549675 807906118 /nfs/dbraw/zinc/90/61/18/807906118.db2.gz GSTQDWQGUZYTBC-AWEZNQCLSA-N 2 1 272.389 0.740 20 30 CCEDMP C=CCC[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001252617789 807920442 /nfs/dbraw/zinc/92/04/42/807920442.db2.gz KVOFUYRAPASZNF-ZDUSSCGKSA-N 2 1 269.389 0.067 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@@H](O)C1 ZINC001083505377 815178640 /nfs/dbraw/zinc/17/86/40/815178640.db2.gz LNKQFVMAICPDBG-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@@H](O)C1 ZINC001083505377 815178642 /nfs/dbraw/zinc/17/86/42/815178642.db2.gz LNKQFVMAICPDBG-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083505377 815178644 /nfs/dbraw/zinc/17/86/44/815178644.db2.gz LNKQFVMAICPDBG-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083505377 815178645 /nfs/dbraw/zinc/17/86/45/815178645.db2.gz LNKQFVMAICPDBG-ILXRZTDVSA-N 2 1 295.427 0.598 20 30 CCEDMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001261460196 808984333 /nfs/dbraw/zinc/98/43/33/808984333.db2.gz VLFQVXPDFHQHEA-CHWSQXEVSA-N 2 1 266.389 0.856 20 30 CCEDMP CC#CCN1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001263812177 809575500 /nfs/dbraw/zinc/57/55/00/809575500.db2.gz IOKYGWXMELIXLK-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001264617174 809665309 /nfs/dbraw/zinc/66/53/09/809665309.db2.gz CWJNTNYTDACWTC-UONOGXRCSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001265549228 809802119 /nfs/dbraw/zinc/80/21/19/809802119.db2.gz CMNZDZZGPNWITP-OKILXGFUSA-N 2 1 292.383 0.631 20 30 CCEDMP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001265812884 809860301 /nfs/dbraw/zinc/86/03/01/809860301.db2.gz GHFQQKKRTULSJA-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CCC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001279307818 809974901 /nfs/dbraw/zinc/97/49/01/809974901.db2.gz PPDSQJWIHGEPDW-WLYUNCDWSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267307203 811127477 /nfs/dbraw/zinc/12/74/77/811127477.db2.gz NSIXJKHNBIMZNC-KGLIPLIRSA-N 2 1 265.401 0.788 20 30 CCEDMP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001267392013 811276799 /nfs/dbraw/zinc/27/67/99/811276799.db2.gz YWCVTAIJLXIPTL-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077280566 815471717 /nfs/dbraw/zinc/47/17/17/815471717.db2.gz DGDQZIPUTBUEHW-RBSFLKMASA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001077280566 815471722 /nfs/dbraw/zinc/47/17/22/815471722.db2.gz DGDQZIPUTBUEHW-RBSFLKMASA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077280566 815471728 /nfs/dbraw/zinc/47/17/28/815471728.db2.gz DGDQZIPUTBUEHW-RBSFLKMASA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280566 815471732 /nfs/dbraw/zinc/47/17/32/815471732.db2.gz DGDQZIPUTBUEHW-RBSFLKMASA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280566 815471736 /nfs/dbraw/zinc/47/17/36/815471736.db2.gz DGDQZIPUTBUEHW-RBSFLKMASA-N 2 1 295.427 0.454 20 30 CCEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001267820182 811815999 /nfs/dbraw/zinc/81/59/99/811815999.db2.gz OAHTYCNVOBIIHL-KBPBESRZSA-N 2 1 265.401 0.836 20 30 CCEDMP C#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267946416 811881221 /nfs/dbraw/zinc/88/12/21/811881221.db2.gz QQWUDAJHKJKTCO-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001267989916 811930025 /nfs/dbraw/zinc/93/00/25/811930025.db2.gz OWPMFWOBAFPEHU-AWEZNQCLSA-N 2 1 295.427 0.462 20 30 CCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267991095 811931208 /nfs/dbraw/zinc/93/12/08/811931208.db2.gz NJUAZMLFHFTJHU-GJZGRUSLSA-N 2 1 295.427 0.462 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268101315 812260481 /nfs/dbraw/zinc/26/04/81/812260481.db2.gz WMIQYRJBFHWMOH-QWHCGFSZSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001268321708 812485332 /nfs/dbraw/zinc/48/53/32/812485332.db2.gz UZJUVYABJOVCQD-ZIAGYGMSSA-N 2 1 283.416 0.361 20 30 CCEDMP C=CC[NH2+]CCN(CC)C(=O)Cn1c[nH+]cc1C ZINC001268465507 812610918 /nfs/dbraw/zinc/61/09/18/812610918.db2.gz FNSLNANEYAFSDD-UHFFFAOYSA-N 2 1 250.346 0.816 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028320336 812612923 /nfs/dbraw/zinc/61/29/23/812612923.db2.gz QEUZSEIRUSANCY-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028320336 812612926 /nfs/dbraw/zinc/61/29/26/812612926.db2.gz QEUZSEIRUSANCY-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028320336 812612931 /nfs/dbraw/zinc/61/29/31/812612931.db2.gz QEUZSEIRUSANCY-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001028330075 812624857 /nfs/dbraw/zinc/62/48/57/812624857.db2.gz XJIYUWYMAYTVLD-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001028330075 812624863 /nfs/dbraw/zinc/62/48/63/812624863.db2.gz XJIYUWYMAYTVLD-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028330075 812624869 /nfs/dbraw/zinc/62/48/69/812624869.db2.gz XJIYUWYMAYTVLD-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028330075 812624873 /nfs/dbraw/zinc/62/48/73/812624873.db2.gz XJIYUWYMAYTVLD-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC001075644774 812781059 /nfs/dbraw/zinc/78/10/59/812781059.db2.gz AIGBTYFFWUTDGU-MJBXVCDLSA-N 2 1 279.384 0.036 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001268978951 813168047 /nfs/dbraw/zinc/16/80/47/813168047.db2.gz QPNJOXCHHNIFGA-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001268978951 813168054 /nfs/dbraw/zinc/16/80/54/813168054.db2.gz QPNJOXCHHNIFGA-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001268978951 813168042 /nfs/dbraw/zinc/16/80/42/813168042.db2.gz QPNJOXCHHNIFGA-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001269148486 813240730 /nfs/dbraw/zinc/24/07/30/813240730.db2.gz DHCBZGNFODYYEK-ZIAGYGMSSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001269148486 813240732 /nfs/dbraw/zinc/24/07/32/813240732.db2.gz DHCBZGNFODYYEK-ZIAGYGMSSA-N 2 1 281.400 0.378 20 30 CCEDMP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001269383115 813350603 /nfs/dbraw/zinc/35/06/03/813350603.db2.gz GPODYSBMRPPDDQ-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001269383115 813350610 /nfs/dbraw/zinc/35/06/10/813350610.db2.gz GPODYSBMRPPDDQ-UONOGXRCSA-N 2 1 283.416 0.768 20 30 CCEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001269510644 813397588 /nfs/dbraw/zinc/39/75/88/813397588.db2.gz RXJQSWHUTBNQSD-QWHCGFSZSA-N 2 1 251.374 0.446 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001270150300 813653257 /nfs/dbraw/zinc/65/32/57/813653257.db2.gz HIBGGPFEEYBMDH-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC=C)C2)CC1 ZINC001029001673 813744646 /nfs/dbraw/zinc/74/46/46/813744646.db2.gz CBDBNTQSWOYYBN-HNNXBMFYSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001270595894 813830608 /nfs/dbraw/zinc/83/06/08/813830608.db2.gz QSFGPYHNADITDU-LBPRGKRZSA-N 2 1 262.357 0.557 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001270659285 813877101 /nfs/dbraw/zinc/87/71/01/813877101.db2.gz SDZAKDQNNLHEMV-CQSZACIVSA-N 2 1 251.374 0.849 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809100 814106230 /nfs/dbraw/zinc/10/62/30/814106230.db2.gz SPXZGLLIOJWCHY-QKPAOTATSA-N 2 1 289.423 0.883 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809100 814106235 /nfs/dbraw/zinc/10/62/35/814106235.db2.gz SPXZGLLIOJWCHY-QKPAOTATSA-N 2 1 289.423 0.883 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809100 814106244 /nfs/dbraw/zinc/10/62/44/814106244.db2.gz SPXZGLLIOJWCHY-QKPAOTATSA-N 2 1 289.423 0.883 20 30 CCEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001271108865 814155529 /nfs/dbraw/zinc/15/55/29/814155529.db2.gz FQTKTJQRUKXHFY-ZDUSSCGKSA-N 2 1 299.365 0.789 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796533 814215965 /nfs/dbraw/zinc/21/59/65/814215965.db2.gz DOWXIVCTFDTURZ-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087796533 814215973 /nfs/dbraw/zinc/21/59/73/814215973.db2.gz DOWXIVCTFDTURZ-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087796533 814215983 /nfs/dbraw/zinc/21/59/83/814215983.db2.gz DOWXIVCTFDTURZ-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001271160679 814253138 /nfs/dbraw/zinc/25/31/38/814253138.db2.gz XKUPSWJJDVBECD-DZGCQCFKSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271160679 814253144 /nfs/dbraw/zinc/25/31/44/814253144.db2.gz XKUPSWJJDVBECD-DZGCQCFKSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271160679 814253147 /nfs/dbraw/zinc/25/31/47/814253147.db2.gz XKUPSWJJDVBECD-DZGCQCFKSA-N 2 1 281.400 0.210 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994582 814305299 /nfs/dbraw/zinc/30/52/99/814305299.db2.gz RFAWLSWNZXGMSH-CABCVRRESA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994582 814305309 /nfs/dbraw/zinc/30/53/09/814305309.db2.gz RFAWLSWNZXGMSH-CABCVRRESA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994582 814305318 /nfs/dbraw/zinc/30/53/18/814305318.db2.gz RFAWLSWNZXGMSH-CABCVRRESA-N 2 1 289.423 0.884 20 30 CCEDMP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001271988540 814665665 /nfs/dbraw/zinc/66/56/65/814665665.db2.gz UYMKAWLLUCNYBD-ZBFHGGJFSA-N 2 1 295.427 0.293 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001271988540 814665667 /nfs/dbraw/zinc/66/56/67/814665667.db2.gz UYMKAWLLUCNYBD-ZBFHGGJFSA-N 2 1 295.427 0.293 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105979634 816034517 /nfs/dbraw/zinc/03/45/17/816034517.db2.gz XDRWDIJJSCBEBZ-MCIONIFRSA-N 2 1 281.400 0.187 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105979634 816034527 /nfs/dbraw/zinc/03/45/27/816034527.db2.gz XDRWDIJJSCBEBZ-MCIONIFRSA-N 2 1 281.400 0.187 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088858924 816086885 /nfs/dbraw/zinc/08/68/85/816086885.db2.gz BOGQCFXCKJTOCO-MJBXVCDLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088858924 816086893 /nfs/dbraw/zinc/08/68/93/816086893.db2.gz BOGQCFXCKJTOCO-MJBXVCDLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1C ZINC001088858924 816086898 /nfs/dbraw/zinc/08/68/98/816086898.db2.gz BOGQCFXCKJTOCO-MJBXVCDLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1C ZINC001088858924 816086902 /nfs/dbraw/zinc/08/69/02/816086902.db2.gz BOGQCFXCKJTOCO-MJBXVCDLSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088858923 816087747 /nfs/dbraw/zinc/08/77/47/816087747.db2.gz BOGQCFXCKJTOCO-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088858923 816087753 /nfs/dbraw/zinc/08/77/53/816087753.db2.gz BOGQCFXCKJTOCO-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1C ZINC001088858923 816087758 /nfs/dbraw/zinc/08/77/58/816087758.db2.gz BOGQCFXCKJTOCO-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1C ZINC001088858923 816087765 /nfs/dbraw/zinc/08/77/65/816087765.db2.gz BOGQCFXCKJTOCO-MCIONIFRSA-N 2 1 263.385 0.540 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088860068 816088856 /nfs/dbraw/zinc/08/88/56/816088856.db2.gz UVDSYCWTQFKSJQ-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1C ZINC001088860068 816088861 /nfs/dbraw/zinc/08/88/61/816088861.db2.gz UVDSYCWTQFKSJQ-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1C ZINC001088860068 816088863 /nfs/dbraw/zinc/08/88/63/816088863.db2.gz UVDSYCWTQFKSJQ-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001031684494 817242557 /nfs/dbraw/zinc/24/25/57/817242557.db2.gz PZZJQBKMYPCAEF-UONOGXRCSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001031684494 817242550 /nfs/dbraw/zinc/24/25/50/817242550.db2.gz PZZJQBKMYPCAEF-UONOGXRCSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC2)C1 ZINC001031740934 817305153 /nfs/dbraw/zinc/30/51/53/817305153.db2.gz OEULUYBANSFYEJ-INIZCTEOSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC2)C1 ZINC001031740934 817305159 /nfs/dbraw/zinc/30/51/59/817305159.db2.gz OEULUYBANSFYEJ-INIZCTEOSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981657 817568604 /nfs/dbraw/zinc/56/86/04/817568604.db2.gz YPDLHOOLUGLVGT-QLFBSQMISA-N 2 1 277.412 0.646 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106983269 817570146 /nfs/dbraw/zinc/57/01/46/817570146.db2.gz XXUAVSSNSQOCRD-MGPQQGTHSA-N 2 1 263.385 0.255 20 30 CCEDMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001273004584 818301642 /nfs/dbraw/zinc/30/16/42/818301642.db2.gz WONFNXMOQRZZIQ-OAHLLOKOSA-N 2 1 295.427 0.865 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395877 818753384 /nfs/dbraw/zinc/75/33/84/818753384.db2.gz LKMUNWMMNXAISV-HNNXBMFYSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033419057 818764340 /nfs/dbraw/zinc/76/43/40/818764340.db2.gz GNWRMPYIWVVNMY-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033419057 818764347 /nfs/dbraw/zinc/76/43/47/818764347.db2.gz GNWRMPYIWVVNMY-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033419057 818764352 /nfs/dbraw/zinc/76/43/52/818764352.db2.gz GNWRMPYIWVVNMY-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033583637 818845019 /nfs/dbraw/zinc/84/50/19/818845019.db2.gz WZWUJHAUJHHSFB-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033583637 818845026 /nfs/dbraw/zinc/84/50/26/818845026.db2.gz WZWUJHAUJHHSFB-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033583637 818845032 /nfs/dbraw/zinc/84/50/32/818845032.db2.gz WZWUJHAUJHHSFB-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001033686207 818886721 /nfs/dbraw/zinc/88/67/21/818886721.db2.gz BJXQRXSDLZUAJR-MRXNPFEDSA-N 2 1 287.407 0.498 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001033774945 818926935 /nfs/dbraw/zinc/92/69/35/818926935.db2.gz LDQPUBXUAGRUPV-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001033774945 818926941 /nfs/dbraw/zinc/92/69/41/818926941.db2.gz LDQPUBXUAGRUPV-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001033774945 818926948 /nfs/dbraw/zinc/92/69/48/818926948.db2.gz LDQPUBXUAGRUPV-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001033774945 818926952 /nfs/dbraw/zinc/92/69/52/818926952.db2.gz LDQPUBXUAGRUPV-KBPBESRZSA-N 2 1 263.385 0.637 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033875350 818971491 /nfs/dbraw/zinc/97/14/91/818971491.db2.gz RGWTYNYEYXTMIL-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033875350 818971495 /nfs/dbraw/zinc/97/14/95/818971495.db2.gz RGWTYNYEYXTMIL-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033875350 818971511 /nfs/dbraw/zinc/97/15/11/818971511.db2.gz RGWTYNYEYXTMIL-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033875350 818971519 /nfs/dbraw/zinc/97/15/19/818971519.db2.gz RGWTYNYEYXTMIL-QLFBSQMISA-N 2 1 295.427 0.814 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034040930 819042336 /nfs/dbraw/zinc/04/23/36/819042336.db2.gz ZVXZBOFZRXJNKI-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034040930 819042339 /nfs/dbraw/zinc/04/23/39/819042339.db2.gz ZVXZBOFZRXJNKI-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034040930 819042343 /nfs/dbraw/zinc/04/23/43/819042343.db2.gz ZVXZBOFZRXJNKI-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001034312035 819164524 /nfs/dbraw/zinc/16/45/24/819164524.db2.gz NBFSZWZJOKUMLY-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001034312035 819164530 /nfs/dbraw/zinc/16/45/30/819164530.db2.gz NBFSZWZJOKUMLY-AWEZNQCLSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC ZINC001034962383 819373398 /nfs/dbraw/zinc/37/33/98/819373398.db2.gz LSEBJSMYDMDRPU-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC ZINC001034962383 819373402 /nfs/dbraw/zinc/37/34/02/819373402.db2.gz LSEBJSMYDMDRPU-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001035312986 819462234 /nfs/dbraw/zinc/46/22/34/819462234.db2.gz LTHRQQDYFIMWHF-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001035312986 819462239 /nfs/dbraw/zinc/46/22/39/819462239.db2.gz LTHRQQDYFIMWHF-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035312986 819462242 /nfs/dbraw/zinc/46/22/42/819462242.db2.gz LTHRQQDYFIMWHF-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035312986 819462248 /nfs/dbraw/zinc/46/22/48/819462248.db2.gz LTHRQQDYFIMWHF-KBPBESRZSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001035312994 819462847 /nfs/dbraw/zinc/46/28/47/819462847.db2.gz LTHRQQDYFIMWHF-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001035312994 819462849 /nfs/dbraw/zinc/46/28/49/819462849.db2.gz LTHRQQDYFIMWHF-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035312994 819462854 /nfs/dbraw/zinc/46/28/54/819462854.db2.gz LTHRQQDYFIMWHF-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035312994 819462858 /nfs/dbraw/zinc/46/28/58/819462858.db2.gz LTHRQQDYFIMWHF-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001035312992 819463968 /nfs/dbraw/zinc/46/39/68/819463968.db2.gz LTHRQQDYFIMWHF-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001035312992 819463975 /nfs/dbraw/zinc/46/39/75/819463975.db2.gz LTHRQQDYFIMWHF-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035312992 819463977 /nfs/dbraw/zinc/46/39/77/819463977.db2.gz LTHRQQDYFIMWHF-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035312992 819463986 /nfs/dbraw/zinc/46/39/86/819463986.db2.gz LTHRQQDYFIMWHF-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001035403093 819508036 /nfs/dbraw/zinc/50/80/36/819508036.db2.gz UTCAZZHNDRRFME-CABCVRRESA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001035403093 819508041 /nfs/dbraw/zinc/50/80/41/819508041.db2.gz UTCAZZHNDRRFME-CABCVRRESA-N 2 1 293.411 0.309 20 30 CCEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001035613912 819588735 /nfs/dbraw/zinc/58/87/35/819588735.db2.gz MKGZOPLICOZHAI-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035613912 819588739 /nfs/dbraw/zinc/58/87/39/819588739.db2.gz MKGZOPLICOZHAI-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035613912 819588745 /nfs/dbraw/zinc/58/87/45/819588745.db2.gz MKGZOPLICOZHAI-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080446240 820577854 /nfs/dbraw/zinc/57/78/54/820577854.db2.gz FMORJTGCCINILE-BFHYXJOUSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001080446240 820577858 /nfs/dbraw/zinc/57/78/58/820577858.db2.gz FMORJTGCCINILE-BFHYXJOUSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001080446240 820577860 /nfs/dbraw/zinc/57/78/60/820577860.db2.gz FMORJTGCCINILE-BFHYXJOUSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001080446240 820577863 /nfs/dbraw/zinc/57/78/63/820577863.db2.gz FMORJTGCCINILE-BFHYXJOUSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001080470417 820579745 /nfs/dbraw/zinc/57/97/45/820579745.db2.gz SSTURZMADPOHFM-AAVRWANBSA-N 2 1 286.379 0.593 20 30 CCEDMP C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001080470417 820579749 /nfs/dbraw/zinc/57/97/49/820579749.db2.gz SSTURZMADPOHFM-AAVRWANBSA-N 2 1 286.379 0.593 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080782784 820631148 /nfs/dbraw/zinc/63/11/48/820631148.db2.gz BCLWAIILWHEVFH-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081448655 820778580 /nfs/dbraw/zinc/77/85/80/820778580.db2.gz NMHRBHAGBOHVJN-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081448655 820778590 /nfs/dbraw/zinc/77/85/90/820778590.db2.gz NMHRBHAGBOHVJN-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081448655 820778592 /nfs/dbraw/zinc/77/85/92/820778592.db2.gz NMHRBHAGBOHVJN-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081448655 820778600 /nfs/dbraw/zinc/77/86/00/820778600.db2.gz NMHRBHAGBOHVJN-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001081949636 820870513 /nfs/dbraw/zinc/87/05/13/820870513.db2.gz ZENBGAJQUNISOG-ZIAGYGMSSA-N 2 1 290.367 0.030 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001081949636 820870519 /nfs/dbraw/zinc/87/05/19/820870519.db2.gz ZENBGAJQUNISOG-ZIAGYGMSSA-N 2 1 290.367 0.030 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326478 820938175 /nfs/dbraw/zinc/93/81/75/820938175.db2.gz FKGIBAFCOMFZKR-RRFJBIMHSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326478 820938181 /nfs/dbraw/zinc/93/81/81/820938181.db2.gz FKGIBAFCOMFZKR-RRFJBIMHSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326478 820938189 /nfs/dbraw/zinc/93/81/89/820938189.db2.gz FKGIBAFCOMFZKR-RRFJBIMHSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326477 820939040 /nfs/dbraw/zinc/93/90/40/820939040.db2.gz FKGIBAFCOMFZKR-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326477 820939046 /nfs/dbraw/zinc/93/90/46/820939046.db2.gz FKGIBAFCOMFZKR-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326477 820939058 /nfs/dbraw/zinc/93/90/58/820939058.db2.gz FKGIBAFCOMFZKR-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082859848 821048266 /nfs/dbraw/zinc/04/82/66/821048266.db2.gz JFHWEJSSDYXTEZ-HZSPNIEDSA-N 2 1 265.401 0.951 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001082941822 821067440 /nfs/dbraw/zinc/06/74/40/821067440.db2.gz NXUSGWOBSKQIIT-KFWWJZLASA-N 2 1 277.412 0.931 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001086045496 822089372 /nfs/dbraw/zinc/08/93/72/822089372.db2.gz LCFOTCVWYIDDLZ-FRRDWIJNSA-N 2 1 251.374 0.751 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC=C)C1 ZINC001086110216 822116720 /nfs/dbraw/zinc/11/67/20/822116720.db2.gz YNKKCXPELMZMJH-ZNMIVQPWSA-N 2 1 275.396 0.754 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC=C)C1 ZINC001086110216 822116724 /nfs/dbraw/zinc/11/67/24/822116724.db2.gz YNKKCXPELMZMJH-ZNMIVQPWSA-N 2 1 275.396 0.754 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001086122555 822119897 /nfs/dbraw/zinc/11/98/97/822119897.db2.gz PMYIJTILSVUAFJ-MJBXVCDLSA-N 2 1 263.385 0.588 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCOCC1 ZINC001129770870 837558338 /nfs/dbraw/zinc/55/83/38/837558338.db2.gz MHOOQYASQPAIHF-HNNXBMFYSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCOCC1 ZINC001129770870 837558346 /nfs/dbraw/zinc/55/83/46/837558346.db2.gz MHOOQYASQPAIHF-HNNXBMFYSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](CC)OC ZINC001129771287 837559168 /nfs/dbraw/zinc/55/91/68/837559168.db2.gz UTKHCIHFNOAYGT-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](CC)OC ZINC001129771287 837559173 /nfs/dbraw/zinc/55/91/73/837559173.db2.gz UTKHCIHFNOAYGT-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130188812 837717700 /nfs/dbraw/zinc/71/77/00/837717700.db2.gz KILMJQUXIPJOSB-UONOGXRCSA-N 2 1 263.385 0.732 20 30 CCEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001108395197 836002235 /nfs/dbraw/zinc/00/22/35/836002235.db2.gz PVBRKVQUZHZVGB-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108395197 836002244 /nfs/dbraw/zinc/00/22/44/836002244.db2.gz PVBRKVQUZHZVGB-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108395197 836002254 /nfs/dbraw/zinc/00/22/54/836002254.db2.gz PVBRKVQUZHZVGB-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108395197 836002271 /nfs/dbraw/zinc/00/22/71/836002271.db2.gz PVBRKVQUZHZVGB-GOEBONIOSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001108421029 836057081 /nfs/dbraw/zinc/05/70/81/836057081.db2.gz FXBZBJDJAMTSLV-MRXNPFEDSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001108421029 836057094 /nfs/dbraw/zinc/05/70/94/836057094.db2.gz FXBZBJDJAMTSLV-MRXNPFEDSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108421029 836057107 /nfs/dbraw/zinc/05/71/07/836057107.db2.gz FXBZBJDJAMTSLV-MRXNPFEDSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108421029 836057120 /nfs/dbraw/zinc/05/71/20/836057120.db2.gz FXBZBJDJAMTSLV-MRXNPFEDSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169982706 836631482 /nfs/dbraw/zinc/63/14/82/836631482.db2.gz NQNNRJGDXFGEIH-ZIAGYGMSSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169982706 836631486 /nfs/dbraw/zinc/63/14/86/836631486.db2.gz NQNNRJGDXFGEIH-ZIAGYGMSSA-N 2 1 281.400 0.215 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130648688 837879450 /nfs/dbraw/zinc/87/94/50/837879450.db2.gz RPRKMZPZTOEABV-UHFFFAOYSA-N 2 1 266.345 0.632 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130710732 837898607 /nfs/dbraw/zinc/89/86/07/837898607.db2.gz CBYVYYRSDAZCHQ-CYBMUJFWSA-N 2 1 251.374 0.446 20 30 CCEDMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001131377544 838076225 /nfs/dbraw/zinc/07/62/25/838076225.db2.gz VYERPJHKPUGKGB-UHFFFAOYSA-N 2 1 297.362 0.969 20 30 CCEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681428 838172915 /nfs/dbraw/zinc/17/29/15/838172915.db2.gz BKVKALLXUJMBFA-ZBFHGGJFSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132353344 838365030 /nfs/dbraw/zinc/36/50/30/838365030.db2.gz FNAVUZFSGXAOLU-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132353344 838365039 /nfs/dbraw/zinc/36/50/39/838365039.db2.gz FNAVUZFSGXAOLU-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132353346 838365278 /nfs/dbraw/zinc/36/52/78/838365278.db2.gz FNAVUZFSGXAOLU-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132353346 838365283 /nfs/dbraw/zinc/36/52/83/838365283.db2.gz FNAVUZFSGXAOLU-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426043 838393216 /nfs/dbraw/zinc/39/32/16/838393216.db2.gz RDMYUQPIADBPMN-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133862606 838753455 /nfs/dbraw/zinc/75/34/55/838753455.db2.gz DPFKCMTWYSLTGK-QWHCGFSZSA-N 2 1 253.390 0.856 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135306806 839202757 /nfs/dbraw/zinc/20/27/57/839202757.db2.gz AORMTJISQMHEJZ-UHFFFAOYSA-N 2 1 292.383 0.327 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650898 844442293 /nfs/dbraw/zinc/44/22/93/844442293.db2.gz QGAHLMULEKVJQG-UONOGXRCSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090817222 839827275 /nfs/dbraw/zinc/82/72/75/839827275.db2.gz SBLLUMLJXUNAPF-UONOGXRCSA-N 2 1 281.400 0.210 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091543360 840261353 /nfs/dbraw/zinc/26/13/53/840261353.db2.gz IRPLFQCAHWNYQP-INMHGKMJSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543360 840261363 /nfs/dbraw/zinc/26/13/63/840261363.db2.gz IRPLFQCAHWNYQP-INMHGKMJSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543360 840261372 /nfs/dbraw/zinc/26/13/72/840261372.db2.gz IRPLFQCAHWNYQP-INMHGKMJSA-N 2 1 289.423 0.884 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565096 840314890 /nfs/dbraw/zinc/31/48/90/840314890.db2.gz DUDCMDPBEWNFNJ-FMKPAKJESA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565096 840314904 /nfs/dbraw/zinc/31/49/04/840314904.db2.gz DUDCMDPBEWNFNJ-FMKPAKJESA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565096 840314916 /nfs/dbraw/zinc/31/49/16/840314916.db2.gz DUDCMDPBEWNFNJ-FMKPAKJESA-N 2 1 293.411 0.283 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565096 840314931 /nfs/dbraw/zinc/31/49/31/840314931.db2.gz DUDCMDPBEWNFNJ-FMKPAKJESA-N 2 1 293.411 0.283 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523341 841032697 /nfs/dbraw/zinc/03/26/97/841032697.db2.gz GYLRHXQBOQWSNT-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523341 841032703 /nfs/dbraw/zinc/03/27/03/841032703.db2.gz GYLRHXQBOQWSNT-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523341 841032714 /nfs/dbraw/zinc/03/27/14/841032714.db2.gz GYLRHXQBOQWSNT-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523341 841032721 /nfs/dbraw/zinc/03/27/21/841032721.db2.gz GYLRHXQBOQWSNT-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093211772 841178050 /nfs/dbraw/zinc/17/80/50/841178050.db2.gz DFTUBHVDHUNQMR-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093211772 841178059 /nfs/dbraw/zinc/17/80/59/841178059.db2.gz DFTUBHVDHUNQMR-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093211772 841178068 /nfs/dbraw/zinc/17/80/68/841178068.db2.gz DFTUBHVDHUNQMR-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093211772 841178077 /nfs/dbraw/zinc/17/80/77/841178077.db2.gz DFTUBHVDHUNQMR-RBSFLKMASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179538644 843017973 /nfs/dbraw/zinc/01/79/73/843017973.db2.gz FDGSNOUKLXLXQS-KKUMJFAQSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001183268256 843997514 /nfs/dbraw/zinc/99/75/14/843997514.db2.gz QVLUGBMQFIZQOT-ZIAGYGMSSA-N 2 1 286.379 0.974 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001187321885 844691634 /nfs/dbraw/zinc/69/16/34/844691634.db2.gz GOSZSQGSBYPZFH-CQSZACIVSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCCC[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273541509 844731859 /nfs/dbraw/zinc/73/18/59/844731859.db2.gz CQLJJJCQBDQUIC-INIZCTEOSA-N 2 1 277.412 0.886 20 30 CCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055233 845028931 /nfs/dbraw/zinc/02/89/31/845028931.db2.gz QPRDXELPUDEJBJ-LSDHHAIUSA-N 2 1 293.411 0.121 20 30 CCEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516781 845153544 /nfs/dbraw/zinc/15/35/44/845153544.db2.gz LQRSHPPYWGGFAC-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516781 845153547 /nfs/dbraw/zinc/15/35/47/845153547.db2.gz LQRSHPPYWGGFAC-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189516781 845153549 /nfs/dbraw/zinc/15/35/49/845153549.db2.gz LQRSHPPYWGGFAC-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189516781 845153554 /nfs/dbraw/zinc/15/35/54/845153554.db2.gz LQRSHPPYWGGFAC-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189668903 845183833 /nfs/dbraw/zinc/18/38/33/845183833.db2.gz QONMVQUMPACNET-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189668903 845183845 /nfs/dbraw/zinc/18/38/45/845183845.db2.gz QONMVQUMPACNET-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189668903 845183851 /nfs/dbraw/zinc/18/38/51/845183851.db2.gz QONMVQUMPACNET-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170392 845796360 /nfs/dbraw/zinc/79/63/60/845796360.db2.gz KVHNGIIYQZAEQD-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192866710 845917616 /nfs/dbraw/zinc/91/76/16/845917616.db2.gz NPVIIMODFPXKDQ-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192866710 845917622 /nfs/dbraw/zinc/91/76/22/845917622.db2.gz NPVIIMODFPXKDQ-OAHLLOKOSA-N 2 1 293.411 0.265 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193892539 846176754 /nfs/dbraw/zinc/17/67/54/846176754.db2.gz RNQZLYSUBCERDA-RBSFLKMASA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193892539 846176757 /nfs/dbraw/zinc/17/67/57/846176757.db2.gz RNQZLYSUBCERDA-RBSFLKMASA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193892539 846176759 /nfs/dbraw/zinc/17/67/59/846176759.db2.gz RNQZLYSUBCERDA-RBSFLKMASA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193892539 846176762 /nfs/dbraw/zinc/17/67/62/846176762.db2.gz RNQZLYSUBCERDA-RBSFLKMASA-N 2 1 293.411 0.045 20 30 CCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194028356 846199659 /nfs/dbraw/zinc/19/96/59/846199659.db2.gz YPSJURSJIHZYAK-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194028356 846199662 /nfs/dbraw/zinc/19/96/62/846199662.db2.gz YPSJURSJIHZYAK-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708156 846606016 /nfs/dbraw/zinc/60/60/16/846606016.db2.gz GGKBRHRTPJIXBV-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197707949 846951301 /nfs/dbraw/zinc/95/13/01/846951301.db2.gz SMDBDBASYPJMIE-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197707949 846951318 /nfs/dbraw/zinc/95/13/18/846951318.db2.gz SMDBDBASYPJMIE-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)CC[NH+](C)CC)CC1 ZINC001197707949 846951323 /nfs/dbraw/zinc/95/13/23/846951323.db2.gz SMDBDBASYPJMIE-UHFFFAOYSA-N 2 1 265.401 0.886 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023436 847202304 /nfs/dbraw/zinc/20/23/04/847202304.db2.gz JSOICWNMJIUNDN-HUUCEWRRSA-N 2 1 293.411 0.047 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023436 847202318 /nfs/dbraw/zinc/20/23/18/847202318.db2.gz JSOICWNMJIUNDN-HUUCEWRRSA-N 2 1 293.411 0.047 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199095848 847222605 /nfs/dbraw/zinc/22/26/05/847222605.db2.gz LUVCDCMLFDKWQQ-ZIAGYGMSSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199095848 847222616 /nfs/dbraw/zinc/22/26/16/847222616.db2.gz LUVCDCMLFDKWQQ-ZIAGYGMSSA-N 2 1 283.416 0.454 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199095848 847222623 /nfs/dbraw/zinc/22/26/23/847222623.db2.gz LUVCDCMLFDKWQQ-ZIAGYGMSSA-N 2 1 283.416 0.454 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199788274 847432905 /nfs/dbraw/zinc/43/29/05/847432905.db2.gz NVVFRSHXYXZEQN-AWEZNQCLSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200635731 847668350 /nfs/dbraw/zinc/66/83/50/847668350.db2.gz CCZGGWSCPFQHPP-UKRRQHHQSA-N 2 1 277.412 0.931 20 30 CCEDMP C=C[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273882495 847727242 /nfs/dbraw/zinc/72/72/42/847727242.db2.gz ZPAZQUCLHDFHPM-GDBMZVCRSA-N 2 1 295.427 0.552 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056637 847851893 /nfs/dbraw/zinc/85/18/93/847851893.db2.gz AKIPUSSMNDRINB-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114414254 848053509 /nfs/dbraw/zinc/05/35/09/848053509.db2.gz PGIQWQNSUNZCTB-FOLVSLTJSA-N 2 1 275.396 0.540 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114414254 848053515 /nfs/dbraw/zinc/05/35/15/848053515.db2.gz PGIQWQNSUNZCTB-FOLVSLTJSA-N 2 1 275.396 0.540 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114414254 848053521 /nfs/dbraw/zinc/05/35/21/848053521.db2.gz PGIQWQNSUNZCTB-FOLVSLTJSA-N 2 1 275.396 0.540 20 30 CCEDMP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2CCCC#N)C1=O ZINC001274039556 848316168 /nfs/dbraw/zinc/31/61/68/848316168.db2.gz GJCOXOZFOFTCCF-HNNXBMFYSA-N 2 1 278.400 0.919 20 30 CCEDMP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001274289895 848441146 /nfs/dbraw/zinc/44/11/46/848441146.db2.gz YKLCWGRERCOHKW-XVWMLYKFSA-N 2 1 293.411 0.383 20 30 CCEDMP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001274500842 848490503 /nfs/dbraw/zinc/49/05/03/848490503.db2.gz BTYQESCLVWCJEQ-CYBMUJFWSA-N 2 1 281.400 0.210 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001274762631 848562996 /nfs/dbraw/zinc/56/29/96/848562996.db2.gz AWRIJEIMRLBKIH-UONOGXRCSA-N 2 1 281.400 0.215 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001274991989 848610742 /nfs/dbraw/zinc/61/07/42/848610742.db2.gz YTUCIPBAGNAVJV-CYBMUJFWSA-N 2 1 253.390 0.836 20 30 CCEDMP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001275157826 848653382 /nfs/dbraw/zinc/65/33/82/848653382.db2.gz WJDSKGYFMBSFFJ-RWMBFGLXSA-N 2 1 251.374 0.444 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001275285905 848685937 /nfs/dbraw/zinc/68/59/37/848685937.db2.gz IANCMMXBTQKLHD-JSGCOSHPSA-N 2 1 288.395 0.872 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001275459341 848726770 /nfs/dbraw/zinc/72/67/70/848726770.db2.gz OPLOCKGUBLFFOT-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001276012006 848890423 /nfs/dbraw/zinc/89/04/23/848890423.db2.gz NPEAWPOGJKOKNM-AWEZNQCLSA-N 2 1 283.416 0.413 20 30 CCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001276012006 848890427 /nfs/dbraw/zinc/89/04/27/848890427.db2.gz NPEAWPOGJKOKNM-AWEZNQCLSA-N 2 1 283.416 0.413 20 30 CCEDMP COCC#CC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001276012006 848890430 /nfs/dbraw/zinc/89/04/30/848890430.db2.gz NPEAWPOGJKOKNM-AWEZNQCLSA-N 2 1 283.416 0.413 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042157627 850584452 /nfs/dbraw/zinc/58/44/52/850584452.db2.gz SNJCWTPXQIQGHT-HUUCEWRRSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042157627 850584459 /nfs/dbraw/zinc/58/44/59/850584459.db2.gz SNJCWTPXQIQGHT-HUUCEWRRSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001046423670 851496143 /nfs/dbraw/zinc/49/61/43/851496143.db2.gz OMWMBFZQXZFLOC-BBRMVZONSA-N 2 1 286.379 0.659 20 30 CCEDMP C#CCN1CC[C@](C)(NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001046423670 851496151 /nfs/dbraw/zinc/49/61/51/851496151.db2.gz OMWMBFZQXZFLOC-BBRMVZONSA-N 2 1 286.379 0.659 20 30 CCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046856067 851632721 /nfs/dbraw/zinc/63/27/21/851632721.db2.gz ZGBUFPPNFXKKEY-ZBFHGGJFSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046856067 851632723 /nfs/dbraw/zinc/63/27/23/851632723.db2.gz ZGBUFPPNFXKKEY-ZBFHGGJFSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046856067 851632728 /nfs/dbraw/zinc/63/27/28/851632728.db2.gz ZGBUFPPNFXKKEY-ZBFHGGJFSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046856067 851632732 /nfs/dbraw/zinc/63/27/32/851632732.db2.gz ZGBUFPPNFXKKEY-ZBFHGGJFSA-N 2 1 293.411 0.311 20 30 CCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047384614 851744053 /nfs/dbraw/zinc/74/40/53/851744053.db2.gz CSQPRWJVAQCVSX-KBXIAJHMSA-N 2 1 295.427 0.406 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001096344324 851943871 /nfs/dbraw/zinc/94/38/71/851943871.db2.gz KBAUPXZBCQKICM-XGUBFFRZSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001096344324 851943874 /nfs/dbraw/zinc/94/38/74/851943874.db2.gz KBAUPXZBCQKICM-XGUBFFRZSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001096344324 851943888 /nfs/dbraw/zinc/94/38/88/851943888.db2.gz KBAUPXZBCQKICM-XGUBFFRZSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C[C@H]2C1 ZINC001048869420 852089788 /nfs/dbraw/zinc/08/97/88/852089788.db2.gz WTFVGJVWXGZAMD-XHSDSOJGSA-N 2 1 285.391 0.107 20 30 CCEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C[C@H]2C1 ZINC001048869420 852089796 /nfs/dbraw/zinc/08/97/96/852089796.db2.gz WTFVGJVWXGZAMD-XHSDSOJGSA-N 2 1 285.391 0.107 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC#C)C[C@@H]2C1 ZINC001048869420 852089810 /nfs/dbraw/zinc/08/98/10/852089810.db2.gz WTFVGJVWXGZAMD-XHSDSOJGSA-N 2 1 285.391 0.107 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC#C)C[C@@H]2C1 ZINC001048869420 852089825 /nfs/dbraw/zinc/08/98/25/852089825.db2.gz WTFVGJVWXGZAMD-XHSDSOJGSA-N 2 1 285.391 0.107 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049231869 852201235 /nfs/dbraw/zinc/20/12/35/852201235.db2.gz NJGLZGYJVXWLOZ-FPCVCCKLSA-N 2 1 289.423 0.883 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001054905970 853034736 /nfs/dbraw/zinc/03/47/36/853034736.db2.gz MHVBEOKBLWJQTB-AAEUAGOBSA-N 2 1 262.357 0.814 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050472514 853381571 /nfs/dbraw/zinc/38/15/71/853381571.db2.gz VHJVQKCLOMYRAD-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050472514 853381575 /nfs/dbraw/zinc/38/15/75/853381575.db2.gz VHJVQKCLOMYRAD-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC)C2 ZINC001072822659 854472381 /nfs/dbraw/zinc/47/23/81/854472381.db2.gz RYEARAPSMZGDAM-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC)C2 ZINC001072822659 854472386 /nfs/dbraw/zinc/47/23/86/854472386.db2.gz RYEARAPSMZGDAM-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC)C2 ZINC001072822659 854472388 /nfs/dbraw/zinc/47/23/88/854472388.db2.gz RYEARAPSMZGDAM-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC)C2 ZINC001072822659 854472392 /nfs/dbraw/zinc/47/23/92/854472392.db2.gz RYEARAPSMZGDAM-AWEZNQCLSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073431082 854557491 /nfs/dbraw/zinc/55/74/91/854557491.db2.gz REGPUHOTCJCGRK-UHFFFAOYSA-N 2 1 275.396 0.640 20 30 CCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073555287 854591921 /nfs/dbraw/zinc/59/19/21/854591921.db2.gz ZFQYZNZHBFUIGO-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073555287 854591926 /nfs/dbraw/zinc/59/19/26/854591926.db2.gz ZFQYZNZHBFUIGO-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073555287 854591929 /nfs/dbraw/zinc/59/19/29/854591929.db2.gz ZFQYZNZHBFUIGO-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073555289 854593622 /nfs/dbraw/zinc/59/36/22/854593622.db2.gz ZFQYZNZHBFUIGO-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073555289 854593627 /nfs/dbraw/zinc/59/36/27/854593627.db2.gz ZFQYZNZHBFUIGO-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073555289 854593633 /nfs/dbraw/zinc/59/36/33/854593633.db2.gz ZFQYZNZHBFUIGO-HUUCEWRRSA-N 2 1 293.411 0.311 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCc2ncc[nH]2)[C@@H](O)C1 ZINC001099804005 854999717 /nfs/dbraw/zinc/99/97/17/854999717.db2.gz GNQFRKDORZKBSJ-OLZOCXBDSA-N 2 1 292.383 0.470 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099898581 855024949 /nfs/dbraw/zinc/02/49/49/855024949.db2.gz DQYBJHDEEWQCRA-KBPBESRZSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898581 855024958 /nfs/dbraw/zinc/02/49/58/855024958.db2.gz DQYBJHDEEWQCRA-KBPBESRZSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099898581 855024964 /nfs/dbraw/zinc/02/49/64/855024964.db2.gz DQYBJHDEEWQCRA-KBPBESRZSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100041393 855079917 /nfs/dbraw/zinc/07/99/17/855079917.db2.gz IUZWFGXHKFICSD-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819497 855471650 /nfs/dbraw/zinc/47/16/50/855471650.db2.gz TYBUVMQHFCYYAJ-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819497 855471654 /nfs/dbraw/zinc/47/16/54/855471654.db2.gz TYBUVMQHFCYYAJ-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102819497 855471657 /nfs/dbraw/zinc/47/16/57/855471657.db2.gz TYBUVMQHFCYYAJ-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102819497 855471659 /nfs/dbraw/zinc/47/16/59/855471659.db2.gz TYBUVMQHFCYYAJ-KFWWJZLASA-N 2 1 295.427 0.577 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115300587 855659448 /nfs/dbraw/zinc/65/94/48/855659448.db2.gz VLQPRKGCPOVGAT-NHAGDIPZSA-N 2 1 263.385 0.396 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115300587 855659440 /nfs/dbraw/zinc/65/94/40/855659440.db2.gz VLQPRKGCPOVGAT-NHAGDIPZSA-N 2 1 263.385 0.396 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115300587 855659445 /nfs/dbraw/zinc/65/94/45/855659445.db2.gz VLQPRKGCPOVGAT-NHAGDIPZSA-N 2 1 263.385 0.396 20 30 CCEDMP COCC#CCN1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001323333458 912277191 /nfs/dbraw/zinc/27/71/91/912277191.db2.gz CRGNARHAVBLCTR-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001324994156 913138241 /nfs/dbraw/zinc/13/82/41/913138241.db2.gz YUUSDTVENGIITO-AWEZNQCLSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001325596096 913483287 /nfs/dbraw/zinc/48/32/87/913483287.db2.gz NMLKJFHXERAJEY-JSGCOSHPSA-N 2 1 274.368 0.509 20 30 CCEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001481070462 892129002 /nfs/dbraw/zinc/12/90/02/892129002.db2.gz IKUWGKKWANOZSD-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001481070462 892129009 /nfs/dbraw/zinc/12/90/09/892129009.db2.gz IKUWGKKWANOZSD-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001481070462 892129022 /nfs/dbraw/zinc/12/90/22/892129022.db2.gz IKUWGKKWANOZSD-HNNXBMFYSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001481096983 892162275 /nfs/dbraw/zinc/16/22/75/892162275.db2.gz WPYWSFFWZYPIAQ-KBPBESRZSA-N 2 1 283.391 0.738 20 30 CCEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001283797101 892420020 /nfs/dbraw/zinc/42/00/20/892420020.db2.gz LZHNYWIIUFKNDJ-HUUCEWRRSA-N 2 1 297.443 0.751 20 30 CCEDMP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001481810333 893176535 /nfs/dbraw/zinc/17/65/35/893176535.db2.gz FXCQXYKRESNASL-KGLIPLIRSA-N 2 1 265.401 0.977 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001482109203 893398497 /nfs/dbraw/zinc/39/84/97/893398497.db2.gz AWSJBSMJAGSCQV-KGLIPLIRSA-N 2 1 261.369 0.059 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001482109203 893398514 /nfs/dbraw/zinc/39/85/14/893398514.db2.gz AWSJBSMJAGSCQV-KGLIPLIRSA-N 2 1 261.369 0.059 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001482196374 893504439 /nfs/dbraw/zinc/50/44/39/893504439.db2.gz FTBXWKWYCLQYMR-CQSZACIVSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001482196374 893504455 /nfs/dbraw/zinc/50/44/55/893504455.db2.gz FTBXWKWYCLQYMR-CQSZACIVSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001482237012 893630936 /nfs/dbraw/zinc/63/09/36/893630936.db2.gz QGBVIOMNILRJJA-CYBMUJFWSA-N 2 1 263.385 0.590 20 30 CCEDMP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001483266395 895397996 /nfs/dbraw/zinc/39/79/96/895397996.db2.gz KPYKPDBDPPZSTH-AAEUAGOBSA-N 2 1 274.368 0.481 20 30 CCEDMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001483322957 895451237 /nfs/dbraw/zinc/45/12/37/895451237.db2.gz HBKHMZKQAOODCS-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001483322957 895451245 /nfs/dbraw/zinc/45/12/45/895451245.db2.gz HBKHMZKQAOODCS-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483322957 895451253 /nfs/dbraw/zinc/45/12/53/895451253.db2.gz HBKHMZKQAOODCS-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483322957 895451257 /nfs/dbraw/zinc/45/12/57/895451257.db2.gz HBKHMZKQAOODCS-STQMWFEESA-N 2 1 269.389 0.330 20 30 CCEDMP C#CC[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483400393 895539484 /nfs/dbraw/zinc/53/94/84/895539484.db2.gz HURFBDJHMOTVCM-CYBMUJFWSA-N 2 1 297.362 0.951 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483400393 895539488 /nfs/dbraw/zinc/53/94/88/895539488.db2.gz HURFBDJHMOTVCM-CYBMUJFWSA-N 2 1 297.362 0.951 20 30 CCEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001484445685 896415608 /nfs/dbraw/zinc/41/56/08/896415608.db2.gz ITOXPWHQMJLIJC-MRXNPFEDSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001484445685 896415612 /nfs/dbraw/zinc/41/56/12/896415612.db2.gz ITOXPWHQMJLIJC-MRXNPFEDSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001484445685 896415618 /nfs/dbraw/zinc/41/56/18/896415618.db2.gz ITOXPWHQMJLIJC-MRXNPFEDSA-N 2 1 295.427 0.295 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001032498531 897657588 /nfs/dbraw/zinc/65/75/88/897657588.db2.gz ZNBNTVBPXJTAHZ-GJZGRUSLSA-N 2 1 287.407 0.923 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001032498531 897657595 /nfs/dbraw/zinc/65/75/95/897657595.db2.gz ZNBNTVBPXJTAHZ-GJZGRUSLSA-N 2 1 287.407 0.923 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077893028 898000862 /nfs/dbraw/zinc/00/08/62/898000862.db2.gz WFHRQPFNNSSGEV-HUUCEWRRSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077893028 898000875 /nfs/dbraw/zinc/00/08/75/898000875.db2.gz WFHRQPFNNSSGEV-HUUCEWRRSA-N 2 1 295.427 0.456 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CC)CCO1 ZINC001108003972 898097324 /nfs/dbraw/zinc/09/73/24/898097324.db2.gz NEELUKUAGZNNOG-HOCLYGCPSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](CC)CCO1 ZINC001108003972 898097337 /nfs/dbraw/zinc/09/73/37/898097337.db2.gz NEELUKUAGZNNOG-HOCLYGCPSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001486149427 898688079 /nfs/dbraw/zinc/68/80/79/898688079.db2.gz WJDNHUXSWCDFRU-ZFWWWQNUSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001486337960 898805370 /nfs/dbraw/zinc/80/53/70/898805370.db2.gz PUCSIIGCSMFSPK-QLFBSQMISA-N 2 1 295.427 0.101 20 30 CCEDMP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001486337960 898805382 /nfs/dbraw/zinc/80/53/82/898805382.db2.gz PUCSIIGCSMFSPK-QLFBSQMISA-N 2 1 295.427 0.101 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001486337960 898805399 /nfs/dbraw/zinc/80/53/99/898805399.db2.gz PUCSIIGCSMFSPK-QLFBSQMISA-N 2 1 295.427 0.101 20 30 CCEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001488903485 900406869 /nfs/dbraw/zinc/40/68/69/900406869.db2.gz LCANQRDTKRMXQM-RRFJBIMHSA-N 2 1 295.427 0.768 20 30 CCEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001488903485 900406874 /nfs/dbraw/zinc/40/68/74/900406874.db2.gz LCANQRDTKRMXQM-RRFJBIMHSA-N 2 1 295.427 0.768 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001490458662 900644003 /nfs/dbraw/zinc/64/40/03/900644003.db2.gz PXDOXBIBMPPRLW-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001490458662 900644006 /nfs/dbraw/zinc/64/40/06/900644006.db2.gz PXDOXBIBMPPRLW-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001490458662 900644016 /nfs/dbraw/zinc/64/40/16/900644016.db2.gz PXDOXBIBMPPRLW-AWEZNQCLSA-N 2 1 265.401 0.931 20 30 CCEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001490692167 900705870 /nfs/dbraw/zinc/70/58/70/900705870.db2.gz AUYKTNHFBGIRBQ-LSDHHAIUSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001491073187 903338361 /nfs/dbraw/zinc/33/83/61/903338361.db2.gz FMNMYDCPYROEBG-BETUJISGSA-N 2 1 251.374 0.588 20 30 CCEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)Cn1ccnc1C ZINC001280882950 904164528 /nfs/dbraw/zinc/16/45/28/904164528.db2.gz ADYKJHTVVHFZRK-UHFFFAOYSA-N 2 1 276.384 0.995 20 30 CCEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001280882950 904164543 /nfs/dbraw/zinc/16/45/43/904164543.db2.gz ADYKJHTVVHFZRK-UHFFFAOYSA-N 2 1 276.384 0.995 20 30 CCEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001281185864 904240156 /nfs/dbraw/zinc/24/01/56/904240156.db2.gz YHOLJJDKQLMDLJ-MRXNPFEDSA-N 2 1 295.427 0.295 20 30 CCEDMP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001316612416 904313440 /nfs/dbraw/zinc/31/34/40/904313440.db2.gz HCEGDXSPQBOOOV-ZNMIVQPWSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001282002811 904385837 /nfs/dbraw/zinc/38/58/37/904385837.db2.gz QBFRUNKHWWYYIZ-NRXISQOPSA-N 2 1 277.412 0.977 20 30 CCEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001282493174 904492054 /nfs/dbraw/zinc/49/20/54/904492054.db2.gz BCRNAIMGMZCZAK-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001282493174 904492058 /nfs/dbraw/zinc/49/20/58/904492058.db2.gz BCRNAIMGMZCZAK-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001282493174 904492062 /nfs/dbraw/zinc/49/20/62/904492062.db2.gz BCRNAIMGMZCZAK-QWHCGFSZSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283715649 904972920 /nfs/dbraw/zinc/97/29/20/904972920.db2.gz VCGUZIWSSHZKET-KGLIPLIRSA-N 2 1 283.416 0.577 20 30 CCEDMP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001283755488 904993501 /nfs/dbraw/zinc/99/35/01/904993501.db2.gz IJLGRPKCELBHLH-OLZOCXBDSA-N 2 1 269.389 0.112 20 30 CCEDMP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001283755902 904998460 /nfs/dbraw/zinc/99/84/60/904998460.db2.gz KOYCMUFGQYLFAS-GJZGRUSLSA-N 2 1 297.443 0.892 20 30 CCEDMP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001284417167 905283067 /nfs/dbraw/zinc/28/30/67/905283067.db2.gz MKPUCCIFRJAXIC-CABCVRRESA-N 2 1 295.427 0.291 20 30 CCEDMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001316638248 905583157 /nfs/dbraw/zinc/58/31/57/905583157.db2.gz PHKIPDDIEZKDHT-SHTZXODSSA-N 2 1 293.411 0.216 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001491812848 907615121 /nfs/dbraw/zinc/61/51/21/907615121.db2.gz UNZNSJWWWGJCGW-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC001341642993 908642699 /nfs/dbraw/zinc/64/26/99/908642699.db2.gz LGJMZUZLLHXZFP-JHJVBQTASA-N 2 1 264.373 0.335 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC1)C1CC1 ZINC001317015506 908716228 /nfs/dbraw/zinc/71/62/28/908716228.db2.gz GLNFPKDCCRIMJH-HOTGVXAUSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC1)C1CC1 ZINC001317015506 908716238 /nfs/dbraw/zinc/71/62/38/908716238.db2.gz GLNFPKDCCRIMJH-HOTGVXAUSA-N 2 1 289.423 0.978 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001317167783 909021498 /nfs/dbraw/zinc/02/14/98/909021498.db2.gz RQVRLTJNDQJJCJ-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001317167783 909021516 /nfs/dbraw/zinc/02/15/16/909021516.db2.gz RQVRLTJNDQJJCJ-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001317307319 909130387 /nfs/dbraw/zinc/13/03/87/909130387.db2.gz SKGQFBMEWZCHNZ-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001317359746 909156507 /nfs/dbraw/zinc/15/65/07/909156507.db2.gz OVLFANNTJBJQRU-GJZGRUSLSA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001317397497 909177051 /nfs/dbraw/zinc/17/70/51/909177051.db2.gz WSOCUUULYQQGKW-KBPBESRZSA-N 2 1 261.369 0.202 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001317397497 909177056 /nfs/dbraw/zinc/17/70/56/909177056.db2.gz WSOCUUULYQQGKW-KBPBESRZSA-N 2 1 261.369 0.202 20 30 CCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317534323 909302347 /nfs/dbraw/zinc/30/23/47/909302347.db2.gz JTXAHUWKLBBIDX-LSDHHAIUSA-N 2 1 293.411 0.026 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317534323 909302363 /nfs/dbraw/zinc/30/23/63/909302363.db2.gz JTXAHUWKLBBIDX-LSDHHAIUSA-N 2 1 293.411 0.026 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317534323 909302380 /nfs/dbraw/zinc/30/23/80/909302380.db2.gz JTXAHUWKLBBIDX-LSDHHAIUSA-N 2 1 293.411 0.026 20 30 CCEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317534321 909307106 /nfs/dbraw/zinc/30/71/06/909307106.db2.gz JTXAHUWKLBBIDX-GJZGRUSLSA-N 2 1 293.411 0.026 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317534321 909307119 /nfs/dbraw/zinc/30/71/19/909307119.db2.gz JTXAHUWKLBBIDX-GJZGRUSLSA-N 2 1 293.411 0.026 20 30 CCEDMP COCC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317534321 909307134 /nfs/dbraw/zinc/30/71/34/909307134.db2.gz JTXAHUWKLBBIDX-GJZGRUSLSA-N 2 1 293.411 0.026 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001319224484 910044257 /nfs/dbraw/zinc/04/42/57/910044257.db2.gz HXKSLXKBOPPGHL-CHWSQXEVSA-N 2 1 251.374 0.446 20 30 CCEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001320262918 910564591 /nfs/dbraw/zinc/56/45/91/910564591.db2.gz KCNDTOHEENQLGY-IHRRRGAJSA-N 2 1 283.416 0.360 20 30 CCEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001329459289 915933776 /nfs/dbraw/zinc/93/37/76/915933776.db2.gz ICTJFTKERFFNCU-CYBMUJFWSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001329459289 915933784 /nfs/dbraw/zinc/93/37/84/915933784.db2.gz ICTJFTKERFFNCU-CYBMUJFWSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001329459289 915933797 /nfs/dbraw/zinc/93/37/97/915933797.db2.gz ICTJFTKERFFNCU-CYBMUJFWSA-N 2 1 265.401 0.931 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001329533725 915994723 /nfs/dbraw/zinc/99/47/23/915994723.db2.gz ZGLIKLGGLACQDE-ZDUSSCGKSA-N 2 1 269.389 0.024 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001329543207 915996624 /nfs/dbraw/zinc/99/66/24/915996624.db2.gz WKWCHOGZFBHKCC-HUUCEWRRSA-N 2 1 297.443 0.659 20 30 CCEDMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCC[N@H+]1C ZINC001329888104 916257272 /nfs/dbraw/zinc/25/72/72/916257272.db2.gz RWRVCDQYLXBDTC-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC001331850688 917660414 /nfs/dbraw/zinc/66/04/14/917660414.db2.gz OXKAZWNADTUZFF-CQSZACIVSA-N 2 1 292.383 0.853 20 30 CCEDMP C=CCO[C@@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001332013334 917802132 /nfs/dbraw/zinc/80/21/32/917802132.db2.gz PDLHBMXLICAVQX-UKRRQHHQSA-N 2 1 291.399 0.980 20 30 CCEDMP C=CCO[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001332013334 917802144 /nfs/dbraw/zinc/80/21/44/917802144.db2.gz PDLHBMXLICAVQX-UKRRQHHQSA-N 2 1 291.399 0.980 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@H](C)COC ZINC001492971059 919959704 /nfs/dbraw/zinc/95/97/04/919959704.db2.gz ATHCRUZYEWHYSF-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@H](C)COC ZINC001492971059 919959714 /nfs/dbraw/zinc/95/97/14/919959714.db2.gz ATHCRUZYEWHYSF-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)COC ZINC001492971059 919959721 /nfs/dbraw/zinc/95/97/21/919959721.db2.gz ATHCRUZYEWHYSF-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)COC ZINC001492971059 919959736 /nfs/dbraw/zinc/95/97/36/919959736.db2.gz ATHCRUZYEWHYSF-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCNC(=O)CC[NH2+]CCn1cc[nH+]c1C(C)C ZINC001335315012 920116864 /nfs/dbraw/zinc/11/68/64/920116864.db2.gz SFUCKLUJEQPMNH-UHFFFAOYSA-N 2 1 262.357 0.736 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001336893862 921088226 /nfs/dbraw/zinc/08/82/26/921088226.db2.gz KXMAMCVHYNLGDK-UHFFFAOYSA-N 2 1 292.427 0.773 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC001340852745 922243375 /nfs/dbraw/zinc/24/33/75/922243375.db2.gz ISVIIALEXGQWMM-STQMWFEESA-N 2 1 269.389 0.507 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001420177428 923371713 /nfs/dbraw/zinc/37/17/13/923371713.db2.gz XDOYHQLSTLAFMA-PWSUYJOCSA-N 2 1 289.807 0.147 20 30 CCEDMP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1C[N@@H+](C)CCN1C ZINC001346229654 924121995 /nfs/dbraw/zinc/12/19/95/924121995.db2.gz VPJQHWIGFDVNNK-MJBXVCDLSA-N 2 1 295.431 0.148 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C1 ZINC001349850416 925077305 /nfs/dbraw/zinc/07/73/05/925077305.db2.gz YOFMWZCWBAWJCS-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)C1 ZINC001349850416 925077320 /nfs/dbraw/zinc/07/73/20/925077320.db2.gz YOFMWZCWBAWJCS-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC001349850416 925077330 /nfs/dbraw/zinc/07/73/30/925077330.db2.gz YOFMWZCWBAWJCS-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC001349850416 925077341 /nfs/dbraw/zinc/07/73/41/925077341.db2.gz YOFMWZCWBAWJCS-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[NH2+]CC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC001357415011 926527818 /nfs/dbraw/zinc/52/78/18/926527818.db2.gz VEFURFCKIFYBNL-UHFFFAOYSA-N 2 1 289.383 0.620 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001444268121 929822317 /nfs/dbraw/zinc/82/23/17/929822317.db2.gz PZDZYIFQGIOFMQ-CYBMUJFWSA-N 2 1 253.390 0.904 20 30 CCEDMP CN(CCC#N)C(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000036192071 348160814 /nfs/dbraw/zinc/16/08/14/348160814.db2.gz ASSFPRKXVNQUBP-UHFFFAOYSA-N 2 1 266.389 0.775 20 30 CCEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000611266462 363699647 /nfs/dbraw/zinc/69/96/47/363699647.db2.gz YJKNOMPHPAODRW-GJZGRUSLSA-N 2 1 267.417 0.635 20 30 CCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594439606 360308623 /nfs/dbraw/zinc/30/86/23/360308623.db2.gz SOMUWASYTYZAIZ-MRVWCRGKSA-N 2 1 278.400 0.997 20 30 CCEDMP CC[C@@H](C)NC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000303392396 389081250 /nfs/dbraw/zinc/08/12/50/389081250.db2.gz ZFSQAZIIPOIIGI-GFCCVEGCSA-N 2 1 255.410 0.327 20 30 CCEDMP C[NH+]=C(NCc1c[nH]nc1C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261980039 389279885 /nfs/dbraw/zinc/27/98/85/389279885.db2.gz OQUWSLYFWOEKGF-YGRLFVJLSA-N 2 1 290.415 0.866 20 30 CCEDMP C[NH+]=C(NCCC[N@H+](C)CCOC)NCc1ccco1 ZINC000264049337 389304174 /nfs/dbraw/zinc/30/41/74/389304174.db2.gz LRXVDSOJBBNGSA-UHFFFAOYSA-N 2 1 282.388 0.913 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163262720 389427613 /nfs/dbraw/zinc/42/76/13/389427613.db2.gz CKQUGMMRQMKLSI-CHWSQXEVSA-N 2 1 251.374 0.856 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163262720 389427615 /nfs/dbraw/zinc/42/76/15/389427615.db2.gz CKQUGMMRQMKLSI-CHWSQXEVSA-N 2 1 251.374 0.856 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430569464 389808235 /nfs/dbraw/zinc/80/82/35/389808235.db2.gz IVMQAHNJFABBAF-SDDRHHMPSA-N 2 1 282.388 0.446 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430569464 389808238 /nfs/dbraw/zinc/80/82/38/389808238.db2.gz IVMQAHNJFABBAF-SDDRHHMPSA-N 2 1 282.388 0.446 20 30 CCEDMP C[C@H](CCC#N)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000565043794 390498934 /nfs/dbraw/zinc/49/89/34/390498934.db2.gz IKYGKSOCSQKEJA-CQSZACIVSA-N 2 1 281.400 0.838 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000520814277 390589266 /nfs/dbraw/zinc/58/92/66/390589266.db2.gz MXZQLQDRQWHIBZ-KGLIPLIRSA-N 2 1 293.411 0.461 20 30 CCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345417 412033681 /nfs/dbraw/zinc/03/36/81/412033681.db2.gz BHYAFSVFLPRRHF-MELADBBJSA-N 2 1 281.400 0.507 20 30 CCEDMP C=CC[C@@]1(C(=O)NCc2c[nH+]c(N(C)C)n2C)CCC[NH2+]1 ZINC000662728674 414747019 /nfs/dbraw/zinc/74/70/19/414747019.db2.gz ARAFOBCBDWYDPV-HNNXBMFYSA-N 2 1 291.399 0.801 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000491784138 262045966 /nfs/dbraw/zinc/04/59/66/262045966.db2.gz QHAXSLTVNFKKNA-QWHCGFSZSA-N 2 1 266.389 0.320 20 30 CCEDMP NC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267467577 262932486 /nfs/dbraw/zinc/93/24/86/262932486.db2.gz WVIRMEWAJABBMQ-CYBMUJFWSA-N 2 1 289.383 0.157 20 30 CCEDMP CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000284931903 263088486 /nfs/dbraw/zinc/08/84/86/263088486.db2.gz COTXNZGIHZNLSQ-CMPLNLGQSA-N 2 1 264.377 0.337 20 30 CCEDMP C[C@@H]1C[NH+](CC#CC[N@H+]2CC[C@H](O)[C@@H](C)C2)CC[C@H]1O ZINC000342119821 263389714 /nfs/dbraw/zinc/38/97/14/263389714.db2.gz CZCLYBUTMYOSGQ-GEEKYZPCSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1C[N@H+](CC#CC[NH+]2CC[C@H](O)[C@@H](C)C2)CC[C@H]1O ZINC000342119821 263389717 /nfs/dbraw/zinc/38/97/17/263389717.db2.gz CZCLYBUTMYOSGQ-GEEKYZPCSA-N 2 1 280.412 0.395 20 30 CCEDMP C[C@@H]1C[N@@H+](CC#CC[NH+]2CC[C@H](O)[C@@H](C)C2)CC[C@H]1O ZINC000342119821 263389719 /nfs/dbraw/zinc/38/97/19/263389719.db2.gz CZCLYBUTMYOSGQ-GEEKYZPCSA-N 2 1 280.412 0.395 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@H+](C)CCOC)CC1 ZINC000171732457 329079416 /nfs/dbraw/zinc/07/94/16/329079416.db2.gz XLOHOOYWDTYRJB-UHFFFAOYSA-N 2 1 298.431 0.514 20 30 CCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])NC(C)C)C1 ZINC000262188180 330001532 /nfs/dbraw/zinc/00/15/32/330001532.db2.gz CAQRDJUYLVLBEV-GFCCVEGCSA-N 2 1 256.394 0.656 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)CCOC1 ZINC000262544953 330020560 /nfs/dbraw/zinc/02/05/60/330020560.db2.gz UTRIGDVZMWJGNX-TZMCWYRMSA-N 2 1 268.405 0.802 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)CCCO1 ZINC000262790251 330031554 /nfs/dbraw/zinc/03/15/54/330031554.db2.gz NYEDZASSGMUXPK-TZMCWYRMSA-N 2 1 268.405 0.944 20 30 CCEDMP C[N@H+]1CCN(CCNC(=[NH2+])N2CCSCC2)CC1(C)C ZINC000262815966 330033833 /nfs/dbraw/zinc/03/38/33/330033833.db2.gz WOUOULGUUSYBDX-UHFFFAOYSA-N 2 1 299.488 0.376 20 30 CCEDMP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424167832 330309876 /nfs/dbraw/zinc/30/98/76/330309876.db2.gz FBHWJAHXSBBTIG-HZSPNIEDSA-N 2 1 296.415 0.575 20 30 CCEDMP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424167832 330309877 /nfs/dbraw/zinc/30/98/77/330309877.db2.gz FBHWJAHXSBBTIG-HZSPNIEDSA-N 2 1 296.415 0.575 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC)CC1 ZINC000490655796 332100415 /nfs/dbraw/zinc/10/04/15/332100415.db2.gz CHHBZKFPXLATQK-UHFFFAOYSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000491067064 332144425 /nfs/dbraw/zinc/14/44/25/332144425.db2.gz GFNWNPXGVIHOBQ-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000491164712 332159104 /nfs/dbraw/zinc/15/91/04/332159104.db2.gz DVULORNRSYFMDK-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000491164712 332159105 /nfs/dbraw/zinc/15/91/05/332159105.db2.gz DVULORNRSYFMDK-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCNC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000491164712 332159107 /nfs/dbraw/zinc/15/91/07/332159107.db2.gz DVULORNRSYFMDK-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@H+]2CCCO[C@@H](CC)C2)CC1 ZINC000491632878 332254788 /nfs/dbraw/zinc/25/47/88/332254788.db2.gz RNDXYRBBSPXUCA-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CCN1CCN(C(=O)CN2CCCO[C@@H](CC)C2)CC1 ZINC000491632878 332254789 /nfs/dbraw/zinc/25/47/89/332254789.db2.gz RNDXYRBBSPXUCA-HNNXBMFYSA-N 2 1 293.411 0.265 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000491730397 332312249 /nfs/dbraw/zinc/31/22/49/332312249.db2.gz OSYSJUWEFKRJQN-AWEZNQCLSA-N 2 1 280.416 0.712 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000491778959 332343998 /nfs/dbraw/zinc/34/39/98/332343998.db2.gz JPNIBBIZFIBCAC-OLZOCXBDSA-N 2 1 266.389 0.368 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)C[C@H](O)C1CC1)C[C@@H](O)C1CC1 ZINC000671241807 545244797 /nfs/dbraw/zinc/24/47/97/545244797.db2.gz DVEMZEZWVATHHZ-IYBDPMFKSA-N 2 1 280.412 0.395 20 30 CCEDMP C[NH+](CC#CC[N@H+](C)C[C@@H](O)C1CC1)C[C@H](O)C1CC1 ZINC000671241807 545244798 /nfs/dbraw/zinc/24/47/98/545244798.db2.gz DVEMZEZWVATHHZ-IYBDPMFKSA-N 2 1 280.412 0.395 20 30 CCEDMP C[NH+](CC#CC[N@@H+](C)C[C@@H](O)C1CC1)C[C@H](O)C1CC1 ZINC000671241807 545244799 /nfs/dbraw/zinc/24/47/99/545244799.db2.gz DVEMZEZWVATHHZ-IYBDPMFKSA-N 2 1 280.412 0.395 20 30 CCEDMP C#CCCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000766896615 581585371 /nfs/dbraw/zinc/58/53/71/581585371.db2.gz VFRMGFRSWVWGEA-UHFFFAOYSA-N 2 1 263.385 0.640 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCCC[NH+]1CCN(CC)CC1 ZINC000764266887 582040627 /nfs/dbraw/zinc/04/06/27/582040627.db2.gz RACVLUYDWRRMAJ-UHFFFAOYSA-N 2 1 282.432 0.248 20 30 CCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878865392 612947527 /nfs/dbraw/zinc/94/75/27/612947527.db2.gz XVNDMSPKADUMHV-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000895057112 613074252 /nfs/dbraw/zinc/07/42/52/613074252.db2.gz RRJJGVQXSJWFSP-UONOGXRCSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000895057112 613074254 /nfs/dbraw/zinc/07/42/54/613074254.db2.gz RRJJGVQXSJWFSP-UONOGXRCSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000895057112 613074257 /nfs/dbraw/zinc/07/42/57/613074257.db2.gz RRJJGVQXSJWFSP-UONOGXRCSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971793695 613084188 /nfs/dbraw/zinc/08/41/88/613084188.db2.gz FOKODKOOYFNMKI-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971793695 613084189 /nfs/dbraw/zinc/08/41/89/613084189.db2.gz FOKODKOOYFNMKI-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971793695 613084191 /nfs/dbraw/zinc/08/41/91/613084191.db2.gz FOKODKOOYFNMKI-ZIAGYGMSSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CCOCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000851860541 612984396 /nfs/dbraw/zinc/98/43/96/612984396.db2.gz KOYNAISTKJHVQR-RBSFLKMASA-N 2 1 266.385 0.820 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000847515877 612998933 /nfs/dbraw/zinc/99/89/33/612998933.db2.gz QUIJMDAKAPOJNZ-UHFFFAOYSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000961769872 613042678 /nfs/dbraw/zinc/04/26/78/613042678.db2.gz FJBSEAYRVYMHGI-NYTXWWLZSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC000961769872 613042679 /nfs/dbraw/zinc/04/26/79/613042679.db2.gz FJBSEAYRVYMHGI-NYTXWWLZSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC000961769872 613042680 /nfs/dbraw/zinc/04/26/80/613042680.db2.gz FJBSEAYRVYMHGI-NYTXWWLZSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)C1CC[NH+](C)CC1 ZINC000925346533 613067843 /nfs/dbraw/zinc/06/78/43/613067843.db2.gz CZLVQKBLHRLNCO-DZGCQCFKSA-N 2 1 292.427 0.818 20 30 CCEDMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000886573849 613068781 /nfs/dbraw/zinc/06/87/81/613068781.db2.gz YYKJJELZLRKKAE-AWEZNQCLSA-N 2 1 263.385 0.637 20 30 CCEDMP C#CC[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000886365821 613074619 /nfs/dbraw/zinc/07/46/19/613074619.db2.gz QDUDRSVOSMOIMP-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000861634897 613074649 /nfs/dbraw/zinc/07/46/49/613074649.db2.gz VCBRBYQIZZRKKF-IYBDPMFKSA-N 2 1 292.427 0.583 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+](CC#C)C1 ZINC000884377570 613076222 /nfs/dbraw/zinc/07/62/22/613076222.db2.gz OCYDGWSXISANGS-OAHLLOKOSA-N 2 1 290.411 0.338 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+](CC#C)C1 ZINC000884377570 613076223 /nfs/dbraw/zinc/07/62/23/613076223.db2.gz OCYDGWSXISANGS-OAHLLOKOSA-N 2 1 290.411 0.338 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@H+](CC#C)C1 ZINC000884377570 613076225 /nfs/dbraw/zinc/07/62/25/613076225.db2.gz OCYDGWSXISANGS-OAHLLOKOSA-N 2 1 290.411 0.338 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@@H+](CC#C)C1 ZINC000884377570 613076227 /nfs/dbraw/zinc/07/62/27/613076227.db2.gz OCYDGWSXISANGS-OAHLLOKOSA-N 2 1 290.411 0.338 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970928459 613122649 /nfs/dbraw/zinc/12/26/49/613122649.db2.gz LDXNTZKMZTZWCW-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000970928459 613122651 /nfs/dbraw/zinc/12/26/51/613122651.db2.gz LDXNTZKMZTZWCW-ZFWWWQNUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981959317 613156149 /nfs/dbraw/zinc/15/61/49/613156149.db2.gz LOOKHVVHEZIEPM-KGLIPLIRSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000981959317 613156150 /nfs/dbraw/zinc/15/61/50/613156150.db2.gz LOOKHVVHEZIEPM-KGLIPLIRSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981959317 613156151 /nfs/dbraw/zinc/15/61/51/613156151.db2.gz LOOKHVVHEZIEPM-KGLIPLIRSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981959317 613156152 /nfs/dbraw/zinc/15/61/52/613156152.db2.gz LOOKHVVHEZIEPM-KGLIPLIRSA-N 2 1 263.385 0.352 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884202514 613170899 /nfs/dbraw/zinc/17/08/99/613170899.db2.gz AAWJZLQWJLHEGE-ZIAGYGMSSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000884202514 613170900 /nfs/dbraw/zinc/17/09/00/613170900.db2.gz AAWJZLQWJLHEGE-ZIAGYGMSSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000884202514 613170901 /nfs/dbraw/zinc/17/09/01/613170901.db2.gz AAWJZLQWJLHEGE-ZIAGYGMSSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000884202514 613170902 /nfs/dbraw/zinc/17/09/02/613170902.db2.gz AAWJZLQWJLHEGE-ZIAGYGMSSA-N 2 1 290.411 0.620 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000884200688 613171711 /nfs/dbraw/zinc/17/17/11/613171711.db2.gz ISWYLDZZZBECGD-UONOGXRCSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000884200688 613171713 /nfs/dbraw/zinc/17/17/13/613171713.db2.gz ISWYLDZZZBECGD-UONOGXRCSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000884200688 613171714 /nfs/dbraw/zinc/17/17/14/613171714.db2.gz ISWYLDZZZBECGD-UONOGXRCSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000884200688 613171716 /nfs/dbraw/zinc/17/17/16/613171716.db2.gz ISWYLDZZZBECGD-UONOGXRCSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000923551788 613180882 /nfs/dbraw/zinc/18/08/82/613180882.db2.gz RRFNZWYZZFCGMB-ZDUSSCGKSA-N 2 1 261.369 0.296 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000923551788 613180883 /nfs/dbraw/zinc/18/08/83/613180883.db2.gz RRFNZWYZZFCGMB-ZDUSSCGKSA-N 2 1 261.369 0.296 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000890372403 613183523 /nfs/dbraw/zinc/18/35/23/613183523.db2.gz IUMGYTALSDFJGR-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000890372403 613183525 /nfs/dbraw/zinc/18/35/25/613183525.db2.gz IUMGYTALSDFJGR-LSDHHAIUSA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=S)NC2CC[NH+](C)CC2)C1 ZINC000905571739 613192164 /nfs/dbraw/zinc/19/21/64/613192164.db2.gz RXZRKLOFNWBPTM-AWEZNQCLSA-N 2 1 294.468 0.642 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=S)NC2CC[NH+](C)CC2)C1 ZINC000905571739 613192165 /nfs/dbraw/zinc/19/21/65/613192165.db2.gz RXZRKLOFNWBPTM-AWEZNQCLSA-N 2 1 294.468 0.642 20 30 CCEDMP C[NH+]=C(NCCC[N@H+]1CCCO[C@H](C)C1)NC1CC1 ZINC000849022521 613219505 /nfs/dbraw/zinc/21/95/05/613219505.db2.gz GMSVSHNKMYEBIL-GFCCVEGCSA-N 2 1 268.405 0.815 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944942507 613225481 /nfs/dbraw/zinc/22/54/81/613225481.db2.gz AEYVGVNUWSDNEC-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944942506 613226042 /nfs/dbraw/zinc/22/60/42/613226042.db2.gz AEYVGVNUWSDNEC-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221427 613226046 /nfs/dbraw/zinc/22/60/46/613226046.db2.gz UKTFLKJYKYOLFG-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977473643 613280572 /nfs/dbraw/zinc/28/05/72/613280572.db2.gz YECFFYRBZYFQJH-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473643 613280574 /nfs/dbraw/zinc/28/05/74/613280574.db2.gz YECFFYRBZYFQJH-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977473643 613280576 /nfs/dbraw/zinc/28/05/76/613280576.db2.gz YECFFYRBZYFQJH-UONOGXRCSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982807972 613292625 /nfs/dbraw/zinc/29/26/25/613292625.db2.gz JTWYJEPECXUMJU-CALCHBBNSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974584010 613298718 /nfs/dbraw/zinc/29/87/18/613298718.db2.gz CBFDUIGBOXBZOS-CABCVRRESA-N 2 1 289.423 0.788 20 30 CCEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000980893190 613310275 /nfs/dbraw/zinc/31/02/75/613310275.db2.gz HZCMLYRKBJQALA-AWEZNQCLSA-N 2 1 281.400 0.427 20 30 CCEDMP C=C(C)CN1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000980893190 613310277 /nfs/dbraw/zinc/31/02/77/613310277.db2.gz HZCMLYRKBJQALA-AWEZNQCLSA-N 2 1 281.400 0.427 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC000960285964 613313794 /nfs/dbraw/zinc/31/37/94/613313794.db2.gz DBUHACVLXGKYBV-AIANPOQGSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC000960285964 613313795 /nfs/dbraw/zinc/31/37/95/613313795.db2.gz DBUHACVLXGKYBV-AIANPOQGSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC000960285964 613313797 /nfs/dbraw/zinc/31/37/97/613313797.db2.gz DBUHACVLXGKYBV-AIANPOQGSA-N 2 1 289.423 0.929 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000961606828 613316719 /nfs/dbraw/zinc/31/67/19/613316719.db2.gz KMAFZEQRKNQARP-ARLBYUKCSA-N 2 1 298.390 0.434 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000961606828 613316721 /nfs/dbraw/zinc/31/67/21/613316721.db2.gz KMAFZEQRKNQARP-ARLBYUKCSA-N 2 1 298.390 0.434 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962298963 613344310 /nfs/dbraw/zinc/34/43/10/613344310.db2.gz QBIMFUMHJGDXBK-WDNDVIMCSA-N 2 1 275.396 0.705 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000900404293 613363915 /nfs/dbraw/zinc/36/39/15/613363915.db2.gz FUTNQOMWOPVIIQ-UHFFFAOYSA-N 2 1 251.374 0.801 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834595394 613366248 /nfs/dbraw/zinc/36/62/48/613366248.db2.gz XLVQSWACLGRMOC-OLZOCXBDSA-N 2 1 269.364 0.749 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876854285 613387542 /nfs/dbraw/zinc/38/75/42/613387542.db2.gz TZELGCWBYIFZPI-HTQZYQBOSA-N 2 1 267.707 0.522 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000876772954 613387888 /nfs/dbraw/zinc/38/78/88/613387888.db2.gz JWEIXPQFOXAYMR-MWLCHTKSSA-N 2 1 259.781 0.914 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981167452 613553392 /nfs/dbraw/zinc/55/33/92/613553392.db2.gz BLIJQXVFMKKLCT-INIZCTEOSA-N 2 1 289.423 0.886 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981167452 613553397 /nfs/dbraw/zinc/55/33/97/613553397.db2.gz BLIJQXVFMKKLCT-INIZCTEOSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923346307 613585885 /nfs/dbraw/zinc/58/58/85/613585885.db2.gz QYELELZKMCSLOM-UONOGXRCSA-N 2 1 283.416 0.633 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944169378 613595805 /nfs/dbraw/zinc/59/58/05/613595805.db2.gz OQVSRZJLEWLVGE-GJZGRUSLSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972629830 613627958 /nfs/dbraw/zinc/62/79/58/613627958.db2.gz YLVYIUUWCVJITQ-AWEZNQCLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970869942 613670216 /nfs/dbraw/zinc/67/02/16/613670216.db2.gz RXJMJMLCPQLKSR-RYUDHWBXSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982221158 613688301 /nfs/dbraw/zinc/68/83/01/613688301.db2.gz OEMKBMOVBBHWBQ-UHFFFAOYSA-N 2 1 281.400 0.429 20 30 CCEDMP C=CC[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982221158 613688302 /nfs/dbraw/zinc/68/83/02/613688302.db2.gz OEMKBMOVBBHWBQ-UHFFFAOYSA-N 2 1 281.400 0.429 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1=O ZINC000903499729 613778255 /nfs/dbraw/zinc/77/82/55/613778255.db2.gz MRMXIJJAWYDXEU-UPJWGTAASA-N 2 1 251.374 0.690 20 30 CCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979068201 613834975 /nfs/dbraw/zinc/83/49/75/613834975.db2.gz HCBPYORLOTVXDC-SYQHCUMBSA-N 2 1 263.385 0.418 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979068201 613834976 /nfs/dbraw/zinc/83/49/76/613834976.db2.gz HCBPYORLOTVXDC-SYQHCUMBSA-N 2 1 263.385 0.418 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979068201 613834977 /nfs/dbraw/zinc/83/49/77/613834977.db2.gz HCBPYORLOTVXDC-SYQHCUMBSA-N 2 1 263.385 0.418 20 30 CCEDMP C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925635067 613886066 /nfs/dbraw/zinc/88/60/66/613886066.db2.gz OBLBZJJITRBDPT-MNOVXSKESA-N 2 1 258.387 0.447 20 30 CCEDMP CC(C)NC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000104174564 614300111 /nfs/dbraw/zinc/30/01/11/614300111.db2.gz ORRJPYQZEOKUKZ-LBPRGKRZSA-N 2 1 255.410 0.183 20 30 CCEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])N[C@H](C)COC)CC1 ZINC000104174743 615160000 /nfs/dbraw/zinc/16/00/00/615160000.db2.gz LNQYLPSHVWFKBL-ZIAGYGMSSA-N 2 1 299.463 0.199 20 30 CCEDMP CC[NH+]1CCN(C[C@H](C)CNC2=[NH+]C[C@H](C)N2)CC1 ZINC000848994365 615160058 /nfs/dbraw/zinc/16/00/58/615160058.db2.gz FHFIAXQPCDVNBC-OLZOCXBDSA-N 2 1 267.421 0.197 20 30 CCEDMP CC[N@H+]1CC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852859599 615270744 /nfs/dbraw/zinc/27/07/44/615270744.db2.gz XSYVQRKDVLODEV-CQSZACIVSA-N 2 1 263.385 0.447 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026045557 625325535 /nfs/dbraw/zinc/32/55/35/625325535.db2.gz HWRIWCZLJOMJSD-BTFPBAQTSA-N 2 1 275.396 0.254 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001026045557 625325536 /nfs/dbraw/zinc/32/55/36/625325536.db2.gz HWRIWCZLJOMJSD-BTFPBAQTSA-N 2 1 275.396 0.254 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001026045557 625325541 /nfs/dbraw/zinc/32/55/41/625325541.db2.gz HWRIWCZLJOMJSD-BTFPBAQTSA-N 2 1 275.396 0.254 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001022714619 622689557 /nfs/dbraw/zinc/68/95/57/622689557.db2.gz XQZDOULASUCENQ-MELADBBJSA-N 2 1 286.379 0.624 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022716818 622693259 /nfs/dbraw/zinc/69/32/59/622693259.db2.gz JCGNXJUOXORPKJ-MQYQWHSLSA-N 2 1 265.401 0.997 20 30 CCEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023084503 622900691 /nfs/dbraw/zinc/90/06/91/622900691.db2.gz QSAGDCIKAYMUKO-UTUOFQBUSA-N 2 1 271.792 0.927 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023109686 622912869 /nfs/dbraw/zinc/91/28/69/622912869.db2.gz GJYBKGWDUKPTGR-HZSPNIEDSA-N 2 1 281.400 0.520 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023109686 622912873 /nfs/dbraw/zinc/91/28/73/622912873.db2.gz GJYBKGWDUKPTGR-HZSPNIEDSA-N 2 1 281.400 0.520 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023291819 622985338 /nfs/dbraw/zinc/98/53/38/622985338.db2.gz KYPOYEGKLZGUHR-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023291819 622985344 /nfs/dbraw/zinc/98/53/44/622985344.db2.gz KYPOYEGKLZGUHR-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023291819 622985350 /nfs/dbraw/zinc/98/53/50/622985350.db2.gz KYPOYEGKLZGUHR-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023291819 622985355 /nfs/dbraw/zinc/98/53/55/622985355.db2.gz KYPOYEGKLZGUHR-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024441269 623324378 /nfs/dbraw/zinc/32/43/78/623324378.db2.gz CHMAPWRTLCZVQX-HZPDHXFCSA-N 2 1 289.423 0.932 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001024808180 623450153 /nfs/dbraw/zinc/45/01/53/623450153.db2.gz DOKWLYAARLGVPT-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001024808180 623450158 /nfs/dbraw/zinc/45/01/58/623450158.db2.gz DOKWLYAARLGVPT-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001024808180 623450163 /nfs/dbraw/zinc/45/01/63/623450163.db2.gz DOKWLYAARLGVPT-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024808180 623450165 /nfs/dbraw/zinc/45/01/65/623450165.db2.gz DOKWLYAARLGVPT-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024808180 623450168 /nfs/dbraw/zinc/45/01/68/623450168.db2.gz DOKWLYAARLGVPT-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001026894001 625655094 /nfs/dbraw/zinc/65/50/94/625655094.db2.gz SZMVKCQQUBCONG-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001026894001 625655104 /nfs/dbraw/zinc/65/51/04/625655104.db2.gz SZMVKCQQUBCONG-HOTGVXAUSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000328102228 623857599 /nfs/dbraw/zinc/85/75/99/623857599.db2.gz LNNGVEOGEJXBCB-MGPQQGTHSA-N 2 1 254.374 0.724 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000328102228 623857601 /nfs/dbraw/zinc/85/76/01/623857601.db2.gz LNNGVEOGEJXBCB-MGPQQGTHSA-N 2 1 254.374 0.724 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001020591142 624545153 /nfs/dbraw/zinc/54/51/53/624545153.db2.gz FRCVGVWQKKXLQB-JOCQHMNTSA-N 2 1 263.385 0.588 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001021079201 624658079 /nfs/dbraw/zinc/65/80/79/624658079.db2.gz WABWPEPHEIOKBP-AVGNSLFASA-N 2 1 267.373 0.130 20 30 CCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001021079201 624658082 /nfs/dbraw/zinc/65/80/82/624658082.db2.gz WABWPEPHEIOKBP-AVGNSLFASA-N 2 1 267.373 0.130 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027350079 625846302 /nfs/dbraw/zinc/84/63/02/625846302.db2.gz HGPVLXMPIRVZCG-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027350079 625846307 /nfs/dbraw/zinc/84/63/07/625846307.db2.gz HGPVLXMPIRVZCG-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001027350079 625846308 /nfs/dbraw/zinc/84/63/08/625846308.db2.gz HGPVLXMPIRVZCG-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001027350079 625846312 /nfs/dbraw/zinc/84/63/12/625846312.db2.gz HGPVLXMPIRVZCG-ZIAGYGMSSA-N 2 1 281.400 0.426 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001027682885 630850908 /nfs/dbraw/zinc/85/09/08/630850908.db2.gz YUNQHFVJFRWOJX-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001027682885 630850911 /nfs/dbraw/zinc/85/09/11/630850911.db2.gz YUNQHFVJFRWOJX-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001027792219 630921389 /nfs/dbraw/zinc/92/13/89/630921389.db2.gz LWHBISOSKNCGAH-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792219 630921400 /nfs/dbraw/zinc/92/14/00/630921400.db2.gz LWHBISOSKNCGAH-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792219 630921413 /nfs/dbraw/zinc/92/14/13/630921413.db2.gz LWHBISOSKNCGAH-STQMWFEESA-N 2 1 251.374 0.847 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083094592 630968161 /nfs/dbraw/zinc/96/81/61/630968161.db2.gz NLQOKOMSFCEYBC-OCCSQVGLSA-N 2 1 280.416 0.957 20 30 CCEDMP CC[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083094592 630968168 /nfs/dbraw/zinc/96/81/68/630968168.db2.gz NLQOKOMSFCEYBC-OCCSQVGLSA-N 2 1 280.416 0.957 20 30 CCEDMP COCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000178726020 631533180 /nfs/dbraw/zinc/53/31/80/631533180.db2.gz YQHOIXLSHUKFDL-ZDUSSCGKSA-N 2 1 270.421 0.905 20 30 CCEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000985355052 632446959 /nfs/dbraw/zinc/44/69/59/632446959.db2.gz SKGDQXPBXLDVFB-CQSZACIVSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000985355052 632446964 /nfs/dbraw/zinc/44/69/64/632446964.db2.gz SKGDQXPBXLDVFB-CQSZACIVSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000985355052 632446968 /nfs/dbraw/zinc/44/69/68/632446968.db2.gz SKGDQXPBXLDVFB-CQSZACIVSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000985355052 632446973 /nfs/dbraw/zinc/44/69/73/632446973.db2.gz SKGDQXPBXLDVFB-CQSZACIVSA-N 2 1 281.400 0.426 20 30 CCEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000985355052 632446977 /nfs/dbraw/zinc/44/69/77/632446977.db2.gz SKGDQXPBXLDVFB-CQSZACIVSA-N 2 1 281.400 0.426 20 30 CCEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000304013773 632504834 /nfs/dbraw/zinc/50/48/34/632504834.db2.gz CBJXRSKLZTZYNF-STQMWFEESA-N 2 1 268.405 0.944 20 30 CCEDMP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000988962240 633130887 /nfs/dbraw/zinc/13/08/87/633130887.db2.gz RIMQHJDEVBBNRS-CHWSQXEVSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001008523504 650118565 /nfs/dbraw/zinc/11/85/65/650118565.db2.gz ULNIIDMCCUAINO-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001008523504 650118566 /nfs/dbraw/zinc/11/85/66/650118566.db2.gz ULNIIDMCCUAINO-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008523504 650118567 /nfs/dbraw/zinc/11/85/67/650118567.db2.gz ULNIIDMCCUAINO-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008523504 650118568 /nfs/dbraw/zinc/11/85/68/650118568.db2.gz ULNIIDMCCUAINO-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010382613 650212503 /nfs/dbraw/zinc/21/25/03/650212503.db2.gz LJMFSRSUBNQDRE-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010382613 650212506 /nfs/dbraw/zinc/21/25/06/650212506.db2.gz LJMFSRSUBNQDRE-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010382613 650212508 /nfs/dbraw/zinc/21/25/08/650212508.db2.gz LJMFSRSUBNQDRE-CHWSQXEVSA-N 2 1 251.374 0.847 20 30 CCEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000170914727 637105591 /nfs/dbraw/zinc/10/55/91/637105591.db2.gz KKGAMTIPSXYOJS-LBPRGKRZSA-N 2 1 277.372 0.919 20 30 CCEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000996998172 638847675 /nfs/dbraw/zinc/84/76/75/638847675.db2.gz IFUKFIASGABFPV-HIFRSBDPSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000996998172 638847676 /nfs/dbraw/zinc/84/76/76/638847676.db2.gz IFUKFIASGABFPV-HIFRSBDPSA-N 2 1 295.427 0.720 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014456127 650453077 /nfs/dbraw/zinc/45/30/77/650453077.db2.gz NIFCFUQVBQKHAS-LSDHHAIUSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999509000 638983674 /nfs/dbraw/zinc/98/36/74/638983674.db2.gz IMEJQMQPJHZYMT-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001000904433 639187564 /nfs/dbraw/zinc/18/75/64/639187564.db2.gz VHYIWBHQGMIGFG-UHFFFAOYSA-N 2 1 287.407 0.996 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001000921416 639194761 /nfs/dbraw/zinc/19/47/61/639194761.db2.gz VMBYSBVSSJBBHG-ZDUSSCGKSA-N 2 1 260.341 0.405 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001145790 639246209 /nfs/dbraw/zinc/24/62/09/639246209.db2.gz VSFGIKXNUSGKRL-DZGCQCFKSA-N 2 1 275.396 0.566 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001145790 639246220 /nfs/dbraw/zinc/24/62/20/639246220.db2.gz VSFGIKXNUSGKRL-DZGCQCFKSA-N 2 1 275.396 0.566 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001145790 639246232 /nfs/dbraw/zinc/24/62/32/639246232.db2.gz VSFGIKXNUSGKRL-DZGCQCFKSA-N 2 1 275.396 0.566 20 30 CCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001151004 639247401 /nfs/dbraw/zinc/24/74/01/639247401.db2.gz JSEYZIHZWJKSBR-ZBFHGGJFSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001151004 639247405 /nfs/dbraw/zinc/24/74/05/639247405.db2.gz JSEYZIHZWJKSBR-ZBFHGGJFSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001151004 639247414 /nfs/dbraw/zinc/24/74/14/639247414.db2.gz JSEYZIHZWJKSBR-ZBFHGGJFSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001150729 639247813 /nfs/dbraw/zinc/24/78/13/639247813.db2.gz JSEYZIHZWJKSBR-GDBMZVCRSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001150729 639247818 /nfs/dbraw/zinc/24/78/18/639247818.db2.gz JSEYZIHZWJKSBR-GDBMZVCRSA-N 2 1 289.423 0.956 20 30 CCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001150729 639247824 /nfs/dbraw/zinc/24/78/24/639247824.db2.gz JSEYZIHZWJKSBR-GDBMZVCRSA-N 2 1 289.423 0.956 20 30 CCEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001001278485 639273475 /nfs/dbraw/zinc/27/34/75/639273475.db2.gz LQPUYGARYWEJDW-AWEZNQCLSA-N 2 1 281.400 0.331 20 30 CCEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001001278485 639273479 /nfs/dbraw/zinc/27/34/79/639273479.db2.gz LQPUYGARYWEJDW-AWEZNQCLSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001001447564 639305958 /nfs/dbraw/zinc/30/59/58/639305958.db2.gz CKRDOWDGAGISNI-AWEZNQCLSA-N 2 1 261.369 0.320 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001001447564 639305967 /nfs/dbraw/zinc/30/59/67/639305967.db2.gz CKRDOWDGAGISNI-AWEZNQCLSA-N 2 1 261.369 0.320 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001001447564 639305973 /nfs/dbraw/zinc/30/59/73/639305973.db2.gz CKRDOWDGAGISNI-AWEZNQCLSA-N 2 1 261.369 0.320 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCF)C2)CC1 ZINC001016335199 639466316 /nfs/dbraw/zinc/46/63/16/639466316.db2.gz BPIMCQILRXWJOV-HNNXBMFYSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](C)O)CC1 ZINC001003056723 639500048 /nfs/dbraw/zinc/50/00/48/639500048.db2.gz RAINYZDSXFXIPX-ZFWWWQNUSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](C)O)CC1 ZINC001003056723 639500050 /nfs/dbraw/zinc/50/00/50/639500050.db2.gz RAINYZDSXFXIPX-ZFWWWQNUSA-N 2 1 293.411 0.045 20 30 CCEDMP CC1(C)CC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)O1 ZINC000186887718 639850620 /nfs/dbraw/zinc/85/06/20/639850620.db2.gz WDMNVTRDOSDQHC-ZDUSSCGKSA-N 2 1 298.431 0.571 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015997411 650672366 /nfs/dbraw/zinc/67/23/66/650672366.db2.gz BXFSJSFOFSDOQG-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015997411 650672368 /nfs/dbraw/zinc/67/23/68/650672368.db2.gz BXFSJSFOFSDOQG-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015997411 650672372 /nfs/dbraw/zinc/67/23/72/650672372.db2.gz BXFSJSFOFSDOQG-ZIAGYGMSSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003253 650673531 /nfs/dbraw/zinc/67/35/31/650673531.db2.gz FCOHYLORAAEFFV-CYBMUJFWSA-N 2 1 261.369 0.296 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003253 650673533 /nfs/dbraw/zinc/67/35/33/650673533.db2.gz FCOHYLORAAEFFV-CYBMUJFWSA-N 2 1 261.369 0.296 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC#C)CC2 ZINC001016671792 650753062 /nfs/dbraw/zinc/75/30/62/650753062.db2.gz ZFECIPSXLWHEAY-HOTGVXAUSA-N 2 1 299.418 0.688 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC#C)CC2 ZINC001016671792 650753066 /nfs/dbraw/zinc/75/30/66/650753066.db2.gz ZFECIPSXLWHEAY-HOTGVXAUSA-N 2 1 299.418 0.688 20 30 CCEDMP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834493196 642582993 /nfs/dbraw/zinc/58/29/93/642582993.db2.gz BPPDHFDRAKYBDR-NEPJUHHUSA-N 2 1 261.329 0.200 20 30 CCEDMP C[C@H]1C[N@H+](Cc2ccccn2)CCC1N=NC1=[NH+]CCN1 ZINC000841658440 642828840 /nfs/dbraw/zinc/82/88/40/642828840.db2.gz ANNUCZAQAPTSJJ-LBPRGKRZSA-N 2 1 286.383 0.828 20 30 CCEDMP C[C@H]1C[N@@H+](Cc2ccccn2)CCC1N=NC1=[NH+]CCN1 ZINC000841658440 642828845 /nfs/dbraw/zinc/82/88/45/642828845.db2.gz ANNUCZAQAPTSJJ-LBPRGKRZSA-N 2 1 286.383 0.828 20 30 CCEDMP C[C@H](C#N)OCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852762901 643997294 /nfs/dbraw/zinc/99/72/94/643997294.db2.gz ZJFMDGHRLJRSLK-ZIAGYGMSSA-N 2 1 269.389 0.958 20 30 CCEDMP C[C@H](C#N)OCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852762901 643997300 /nfs/dbraw/zinc/99/73/00/643997300.db2.gz ZJFMDGHRLJRSLK-ZIAGYGMSSA-N 2 1 269.389 0.958 20 30 CCEDMP CC[NH+]1CCN(CCCCNC(NC2CC2)=[NH+]C)CC1 ZINC000303401201 649819317 /nfs/dbraw/zinc/81/93/17/649819317.db2.gz LSWTUQXDBWCMKH-UHFFFAOYSA-N 2 1 281.448 0.732 20 30 CCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303701028 649824131 /nfs/dbraw/zinc/82/41/31/649824131.db2.gz HWZRPTHQCOLOBD-ZIAGYGMSSA-N 3 1 281.448 0.859 20 30 CCEDMP C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000303874330 649825909 /nfs/dbraw/zinc/82/59/09/649825909.db2.gz HDKCKNVADVPWCA-CABCVRRESA-N 2 1 295.475 0.917 20 30 CCEDMP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303898586 649826584 /nfs/dbraw/zinc/82/65/84/649826584.db2.gz RDVXWWQJFRQYDI-CQSZACIVSA-N 3 1 299.463 0.343 20 30 CCEDMP CC[N@@H+](CCNC(NCCN1CCOCC1)=[NH+]C)C(C)C ZINC000303970188 649827239 /nfs/dbraw/zinc/82/72/39/649827239.db2.gz CJZHVTUMXVIASC-UHFFFAOYSA-N 2 1 299.463 0.214 20 30 CCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCCCC1 ZINC000303975485 649827412 /nfs/dbraw/zinc/82/74/12/649827412.db2.gz JBIPMFXFIPDFLM-CYBMUJFWSA-N 2 1 268.405 0.898 20 30 CCEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCCCC1 ZINC000303975486 649827490 /nfs/dbraw/zinc/82/74/90/649827490.db2.gz JBIPMFXFIPDFLM-ZDUSSCGKSA-N 2 1 268.405 0.898 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)C(=O)OC ZINC000303976751 649827576 /nfs/dbraw/zinc/82/75/76/649827576.db2.gz KNVSCUWENXBLDV-GHMZBOCLSA-N 2 1 270.377 0.184 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOC[C@H]1CCCO1 ZINC000304757117 649838159 /nfs/dbraw/zinc/83/81/59/649838159.db2.gz OJSJPLWOELQKRB-UONOGXRCSA-N 2 1 298.431 0.571 20 30 CCEDMP C=CCOCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001266308693 790483160 /nfs/dbraw/zinc/48/31/60/790483160.db2.gz AJVWYSUFVRFPFM-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCOCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266308693 790483164 /nfs/dbraw/zinc/48/31/64/790483164.db2.gz AJVWYSUFVRFPFM-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCOCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001266308693 790483169 /nfs/dbraw/zinc/48/31/69/790483169.db2.gz AJVWYSUFVRFPFM-CYBMUJFWSA-N 2 1 269.389 0.331 20 30 CCEDMP C#CC[NH+](CCO)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001098525002 790499545 /nfs/dbraw/zinc/49/95/45/790499545.db2.gz ZEXXBJJOTLKEKB-UHFFFAOYSA-N 2 1 295.427 0.247 20 30 CCEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001098525002 790499550 /nfs/dbraw/zinc/49/95/50/790499550.db2.gz ZEXXBJJOTLKEKB-UHFFFAOYSA-N 2 1 295.427 0.247 20 30 CCEDMP C#CC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001098525002 790499556 /nfs/dbraw/zinc/49/95/56/790499556.db2.gz ZEXXBJJOTLKEKB-UHFFFAOYSA-N 2 1 295.427 0.247 20 30 CCEDMP C=CC[N@@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266427796 790681331 /nfs/dbraw/zinc/68/13/31/790681331.db2.gz AYYOJEDUGBHBFV-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[NH+](CC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266427796 790681340 /nfs/dbraw/zinc/68/13/40/790681340.db2.gz AYYOJEDUGBHBFV-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=CC[NH+](CC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266427796 790681346 /nfs/dbraw/zinc/68/13/46/790681346.db2.gz AYYOJEDUGBHBFV-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001041677422 790827083 /nfs/dbraw/zinc/82/70/83/790827083.db2.gz BXJHRJBHMLCMEK-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041677422 790827096 /nfs/dbraw/zinc/82/70/96/790827096.db2.gz BXJHRJBHMLCMEK-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041677422 790827108 /nfs/dbraw/zinc/82/71/08/790827108.db2.gz BXJHRJBHMLCMEK-RDJZCZTQSA-N 2 1 289.423 0.886 20 30 CCEDMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001266533673 790887210 /nfs/dbraw/zinc/88/72/10/790887210.db2.gz ODDNTLAEVCAFNW-CABCVRRESA-N 2 1 295.427 0.415 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267041422 791474119 /nfs/dbraw/zinc/47/41/19/791474119.db2.gz NNCAJHQYOGIFKK-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267068783 791495897 /nfs/dbraw/zinc/49/58/97/791495897.db2.gz ITVJQGCMMLZACI-ZIAGYGMSSA-N 2 1 263.385 0.400 20 30 CCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC#CCOC ZINC001267116699 791556771 /nfs/dbraw/zinc/55/67/71/791556771.db2.gz FLJAWUQDCBZPPO-HNNXBMFYSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001167636800 791663894 /nfs/dbraw/zinc/66/38/94/791663894.db2.gz VXDXYPHIUSLLAI-UHFFFAOYSA-N 2 1 265.401 0.838 20 30 CCEDMP C#CCC[N@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001267230520 791709374 /nfs/dbraw/zinc/70/93/74/791709374.db2.gz QKQWSZVDCJFQKW-AWEZNQCLSA-N 2 1 281.400 0.026 20 30 CCEDMP N#Cc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1 ZINC001234979356 806322520 /nfs/dbraw/zinc/32/25/20/806322520.db2.gz CPTGOKFCXLEEOT-HNNXBMFYSA-N 2 1 256.353 0.696 20 30 CCEDMP C#CCOc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1 ZINC001234983882 806328812 /nfs/dbraw/zinc/32/88/12/806328812.db2.gz ZECGZAYLMKGKTB-KRWDZBQOSA-N 2 1 285.391 0.836 20 30 CCEDMP C#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001122248503 799179137 /nfs/dbraw/zinc/17/91/37/799179137.db2.gz JYMDEKMLFKZXNU-UHFFFAOYSA-N 2 1 277.412 0.977 20 30 CCEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150195364 800322600 /nfs/dbraw/zinc/32/26/00/800322600.db2.gz YTPBXBQBHPEXER-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151748436 800453900 /nfs/dbraw/zinc/45/39/00/800453900.db2.gz FKVLTWJCMGNEHY-NSHDSACASA-N 2 1 275.780 0.165 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151748436 800453902 /nfs/dbraw/zinc/45/39/02/800453902.db2.gz FKVLTWJCMGNEHY-NSHDSACASA-N 2 1 275.780 0.165 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152457397 800525705 /nfs/dbraw/zinc/52/57/05/800525705.db2.gz DAGAXUWGOYHGFK-AWEZNQCLSA-N 2 1 283.416 0.769 20 30 CCEDMP N#Cc1cncc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155373269 800960789 /nfs/dbraw/zinc/96/07/89/800960789.db2.gz PNYJHAXHCAZJHV-CYBMUJFWSA-N 2 1 272.356 0.208 20 30 CCEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158506540 801660302 /nfs/dbraw/zinc/66/03/02/801660302.db2.gz LUBYVJNOOVBMOM-CABCVRRESA-N 2 1 295.427 0.912 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](F)CC ZINC001160209597 801920605 /nfs/dbraw/zinc/92/06/05/801920605.db2.gz RQODKPYKTPLDQA-KBPBESRZSA-N 2 1 283.391 0.928 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](F)CC ZINC001160209597 801920611 /nfs/dbraw/zinc/92/06/11/801920611.db2.gz RQODKPYKTPLDQA-KBPBESRZSA-N 2 1 283.391 0.928 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160273216 801926475 /nfs/dbraw/zinc/92/64/75/801926475.db2.gz JLJTUCGIYRSLTH-AWEZNQCLSA-N 2 1 265.401 0.980 20 30 CCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862579 802034663 /nfs/dbraw/zinc/03/46/63/802034663.db2.gz RFWVECGRULLJRZ-VXGBXAGGSA-N 2 1 289.807 0.554 20 30 CCEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862579 802034670 /nfs/dbraw/zinc/03/46/70/802034670.db2.gz RFWVECGRULLJRZ-VXGBXAGGSA-N 2 1 289.807 0.554 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001278326669 806964659 /nfs/dbraw/zinc/96/46/59/806964659.db2.gz SNXOGTQDZHHCFZ-LSDHHAIUSA-N 2 1 295.427 0.555 20 30 CCEDMP N#Cc1c[nH]c2ncnc(NCC[NH+]3CCC([NH3+])CC3)c12 ZINC001161867652 802234683 /nfs/dbraw/zinc/23/46/83/802234683.db2.gz UPMJBWPWHIVGME-UHFFFAOYSA-N 2 1 285.355 0.665 20 30 CCEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872637 802431663 /nfs/dbraw/zinc/43/16/63/802431663.db2.gz ZBAOIQXMPVDRPU-BBBYJDLNSA-N 2 1 293.411 0.522 20 30 CCEDMP COCC#CC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166626950 802926647 /nfs/dbraw/zinc/92/66/47/802926647.db2.gz MZJAMYXXFBGZCK-AWEZNQCLSA-N 2 1 281.400 0.216 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699334 803042937 /nfs/dbraw/zinc/04/29/37/803042937.db2.gz IMFCTGLZNWMVPJ-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP N#Cc1ccc2cc(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)[nH]c2c1 ZINC001206492517 803253268 /nfs/dbraw/zinc/25/32/68/803253268.db2.gz VQLLTBFCBXFILI-SWLSCSKDSA-N 2 1 270.336 0.791 20 30 CCEDMP N#Cc1ccc2cc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)[nH]c2c1 ZINC001206492517 803253273 /nfs/dbraw/zinc/25/32/73/803253273.db2.gz VQLLTBFCBXFILI-SWLSCSKDSA-N 2 1 270.336 0.791 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCOC)C1 ZINC001208353220 803509063 /nfs/dbraw/zinc/50/90/63/803509063.db2.gz ZSLATAGFJWQXEX-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCOC)C1 ZINC001208353220 803509065 /nfs/dbraw/zinc/50/90/65/803509065.db2.gz ZSLATAGFJWQXEX-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435087 803514794 /nfs/dbraw/zinc/51/47/94/803514794.db2.gz RKQGXRGGHUGIPQ-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495936 803518288 /nfs/dbraw/zinc/51/82/88/803518288.db2.gz DNXDABFYJRHEJA-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514968 803608346 /nfs/dbraw/zinc/60/83/46/803608346.db2.gz RNLGMJZWLCKYNP-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514968 803608352 /nfs/dbraw/zinc/60/83/52/803608352.db2.gz RNLGMJZWLCKYNP-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213859856 803703835 /nfs/dbraw/zinc/70/38/35/803703835.db2.gz MYHVHZNPXGXOTN-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213859856 803703837 /nfs/dbraw/zinc/70/38/37/803703837.db2.gz MYHVHZNPXGXOTN-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213859856 803703841 /nfs/dbraw/zinc/70/38/41/803703841.db2.gz MYHVHZNPXGXOTN-RRFJBIMHSA-N 2 1 295.427 0.720 20 30 CCEDMP COCC#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001276711840 803744671 /nfs/dbraw/zinc/74/46/71/803744671.db2.gz NZNJOSAYAMPVLR-HNNXBMFYSA-N 2 1 295.427 0.461 20 30 CCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752523 803854734 /nfs/dbraw/zinc/85/47/34/803854734.db2.gz SICADWFIHAFHKG-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801769 803856668 /nfs/dbraw/zinc/85/66/68/803856668.db2.gz UOPFLJYILUQDKT-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801769 803856678 /nfs/dbraw/zinc/85/66/78/803856678.db2.gz UOPFLJYILUQDKT-RBSFLKMASA-N 2 1 293.411 0.167 20 30 CCEDMP C#C[C@](C)([NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219536658 804341564 /nfs/dbraw/zinc/34/15/64/804341564.db2.gz DMUAETSRENRNKI-FMSQNYNMSA-N 2 1 271.320 0.424 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220366843 804581387 /nfs/dbraw/zinc/58/13/87/804581387.db2.gz DOLFXYNQHNEUPI-KGLIPLIRSA-N 2 1 297.443 0.702 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220366843 804581392 /nfs/dbraw/zinc/58/13/92/804581392.db2.gz DOLFXYNQHNEUPI-KGLIPLIRSA-N 2 1 297.443 0.702 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220366843 804581395 /nfs/dbraw/zinc/58/13/95/804581395.db2.gz DOLFXYNQHNEUPI-KGLIPLIRSA-N 2 1 297.443 0.702 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220351786 804582247 /nfs/dbraw/zinc/58/22/47/804582247.db2.gz IUXDHXJPFHDRCO-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220351786 804582252 /nfs/dbraw/zinc/58/22/52/804582252.db2.gz IUXDHXJPFHDRCO-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220351786 804582256 /nfs/dbraw/zinc/58/22/56/804582256.db2.gz IUXDHXJPFHDRCO-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220829696 804676842 /nfs/dbraw/zinc/67/68/42/804676842.db2.gz ZANMAXUARZOKIN-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587668 804832603 /nfs/dbraw/zinc/83/26/03/804832603.db2.gz CVPXMDLCCKWMQR-QLFBSQMISA-N 2 1 295.402 0.832 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587668 804832611 /nfs/dbraw/zinc/83/26/11/804832611.db2.gz CVPXMDLCCKWMQR-QLFBSQMISA-N 2 1 295.402 0.832 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221772886 804842795 /nfs/dbraw/zinc/84/27/95/804842795.db2.gz PVFWKVJQEUZWPH-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221772886 804842802 /nfs/dbraw/zinc/84/28/02/804842802.db2.gz PVFWKVJQEUZWPH-ZIAGYGMSSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001276956538 805014558 /nfs/dbraw/zinc/01/45/58/805014558.db2.gz NRLAFYDMJMJYEP-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001276956538 805014569 /nfs/dbraw/zinc/01/45/69/805014569.db2.gz NRLAFYDMJMJYEP-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001276956538 805014581 /nfs/dbraw/zinc/01/45/81/805014581.db2.gz NRLAFYDMJMJYEP-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001277391351 805537947 /nfs/dbraw/zinc/53/79/47/805537947.db2.gz IIOFMZZFVARODE-OAHLLOKOSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001277391351 805537952 /nfs/dbraw/zinc/53/79/52/805537952.db2.gz IIOFMZZFVARODE-OAHLLOKOSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001277391351 805537958 /nfs/dbraw/zinc/53/79/58/805537958.db2.gz IIOFMZZFVARODE-OAHLLOKOSA-N 2 1 293.411 0.263 20 30 CCEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001277391351 805537963 /nfs/dbraw/zinc/53/79/63/805537963.db2.gz IIOFMZZFVARODE-OAHLLOKOSA-N 2 1 293.411 0.263 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246027636 807124891 /nfs/dbraw/zinc/12/48/91/807124891.db2.gz ILPZRUJRWBIVKU-KBPBESRZSA-N 2 1 254.374 0.768 20 30 CCEDMP C=CCOC[C@@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246027636 807124896 /nfs/dbraw/zinc/12/48/96/807124896.db2.gz ILPZRUJRWBIVKU-KBPBESRZSA-N 2 1 254.374 0.768 20 30 CCEDMP N#C[C@@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN1 ZINC001246152479 807168850 /nfs/dbraw/zinc/16/88/50/807168850.db2.gz ZARDGHYBGCWIAF-RDBSUJKOSA-N 2 1 277.416 0.094 20 30 CCEDMP CC[N@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@H](C)C1 ZINC001251712251 807696863 /nfs/dbraw/zinc/69/68/63/807696863.db2.gz ZBUVXHBBIVGOGS-CYBMUJFWSA-N 2 1 266.389 0.287 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001278728120 808075949 /nfs/dbraw/zinc/07/59/49/808075949.db2.gz BOGMYRSUQJSZDG-AWEZNQCLSA-N 2 1 293.411 0.216 20 30 CCEDMP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001278737971 808127381 /nfs/dbraw/zinc/12/73/81/808127381.db2.gz XJRBBMXOKKSJBW-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001278778980 808221793 /nfs/dbraw/zinc/22/17/93/808221793.db2.gz DQHLYEBKEXSDAG-AWEZNQCLSA-N 2 1 294.399 0.567 20 30 CCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001278906846 808460944 /nfs/dbraw/zinc/46/09/44/808460944.db2.gz FKIGPBWAMMLUIU-CQSZACIVSA-N 2 1 295.427 0.457 20 30 CCEDMP C=CCCC[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001278906846 808460950 /nfs/dbraw/zinc/46/09/50/808460950.db2.gz FKIGPBWAMMLUIU-CQSZACIVSA-N 2 1 295.427 0.457 20 30 CCEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001279205016 808534557 /nfs/dbraw/zinc/53/45/57/808534557.db2.gz RMLKAVVTPVWRGZ-KBPBESRZSA-N 2 1 265.401 0.644 20 30 CCEDMP C#CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC001263101332 809443699 /nfs/dbraw/zinc/44/36/99/809443699.db2.gz PIOHRRFUKBBGOP-HUUCEWRRSA-N 2 1 295.427 0.462 20 30 CCEDMP C=CCOCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001263879197 809597151 /nfs/dbraw/zinc/59/71/51/809597151.db2.gz QFOAJAUMRGLDJM-RBSFLKMASA-N 2 1 295.427 0.625 20 30 CCEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001264566799 809663055 /nfs/dbraw/zinc/66/30/55/809663055.db2.gz IHJOJKQGEVGROR-ILXRZTDVSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076572993 815310318 /nfs/dbraw/zinc/31/03/18/815310318.db2.gz KHGDVOCTKUCFNQ-UONOGXRCSA-N 2 1 261.369 0.248 20 30 CCEDMP C#CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001265201469 809722349 /nfs/dbraw/zinc/72/23/49/809722349.db2.gz OSNUPGFYTZRTOD-UHFFFAOYSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001265317272 809757297 /nfs/dbraw/zinc/75/72/97/809757297.db2.gz MHFKRJBISVJVQE-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265318800 809757557 /nfs/dbraw/zinc/75/75/57/809757557.db2.gz DJJAGSUGRKFXES-LSDHHAIUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265318800 809757560 /nfs/dbraw/zinc/75/75/60/809757560.db2.gz DJJAGSUGRKFXES-LSDHHAIUSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCOC)C1CC1 ZINC001265358798 809763926 /nfs/dbraw/zinc/76/39/26/809763926.db2.gz QMTCHWJWXITRRE-CABCVRRESA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCOC)C1CC1 ZINC001265358798 809763931 /nfs/dbraw/zinc/76/39/31/809763931.db2.gz QMTCHWJWXITRRE-CABCVRRESA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001265401270 809772577 /nfs/dbraw/zinc/77/25/77/809772577.db2.gz OXBZRCYULCQYRL-AWEZNQCLSA-N 2 1 274.368 0.687 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265590983 809811263 /nfs/dbraw/zinc/81/12/63/809811263.db2.gz LZACNOWZSUMXKH-CABCVRRESA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265590983 809811267 /nfs/dbraw/zinc/81/12/67/809811267.db2.gz LZACNOWZSUMXKH-CABCVRRESA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265590983 809811271 /nfs/dbraw/zinc/81/12/71/809811271.db2.gz LZACNOWZSUMXKH-CABCVRRESA-N 2 1 277.412 0.790 20 30 CCEDMP C=CC[NH2+][C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001265794742 809856310 /nfs/dbraw/zinc/85/63/10/809856310.db2.gz WFZJIKFWJWPZIE-JTQLQIEISA-N 2 1 266.345 0.630 20 30 CCEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266040725 809924269 /nfs/dbraw/zinc/92/42/69/809924269.db2.gz NIZQJDCUIXZUFV-OAHLLOKOSA-N 2 1 295.427 0.415 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267694181 811658249 /nfs/dbraw/zinc/65/82/49/811658249.db2.gz DDJBPUPACVZFEB-UHFFFAOYSA-N 2 1 263.385 0.400 20 30 CCEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267723750 811689411 /nfs/dbraw/zinc/68/94/11/811689411.db2.gz JHWWSTQFAMBRMJ-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267723750 811689417 /nfs/dbraw/zinc/68/94/17/811689417.db2.gz JHWWSTQFAMBRMJ-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267723750 811689422 /nfs/dbraw/zinc/68/94/22/811689422.db2.gz JHWWSTQFAMBRMJ-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP COCC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267723750 811689427 /nfs/dbraw/zinc/68/94/27/811689427.db2.gz JHWWSTQFAMBRMJ-QLFBSQMISA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001100873146 812089637 /nfs/dbraw/zinc/08/96/37/812089637.db2.gz WEAPASRBNCMKFQ-NFOMZHRRSA-N 2 1 277.412 0.836 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966170 812173972 /nfs/dbraw/zinc/17/39/72/812173972.db2.gz LISBURKKDLAWIR-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966170 812173975 /nfs/dbraw/zinc/17/39/75/812173975.db2.gz LISBURKKDLAWIR-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966170 812173977 /nfs/dbraw/zinc/17/39/77/812173977.db2.gz LISBURKKDLAWIR-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966170 812173983 /nfs/dbraw/zinc/17/39/83/812173983.db2.gz LISBURKKDLAWIR-MGPQQGTHSA-N 2 1 281.400 0.472 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001268229218 812385255 /nfs/dbraw/zinc/38/52/55/812385255.db2.gz PIJIOFJQPXOMDD-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001268229218 812385267 /nfs/dbraw/zinc/38/52/67/812385267.db2.gz PIJIOFJQPXOMDD-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001268229218 812385276 /nfs/dbraw/zinc/38/52/76/812385276.db2.gz PIJIOFJQPXOMDD-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028464879 812733584 /nfs/dbraw/zinc/73/35/84/812733584.db2.gz GRQQCCNIZXPSTQ-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028464879 812733590 /nfs/dbraw/zinc/73/35/90/812733590.db2.gz GRQQCCNIZXPSTQ-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028464879 812733598 /nfs/dbraw/zinc/73/35/98/812733598.db2.gz GRQQCCNIZXPSTQ-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028464879 812733606 /nfs/dbraw/zinc/73/36/06/812733606.db2.gz GRQQCCNIZXPSTQ-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC#C)C1 ZINC001028601159 812955723 /nfs/dbraw/zinc/95/57/23/812955723.db2.gz KGRHFEOZJFVXNP-GJZGRUSLSA-N 2 1 273.380 0.155 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC#C)C1 ZINC001028601159 812955728 /nfs/dbraw/zinc/95/57/28/812955728.db2.gz KGRHFEOZJFVXNP-GJZGRUSLSA-N 2 1 273.380 0.155 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001028601159 812955734 /nfs/dbraw/zinc/95/57/34/812955734.db2.gz KGRHFEOZJFVXNP-GJZGRUSLSA-N 2 1 273.380 0.155 20 30 CCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001028601159 812955738 /nfs/dbraw/zinc/95/57/38/812955738.db2.gz KGRHFEOZJFVXNP-GJZGRUSLSA-N 2 1 273.380 0.155 20 30 CCEDMP C=CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268736690 813053273 /nfs/dbraw/zinc/05/32/73/813053273.db2.gz SJSISXUUDPEEIB-AWEZNQCLSA-N 2 1 297.443 0.967 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001028638265 813087221 /nfs/dbraw/zinc/08/72/21/813087221.db2.gz FEZINKALTUJWJM-KGLIPLIRSA-N 2 1 286.379 0.517 20 30 CCEDMP C#CC[NH2+]C[C@@H](NC(=O)CC[N@H+](C)CC)C1CC1 ZINC001269134970 813233317 /nfs/dbraw/zinc/23/33/17/813233317.db2.gz FTILDZJFCGMQSB-CYBMUJFWSA-N 2 1 251.374 0.446 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001269393685 813355048 /nfs/dbraw/zinc/35/50/48/813355048.db2.gz JLHAAECCYLKVRE-KGLIPLIRSA-N 2 1 295.427 0.910 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001269393685 813355056 /nfs/dbraw/zinc/35/50/56/813355056.db2.gz JLHAAECCYLKVRE-KGLIPLIRSA-N 2 1 295.427 0.910 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028931910 813671244 /nfs/dbraw/zinc/67/12/44/813671244.db2.gz ZIQXTJYILQPVCX-AWEZNQCLSA-N 2 1 275.396 0.544 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001271057165 814132642 /nfs/dbraw/zinc/13/26/42/814132642.db2.gz UGBUCDZAFRZXBU-CQSZACIVSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993035 814306192 /nfs/dbraw/zinc/30/61/92/814306192.db2.gz XAGUTPGYTHVFCE-OWCLPIDISA-N 2 1 289.423 0.740 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001271210747 814334889 /nfs/dbraw/zinc/33/48/89/814334889.db2.gz SVWGNPZEIGQPAE-GOEBONIOSA-N 2 1 297.443 0.702 20 30 CCEDMP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001271538596 814472363 /nfs/dbraw/zinc/47/23/63/814472363.db2.gz ACXZKUSTMDORIK-CABCVRRESA-N 2 1 293.411 0.169 20 30 CCEDMP C#CC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001168154658 814758057 /nfs/dbraw/zinc/75/80/57/814758057.db2.gz XKYDHTURVPDELG-UHFFFAOYSA-N 2 1 274.368 0.701 20 30 CCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001168239269 814918068 /nfs/dbraw/zinc/91/80/68/814918068.db2.gz BQVZLSWRHVTYEC-AWEZNQCLSA-N 2 1 295.427 0.769 20 30 CCEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168239269 814918073 /nfs/dbraw/zinc/91/80/73/814918073.db2.gz BQVZLSWRHVTYEC-AWEZNQCLSA-N 2 1 295.427 0.769 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088572165 814923650 /nfs/dbraw/zinc/92/36/50/814923650.db2.gz ZSOKKMLUYIABTD-BMFZPTHFSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571764 814924035 /nfs/dbraw/zinc/92/40/35/814924035.db2.gz MPGZMRZBVUHTBU-KBMXLJTQSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031801831 817376767 /nfs/dbraw/zinc/37/67/67/817376767.db2.gz KGVZEPHHMWMJMR-OAHLLOKOSA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031801831 817376777 /nfs/dbraw/zinc/37/67/77/817376777.db2.gz KGVZEPHHMWMJMR-OAHLLOKOSA-N 2 1 277.412 0.788 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127638819 817410083 /nfs/dbraw/zinc/41/00/83/817410083.db2.gz RFLGAWFFXPDSCB-CHWSQXEVSA-N 2 1 269.389 0.235 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001077571046 817438788 /nfs/dbraw/zinc/43/87/88/817438788.db2.gz GRUZYDSRLBDJTM-BYNSBNAKSA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077571046 817438793 /nfs/dbraw/zinc/43/87/93/817438793.db2.gz GRUZYDSRLBDJTM-BYNSBNAKSA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077571046 817438799 /nfs/dbraw/zinc/43/87/99/817438799.db2.gz GRUZYDSRLBDJTM-BYNSBNAKSA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)CN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778344 817573640 /nfs/dbraw/zinc/57/36/40/817573640.db2.gz JIZISWZBRYLDLY-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778344 817573647 /nfs/dbraw/zinc/57/36/47/817573647.db2.gz JIZISWZBRYLDLY-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778344 817573651 /nfs/dbraw/zinc/57/36/51/817573651.db2.gz JIZISWZBRYLDLY-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778344 817573664 /nfs/dbraw/zinc/57/36/64/817573664.db2.gz JIZISWZBRYLDLY-MCIONIFRSA-N 2 1 281.400 0.208 20 30 CCEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001124872962 817607738 /nfs/dbraw/zinc/60/77/38/817607738.db2.gz PXQJHXLFUNRNNA-HNNXBMFYSA-N 2 1 286.379 0.858 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032945618 818381210 /nfs/dbraw/zinc/38/12/10/818381210.db2.gz PVSFUHAOQGKXOC-CHWSQXEVSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032945618 818381216 /nfs/dbraw/zinc/38/12/16/818381216.db2.gz PVSFUHAOQGKXOC-CHWSQXEVSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032945618 818381223 /nfs/dbraw/zinc/38/12/23/818381223.db2.gz PVSFUHAOQGKXOC-CHWSQXEVSA-N 2 1 251.374 0.799 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033186736 818633846 /nfs/dbraw/zinc/63/38/46/818633846.db2.gz YXACOJILIGMCCU-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033186736 818633854 /nfs/dbraw/zinc/63/38/54/818633854.db2.gz YXACOJILIGMCCU-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033186736 818633857 /nfs/dbraw/zinc/63/38/57/818633857.db2.gz YXACOJILIGMCCU-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033186736 818633863 /nfs/dbraw/zinc/63/38/63/818633863.db2.gz YXACOJILIGMCCU-RBSFLKMASA-N 2 1 295.427 0.814 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033194902 818637114 /nfs/dbraw/zinc/63/71/14/818637114.db2.gz DWYBBYDJWFTJCR-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033194902 818637119 /nfs/dbraw/zinc/63/71/19/818637119.db2.gz DWYBBYDJWFTJCR-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033194902 818637125 /nfs/dbraw/zinc/63/71/25/818637125.db2.gz DWYBBYDJWFTJCR-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033194902 818637134 /nfs/dbraw/zinc/63/71/34/818637134.db2.gz DWYBBYDJWFTJCR-RBSFLKMASA-N 2 1 293.411 0.262 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357599 818739344 /nfs/dbraw/zinc/73/93/44/818739344.db2.gz INZNSZYOGOKBPJ-CABCVRRESA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357599 818739348 /nfs/dbraw/zinc/73/93/48/818739348.db2.gz INZNSZYOGOKBPJ-CABCVRRESA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357599 818739354 /nfs/dbraw/zinc/73/93/54/818739354.db2.gz INZNSZYOGOKBPJ-CABCVRRESA-N 2 1 295.427 0.814 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357599 818739358 /nfs/dbraw/zinc/73/93/58/818739358.db2.gz INZNSZYOGOKBPJ-CABCVRRESA-N 2 1 295.427 0.814 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001033673626 818879378 /nfs/dbraw/zinc/87/93/78/818879378.db2.gz FOEIGIGOURDZNR-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001033673626 818879381 /nfs/dbraw/zinc/87/93/81/818879381.db2.gz FOEIGIGOURDZNR-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033673626 818879386 /nfs/dbraw/zinc/87/93/86/818879386.db2.gz FOEIGIGOURDZNR-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033673626 818879389 /nfs/dbraw/zinc/87/93/89/818879389.db2.gz FOEIGIGOURDZNR-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033875705 818973088 /nfs/dbraw/zinc/97/30/88/818973088.db2.gz YTPOXNAOADTWED-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033875705 818973098 /nfs/dbraw/zinc/97/30/98/818973098.db2.gz YTPOXNAOADTWED-QLFBSQMISA-N 2 1 293.411 0.262 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182427 820088947 /nfs/dbraw/zinc/08/89/47/820088947.db2.gz HVOCMWXXLINQGQ-HNNXBMFYSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182427 820088956 /nfs/dbraw/zinc/08/89/56/820088956.db2.gz HVOCMWXXLINQGQ-HNNXBMFYSA-N 2 1 281.400 0.169 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066446 820893744 /nfs/dbraw/zinc/89/37/44/820893744.db2.gz RRRRUYZVNZWGEX-BYNSBNAKSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066446 820893756 /nfs/dbraw/zinc/89/37/56/820893756.db2.gz RRRRUYZVNZWGEX-BYNSBNAKSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066446 820893767 /nfs/dbraw/zinc/89/37/67/820893767.db2.gz RRRRUYZVNZWGEX-BYNSBNAKSA-N 2 1 295.427 0.718 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066446 820893776 /nfs/dbraw/zinc/89/37/76/820893776.db2.gz RRRRUYZVNZWGEX-BYNSBNAKSA-N 2 1 295.427 0.718 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326648 820939415 /nfs/dbraw/zinc/93/94/15/820939415.db2.gz LXNREXWSVCEKRH-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326648 820939416 /nfs/dbraw/zinc/93/94/16/820939416.db2.gz LXNREXWSVCEKRH-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326648 820939418 /nfs/dbraw/zinc/93/94/18/820939418.db2.gz LXNREXWSVCEKRH-RBSFLKMASA-N 2 1 295.427 0.720 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369055 820947218 /nfs/dbraw/zinc/94/72/18/820947218.db2.gz WREUDCVQYFVCCW-BFHYXJOUSA-N 2 1 281.400 0.330 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082369055 820947224 /nfs/dbraw/zinc/94/72/24/820947224.db2.gz WREUDCVQYFVCCW-BFHYXJOUSA-N 2 1 281.400 0.330 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082369055 820947231 /nfs/dbraw/zinc/94/72/31/820947231.db2.gz WREUDCVQYFVCCW-BFHYXJOUSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369906 820948506 /nfs/dbraw/zinc/94/85/06/820948506.db2.gz IXVDGYJBGWBDIP-BFHYXJOUSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082369906 820948509 /nfs/dbraw/zinc/94/85/09/820948509.db2.gz IXVDGYJBGWBDIP-BFHYXJOUSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082369906 820948517 /nfs/dbraw/zinc/94/85/17/820948517.db2.gz IXVDGYJBGWBDIP-BFHYXJOUSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082859849 821047301 /nfs/dbraw/zinc/04/73/01/821047301.db2.gz JFHWEJSSDYXTEZ-MGPQQGTHSA-N 2 1 265.401 0.951 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083955052 821166890 /nfs/dbraw/zinc/16/68/90/821166890.db2.gz UWSVPFBJNUKGOU-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955052 821166895 /nfs/dbraw/zinc/16/68/95/821166895.db2.gz UWSVPFBJNUKGOU-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955052 821166899 /nfs/dbraw/zinc/16/68/99/821166899.db2.gz UWSVPFBJNUKGOU-MJBXVCDLSA-N 2 1 281.400 0.066 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084232119 821246740 /nfs/dbraw/zinc/24/67/40/821246740.db2.gz UIGUUYMYUVIYAZ-QLFBSQMISA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084232119 821246747 /nfs/dbraw/zinc/24/67/47/821246747.db2.gz UIGUUYMYUVIYAZ-QLFBSQMISA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084232119 821246756 /nfs/dbraw/zinc/24/67/56/821246756.db2.gz UIGUUYMYUVIYAZ-QLFBSQMISA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084232119 821246763 /nfs/dbraw/zinc/24/67/63/821246763.db2.gz UIGUUYMYUVIYAZ-QLFBSQMISA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[NH2+]CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166686644 821289381 /nfs/dbraw/zinc/28/93/81/821289381.db2.gz AFXVSTGYEWVOAX-HNNXBMFYSA-N 2 1 283.391 0.928 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406512 821289425 /nfs/dbraw/zinc/28/94/25/821289425.db2.gz QRIFOVNXWUORPF-RBSFLKMASA-N 2 1 275.396 0.493 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406512 821289430 /nfs/dbraw/zinc/28/94/30/821289430.db2.gz QRIFOVNXWUORPF-RBSFLKMASA-N 2 1 275.396 0.493 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001273301463 821576743 /nfs/dbraw/zinc/57/67/43/821576743.db2.gz UQJHCGWAQAWKSU-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531151 821773247 /nfs/dbraw/zinc/77/32/47/821773247.db2.gz NAJDNTQCQUWIES-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531151 821773253 /nfs/dbraw/zinc/77/32/53/821773253.db2.gz NAJDNTQCQUWIES-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531151 821773262 /nfs/dbraw/zinc/77/32/62/821773262.db2.gz NAJDNTQCQUWIES-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531151 821773270 /nfs/dbraw/zinc/77/32/70/821773270.db2.gz NAJDNTQCQUWIES-LSDHHAIUSA-N 2 1 295.427 0.816 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086277037 822185640 /nfs/dbraw/zinc/18/56/40/822185640.db2.gz PFCJRSSCXZNZJY-ZNMIVQPWSA-N 2 1 295.427 0.768 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086277037 822185643 /nfs/dbraw/zinc/18/56/43/822185643.db2.gz PFCJRSSCXZNZJY-ZNMIVQPWSA-N 2 1 295.427 0.768 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129418921 837504352 /nfs/dbraw/zinc/50/43/52/837504352.db2.gz YFGACLKZDMHFEN-ZDUSSCGKSA-N 2 1 290.367 0.116 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129531646 837522793 /nfs/dbraw/zinc/52/27/93/837522793.db2.gz DASSQGXOLZULAM-UHFFFAOYSA-N 2 1 269.389 0.379 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090436382 836780848 /nfs/dbraw/zinc/78/08/48/836780848.db2.gz QDDDSIPDDJZVEI-GJZGRUSLSA-N 2 1 298.346 0.133 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130709156 837898749 /nfs/dbraw/zinc/89/87/49/837898749.db2.gz VTMFMOHHOLYOSY-AWEZNQCLSA-N 2 1 265.401 0.836 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521892 838120389 /nfs/dbraw/zinc/12/03/89/838120389.db2.gz KVDMWFZQTRGBPA-OWYJLGKBSA-N 2 1 279.384 0.132 20 30 CCEDMP C=CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848712 838506000 /nfs/dbraw/zinc/50/60/00/838506000.db2.gz PMBZHDCTXZOGGU-ZDUSSCGKSA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133831744 838731279 /nfs/dbraw/zinc/73/12/79/838731279.db2.gz UNIBVIIFQQGSQG-NSHDSACASA-N 2 1 259.781 0.929 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133890267 838767157 /nfs/dbraw/zinc/76/71/57/838767157.db2.gz MYJYPGRUFXYQBL-UHFFFAOYSA-N 2 1 290.367 0.613 20 30 CCEDMP C#CC[NH2+]CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001133918087 838780596 /nfs/dbraw/zinc/78/05/96/838780596.db2.gz ONFFZSFGRZNGEF-UHFFFAOYSA-N 2 1 273.380 0.500 20 30 CCEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135030018 839141655 /nfs/dbraw/zinc/14/16/55/839141655.db2.gz WISLHVDELQDZPH-VXGBXAGGSA-N 2 1 262.357 0.698 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135096023 839159533 /nfs/dbraw/zinc/15/95/33/839159533.db2.gz ZAVKAYTXHDGZLG-GJZGRUSLSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001148646525 840862184 /nfs/dbraw/zinc/86/21/84/840862184.db2.gz AHBREOSROLCTQA-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001148646525 840862193 /nfs/dbraw/zinc/86/21/93/840862193.db2.gz AHBREOSROLCTQA-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001148646525 840862201 /nfs/dbraw/zinc/86/22/01/840862201.db2.gz AHBREOSROLCTQA-UHFFFAOYSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092507892 841028790 /nfs/dbraw/zinc/02/87/90/841028790.db2.gz OJHNVWVSRXSBSB-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092507892 841028805 /nfs/dbraw/zinc/02/88/05/841028805.db2.gz OJHNVWVSRXSBSB-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092507892 841028818 /nfs/dbraw/zinc/02/88/18/841028818.db2.gz OJHNVWVSRXSBSB-RBSFLKMASA-N 2 1 277.412 0.788 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3ccnc3)CC[C@H]21 ZINC001036786309 841217910 /nfs/dbraw/zinc/21/79/10/841217910.db2.gz SQTIWKXMHGGCIW-HUUCEWRRSA-N 2 1 286.379 0.829 20 30 CCEDMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[NH3+])C[C@H]1C#N ZINC001172966115 841990975 /nfs/dbraw/zinc/99/09/75/841990975.db2.gz MKARIALUDOVXNF-SRVKXCTJSA-N 2 1 298.387 0.187 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001150620572 842405151 /nfs/dbraw/zinc/40/51/51/842405151.db2.gz SKFZJNAINPYZER-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001150620572 842405153 /nfs/dbraw/zinc/40/51/53/842405153.db2.gz SKFZJNAINPYZER-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150620572 842405157 /nfs/dbraw/zinc/40/51/57/842405157.db2.gz SKFZJNAINPYZER-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150620572 842405162 /nfs/dbraw/zinc/40/51/62/842405162.db2.gz SKFZJNAINPYZER-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731172 842912850 /nfs/dbraw/zinc/91/28/50/842912850.db2.gz NRNIJBFFOYYNSF-BARDWOONSA-N 2 1 277.412 0.929 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181652143 843566739 /nfs/dbraw/zinc/56/67/39/843566739.db2.gz JYLMZRHVBKLPGK-KGLIPLIRSA-N 2 1 281.400 0.474 20 30 CCEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106267 844645848 /nfs/dbraw/zinc/64/58/48/844645848.db2.gz DDEOSCZHTOTHMQ-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187825244 844789586 /nfs/dbraw/zinc/78/95/86/844789586.db2.gz HDUCHGXTJWIKJY-ZIAGYGMSSA-N 2 1 281.400 0.331 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970817 845012749 /nfs/dbraw/zinc/01/27/49/845012749.db2.gz MIJXWIXAHBRHIZ-LSDHHAIUSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189669154 845183796 /nfs/dbraw/zinc/18/37/96/845183796.db2.gz RLFMOMLFNQQNDA-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189669154 845183798 /nfs/dbraw/zinc/18/37/98/845183798.db2.gz RLFMOMLFNQQNDA-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189669154 845183805 /nfs/dbraw/zinc/18/38/05/845183805.db2.gz RLFMOMLFNQQNDA-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCF)C1 ZINC001190724228 845477139 /nfs/dbraw/zinc/47/71/39/845477139.db2.gz LBSVOWPDGPMHPJ-CABCVRRESA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCF)C1 ZINC001190724228 845477147 /nfs/dbraw/zinc/47/71/47/845477147.db2.gz LBSVOWPDGPMHPJ-CABCVRRESA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCF)C1 ZINC001190724228 845477156 /nfs/dbraw/zinc/47/71/56/845477156.db2.gz LBSVOWPDGPMHPJ-CABCVRRESA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCF)C1 ZINC001190724228 845477165 /nfs/dbraw/zinc/47/71/65/845477165.db2.gz LBSVOWPDGPMHPJ-CABCVRRESA-N 2 1 295.402 0.976 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCF)C1 ZINC001190724228 845477172 /nfs/dbraw/zinc/47/71/72/845477172.db2.gz LBSVOWPDGPMHPJ-CABCVRRESA-N 2 1 295.402 0.976 20 30 CCEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001192355218 845828173 /nfs/dbraw/zinc/82/81/73/845828173.db2.gz PROZHWRHPKEXRW-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192355218 845828179 /nfs/dbraw/zinc/82/81/79/845828179.db2.gz PROZHWRHPKEXRW-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192355218 845828189 /nfs/dbraw/zinc/82/81/89/845828189.db2.gz PROZHWRHPKEXRW-LSDHHAIUSA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194040760 846203934 /nfs/dbraw/zinc/20/39/34/846203934.db2.gz SGBMPVZMNRDASG-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194040760 846203939 /nfs/dbraw/zinc/20/39/39/846203939.db2.gz SGBMPVZMNRDASG-AWEZNQCLSA-N 2 1 274.368 0.748 20 30 CCEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194292728 846267886 /nfs/dbraw/zinc/26/78/86/846267886.db2.gz BWKVGHKQWSRIBN-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194292728 846267893 /nfs/dbraw/zinc/26/78/93/846267893.db2.gz BWKVGHKQWSRIBN-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194292728 846267901 /nfs/dbraw/zinc/26/79/01/846267901.db2.gz BWKVGHKQWSRIBN-AWEZNQCLSA-N 2 1 265.401 0.883 20 30 CCEDMP CCN(CC[NH2+]CC#CCOC)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001273710444 846661584 /nfs/dbraw/zinc/66/15/84/846661584.db2.gz VFTQCYYBXDTPTF-OAHLLOKOSA-N 2 1 295.427 0.416 20 30 CCEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199788275 847433594 /nfs/dbraw/zinc/43/35/94/847433594.db2.gz NVVFRSHXYXZEQN-CQSZACIVSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199942988 847476270 /nfs/dbraw/zinc/47/62/70/847476270.db2.gz CVZPXYLDJCOEAU-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199942988 847476271 /nfs/dbraw/zinc/47/62/71/847476271.db2.gz CVZPXYLDJCOEAU-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059477 847851202 /nfs/dbraw/zinc/85/12/02/847851202.db2.gz PWTVOPBPSNZABY-KGLIPLIRSA-N 2 1 281.400 0.331 20 30 CCEDMP C#CCC[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001202496526 847984340 /nfs/dbraw/zinc/98/43/40/847984340.db2.gz USHVQFNLUPMWOF-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001114426538 848056877 /nfs/dbraw/zinc/05/68/77/848056877.db2.gz OQUSNECTMNGXBU-LJIGWXMPSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114426538 848056886 /nfs/dbraw/zinc/05/68/86/848056886.db2.gz OQUSNECTMNGXBU-LJIGWXMPSA-N 2 1 289.423 0.931 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114426538 848056892 /nfs/dbraw/zinc/05/68/92/848056892.db2.gz OQUSNECTMNGXBU-LJIGWXMPSA-N 2 1 289.423 0.931 20 30 CCEDMP CC#CC[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001275324101 848691007 /nfs/dbraw/zinc/69/10/07/848691007.db2.gz RCUQMZIDBCDGNH-UHFFFAOYSA-N 2 1 274.368 0.699 20 30 CCEDMP C#CCCC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001275978147 848880535 /nfs/dbraw/zinc/88/05/35/848880535.db2.gz KIRQJMUYPRVICA-GJZGRUSLSA-N 2 1 265.401 0.346 20 30 CCEDMP COCC#CC[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001276003873 848888050 /nfs/dbraw/zinc/88/80/50/848888050.db2.gz VCFPTQAMHKBKHK-CYBMUJFWSA-N 2 1 292.383 0.278 20 30 CCEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001276003873 848888053 /nfs/dbraw/zinc/88/80/53/848888053.db2.gz VCFPTQAMHKBKHK-CYBMUJFWSA-N 2 1 292.383 0.278 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111036050 849051025 /nfs/dbraw/zinc/05/10/25/849051025.db2.gz RKSRXLFMAMQTTF-MQYQWHSLSA-N 2 1 263.385 0.681 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111036050 849051027 /nfs/dbraw/zinc/05/10/27/849051027.db2.gz RKSRXLFMAMQTTF-MQYQWHSLSA-N 2 1 263.385 0.681 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C(C)C)CC1 ZINC001039042019 850135399 /nfs/dbraw/zinc/13/53/99/850135399.db2.gz LEIGOBQVNCZUHH-OAHLLOKOSA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001043879179 850953724 /nfs/dbraw/zinc/95/37/24/850953724.db2.gz DNSVYHFEJLKOPI-GXTWGEPZSA-N 2 1 265.401 0.903 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043879179 850953727 /nfs/dbraw/zinc/95/37/27/850953727.db2.gz DNSVYHFEJLKOPI-GXTWGEPZSA-N 2 1 265.401 0.903 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001096012584 851219935 /nfs/dbraw/zinc/21/99/35/851219935.db2.gz RUVIXAQWOQSJRD-XGUBFFRZSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001096012584 851219945 /nfs/dbraw/zinc/21/99/45/851219945.db2.gz RUVIXAQWOQSJRD-XGUBFFRZSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001096012584 851219955 /nfs/dbraw/zinc/21/99/55/851219955.db2.gz RUVIXAQWOQSJRD-XGUBFFRZSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001096012584 851219965 /nfs/dbraw/zinc/21/99/65/851219965.db2.gz RUVIXAQWOQSJRD-XGUBFFRZSA-N 2 1 275.396 0.825 20 30 CCEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049213414 852193767 /nfs/dbraw/zinc/19/37/67/852193767.db2.gz PGLJVVYHDNPSOG-MELADBBJSA-N 2 1 263.385 0.514 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213414 852193772 /nfs/dbraw/zinc/19/37/72/852193772.db2.gz PGLJVVYHDNPSOG-MELADBBJSA-N 2 1 263.385 0.514 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049213414 852193776 /nfs/dbraw/zinc/19/37/76/852193776.db2.gz PGLJVVYHDNPSOG-MELADBBJSA-N 2 1 263.385 0.514 20 30 CCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001096538273 852294293 /nfs/dbraw/zinc/29/42/93/852294293.db2.gz DEAIBDWAURDKLW-XGUBFFRZSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001096538273 852294299 /nfs/dbraw/zinc/29/42/99/852294299.db2.gz DEAIBDWAURDKLW-XGUBFFRZSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001096538273 852294305 /nfs/dbraw/zinc/29/43/05/852294305.db2.gz DEAIBDWAURDKLW-XGUBFFRZSA-N 2 1 275.396 0.683 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847614 852385307 /nfs/dbraw/zinc/38/53/07/852385307.db2.gz YBPYOHZLUKMEJO-GJZGRUSLSA-N 2 1 287.407 0.781 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001053755755 852807337 /nfs/dbraw/zinc/80/73/37/852807337.db2.gz JWNKYLTYJUXUEN-UONOGXRCSA-N 2 1 293.411 0.616 20 30 CCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001053755755 852807342 /nfs/dbraw/zinc/80/73/42/852807342.db2.gz JWNKYLTYJUXUEN-UONOGXRCSA-N 2 1 293.411 0.616 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050662520 853410236 /nfs/dbraw/zinc/41/02/36/853410236.db2.gz JKLZMKYPFDPDGH-HNNXBMFYSA-N 2 1 289.423 0.886 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052275483 853720156 /nfs/dbraw/zinc/72/01/56/853720156.db2.gz MMMAYPLMHYUTMH-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052275483 853720158 /nfs/dbraw/zinc/72/01/58/853720158.db2.gz MMMAYPLMHYUTMH-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052275483 853720164 /nfs/dbraw/zinc/72/01/64/853720164.db2.gz MMMAYPLMHYUTMH-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052275483 853720170 /nfs/dbraw/zinc/72/01/70/853720170.db2.gz MMMAYPLMHYUTMH-HUUCEWRRSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052276173 853723379 /nfs/dbraw/zinc/72/33/79/853723379.db2.gz YMVSCFGPXJBMPP-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052276173 853723382 /nfs/dbraw/zinc/72/33/82/853723382.db2.gz YMVSCFGPXJBMPP-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276173 853723385 /nfs/dbraw/zinc/72/33/85/853723385.db2.gz YMVSCFGPXJBMPP-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052276173 853723388 /nfs/dbraw/zinc/72/33/88/853723388.db2.gz YMVSCFGPXJBMPP-UONOGXRCSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071994292 854332672 /nfs/dbraw/zinc/33/26/72/854332672.db2.gz DVIMTPRPGHERRF-KGLIPLIRSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071994292 854332681 /nfs/dbraw/zinc/33/26/81/854332681.db2.gz DVIMTPRPGHERRF-KGLIPLIRSA-N 2 1 275.396 0.685 20 30 CCEDMP COCC#CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101039718 855256678 /nfs/dbraw/zinc/25/66/78/855256678.db2.gz ZUILCUURTJUBBF-UHFFFAOYSA-N 2 1 295.427 0.461 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352915 855284004 /nfs/dbraw/zinc/28/40/04/855284004.db2.gz OUPIMTHKTYBUAH-ZBFHGGJFSA-N 2 1 277.412 0.742 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938079 855606965 /nfs/dbraw/zinc/60/69/65/855606965.db2.gz KIHJSFSRNCJNQO-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292785 855658710 /nfs/dbraw/zinc/65/87/10/855658710.db2.gz VIMXIBGLEHEUFG-QLPKVWCKSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001115303618 855660573 /nfs/dbraw/zinc/66/05/73/855660573.db2.gz HBDRKWRVJUPHQC-HZMVEIRTSA-N 2 1 297.402 0.969 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001115303618 855660574 /nfs/dbraw/zinc/66/05/74/855660574.db2.gz HBDRKWRVJUPHQC-HZMVEIRTSA-N 2 1 297.402 0.969 20 30 CCEDMP C#CCN(C[C@@H](O)C[N@@H+](C)CCOC)CC1CC1 ZINC001118304392 856250219 /nfs/dbraw/zinc/25/02/19/856250219.db2.gz GROFGXXTEDCVSU-AWEZNQCLSA-N 2 1 254.374 0.271 20 30 CCEDMP C#CCN(C[C@@H](O)C[N@H+](C)CCOC)CC1CC1 ZINC001118304392 856250226 /nfs/dbraw/zinc/25/02/26/856250226.db2.gz GROFGXXTEDCVSU-AWEZNQCLSA-N 2 1 254.374 0.271 20 30 CCEDMP C#CCN1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2CC)C1 ZINC001119304186 856624614 /nfs/dbraw/zinc/62/46/14/856624614.db2.gz IVDSUEGFAGPNKR-UONOGXRCSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+]2CC)C1 ZINC001119304186 856624619 /nfs/dbraw/zinc/62/46/19/856624619.db2.gz IVDSUEGFAGPNKR-UONOGXRCSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2CC)C1 ZINC001119304186 856624623 /nfs/dbraw/zinc/62/46/23/856624623.db2.gz IVDSUEGFAGPNKR-UONOGXRCSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+]2CC)C1 ZINC001119304186 856624633 /nfs/dbraw/zinc/62/46/33/856624633.db2.gz IVDSUEGFAGPNKR-UONOGXRCSA-N 2 1 278.400 0.477 20 30 CCEDMP COCC#CCN1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001323358052 912292130 /nfs/dbraw/zinc/29/21/30/912292130.db2.gz RAJSOIXASTZDJK-CQSZACIVSA-N 2 1 290.367 0.032 20 30 CCEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001323445134 912351627 /nfs/dbraw/zinc/35/16/27/912351627.db2.gz YJWNFUFTDWAJQY-VXGBXAGGSA-N 2 1 251.374 0.751 20 30 CCEDMP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001325864036 913616649 /nfs/dbraw/zinc/61/66/49/913616649.db2.gz CABUWBGPLFLFED-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)CCC)C1 ZINC001325864036 913616657 /nfs/dbraw/zinc/61/66/57/913616657.db2.gz CABUWBGPLFLFED-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+](C)CCC)C1 ZINC001325864036 913616662 /nfs/dbraw/zinc/61/66/62/913616662.db2.gz CABUWBGPLFLFED-MRXNPFEDSA-N 2 1 297.443 0.847 20 30 CCEDMP C=CC[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480975892 892004684 /nfs/dbraw/zinc/00/46/84/892004684.db2.gz LSGPHEVABAXFOA-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CC[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480975892 892004700 /nfs/dbraw/zinc/00/47/00/892004700.db2.gz LSGPHEVABAXFOA-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CC[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480975892 892004711 /nfs/dbraw/zinc/00/47/11/892004711.db2.gz LSGPHEVABAXFOA-CHWSQXEVSA-N 2 1 253.390 0.951 20 30 CCEDMP C#CCC[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001481016143 892055998 /nfs/dbraw/zinc/05/59/98/892055998.db2.gz CRAUAGGFBLIEMY-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481016143 892056016 /nfs/dbraw/zinc/05/60/16/892056016.db2.gz CRAUAGGFBLIEMY-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481016143 892056031 /nfs/dbraw/zinc/05/60/31/892056031.db2.gz CRAUAGGFBLIEMY-CYBMUJFWSA-N 2 1 251.374 0.400 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481528054 892773274 /nfs/dbraw/zinc/77/32/74/892773274.db2.gz FLBROWKRRVAYOO-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481528054 892773282 /nfs/dbraw/zinc/77/32/82/892773282.db2.gz FLBROWKRRVAYOO-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482141391 893433210 /nfs/dbraw/zinc/43/32/10/893433210.db2.gz CLENOBOJCNVBNO-KGLIPLIRSA-N 2 1 265.401 0.693 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001482171312 893453983 /nfs/dbraw/zinc/45/39/83/893453983.db2.gz DUIYUJVRIPXETM-KBPBESRZSA-N 2 1 283.416 0.625 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001482171312 893454018 /nfs/dbraw/zinc/45/40/18/893454018.db2.gz DUIYUJVRIPXETM-KBPBESRZSA-N 2 1 283.416 0.625 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001284515221 893597457 /nfs/dbraw/zinc/59/74/57/893597457.db2.gz BFRLEHQLSHLDHY-LSDHHAIUSA-N 2 1 295.427 0.103 20 30 CCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001284515221 893597466 /nfs/dbraw/zinc/59/74/66/893597466.db2.gz BFRLEHQLSHLDHY-LSDHHAIUSA-N 2 1 295.427 0.103 20 30 CCEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001284515221 893597474 /nfs/dbraw/zinc/59/74/74/893597474.db2.gz BFRLEHQLSHLDHY-LSDHHAIUSA-N 2 1 295.427 0.103 20 30 CCEDMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001482342666 893893604 /nfs/dbraw/zinc/89/36/04/893893604.db2.gz MHUDVGJAEPKZQQ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001482737645 894555796 /nfs/dbraw/zinc/55/57/96/894555796.db2.gz QVRYJHWRBWJLAJ-ZDUSSCGKSA-N 2 1 269.389 0.114 20 30 CCEDMP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001482970260 894737615 /nfs/dbraw/zinc/73/76/15/894737615.db2.gz QNQPBXOHFRKHKH-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506748396 894889577 /nfs/dbraw/zinc/88/95/77/894889577.db2.gz KKSCCWSZXMDLSO-AWEZNQCLSA-N 2 1 297.443 0.967 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483177843 895062954 /nfs/dbraw/zinc/06/29/54/895062954.db2.gz BGLFKDADLAHTDQ-CYBMUJFWSA-N 2 1 297.362 0.999 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC001326399473 913932566 /nfs/dbraw/zinc/93/25/66/913932566.db2.gz AKNUKXXLALAUOG-UONOGXRCSA-N 2 1 287.367 0.576 20 30 CCEDMP C=CC[N@H+](C)C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001483339928 895478403 /nfs/dbraw/zinc/47/84/03/895478403.db2.gz VKFZJERUGWWLKL-ZDUSSCGKSA-N 2 1 293.415 0.681 20 30 CCEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001483383059 895521667 /nfs/dbraw/zinc/52/16/67/895521667.db2.gz DZTZUVQJCSQKOC-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483383059 895521677 /nfs/dbraw/zinc/52/16/77/895521677.db2.gz DZTZUVQJCSQKOC-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483383059 895521681 /nfs/dbraw/zinc/52/16/81/895521681.db2.gz DZTZUVQJCSQKOC-STQMWFEESA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001326508291 913992015 /nfs/dbraw/zinc/99/20/15/913992015.db2.gz RLCOKDBUFPCSBN-RBSFLKMASA-N 2 1 277.412 0.978 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485383439 897013569 /nfs/dbraw/zinc/01/35/69/897013569.db2.gz NDBRPEGMCCWYFP-AWEZNQCLSA-N 2 1 281.400 0.169 20 30 CCEDMP CC#CC[N@@H+](C)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001485764768 897231486 /nfs/dbraw/zinc/23/14/86/897231486.db2.gz CYKJPOWXXXYTOV-UHFFFAOYSA-N 2 1 274.368 0.898 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108022333 898145034 /nfs/dbraw/zinc/14/50/34/898145034.db2.gz HAJJSDUWXQZIPT-GDBMZVCRSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108022333 898145037 /nfs/dbraw/zinc/14/50/37/898145037.db2.gz HAJJSDUWXQZIPT-GDBMZVCRSA-N 2 1 295.427 0.557 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485875719 898482389 /nfs/dbraw/zinc/48/23/89/898482389.db2.gz BICKEEYBOSHBAY-BFHYXJOUSA-N 2 1 265.401 0.786 20 30 CCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC001486389554 898852664 /nfs/dbraw/zinc/85/26/64/898852664.db2.gz AUKDFOFMWIFGGD-ZIAGYGMSSA-N 2 1 295.427 0.461 20 30 CCEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC001486389554 898852674 /nfs/dbraw/zinc/85/26/74/898852674.db2.gz AUKDFOFMWIFGGD-ZIAGYGMSSA-N 2 1 295.427 0.461 20 30 CCEDMP C=CCCC[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001490172655 900555744 /nfs/dbraw/zinc/55/57/44/900555744.db2.gz UCQVKXVCWNOPSB-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001490172655 900555758 /nfs/dbraw/zinc/55/57/58/900555758.db2.gz UCQVKXVCWNOPSB-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001490172655 900555770 /nfs/dbraw/zinc/55/57/70/900555770.db2.gz UCQVKXVCWNOPSB-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001490172655 900555774 /nfs/dbraw/zinc/55/57/74/900555774.db2.gz UCQVKXVCWNOPSB-CQSZACIVSA-N 2 1 283.416 0.721 20 30 CCEDMP COCC#CC[N@@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001490245299 900575553 /nfs/dbraw/zinc/57/55/53/900575553.db2.gz PVZMVJNIKOLLIM-UHFFFAOYSA-N 2 1 295.427 0.416 20 30 CCEDMP C=CC[NH+]1CCN(CCCNC(=O)CC[NH+](C)C)CC1 ZINC001490475411 900635023 /nfs/dbraw/zinc/63/50/23/900635023.db2.gz UZDBQBMUGPLIPQ-UHFFFAOYSA-N 2 1 282.432 0.248 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001490570241 900667473 /nfs/dbraw/zinc/66/74/73/900667473.db2.gz VMKIPMSKGFKCHO-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001490570241 900667478 /nfs/dbraw/zinc/66/74/78/900667478.db2.gz VMKIPMSKGFKCHO-CHWSQXEVSA-N 2 1 251.374 0.540 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001490778932 900724570 /nfs/dbraw/zinc/72/45/70/900724570.db2.gz YHSSYXVRSGIIDY-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001491080214 903339442 /nfs/dbraw/zinc/33/94/42/903339442.db2.gz GMMKVFLNDZOHLF-QLFBSQMISA-N 2 1 295.427 0.910 20 30 CCEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001491080214 903339451 /nfs/dbraw/zinc/33/94/51/903339451.db2.gz GMMKVFLNDZOHLF-QLFBSQMISA-N 2 1 295.427 0.910 20 30 CCEDMP C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001280882986 903973642 /nfs/dbraw/zinc/97/36/42/903973642.db2.gz BLNSRRDFXGIGSI-CYBMUJFWSA-N 2 1 253.390 0.904 20 30 CCEDMP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001280882986 903973655 /nfs/dbraw/zinc/97/36/55/903973655.db2.gz BLNSRRDFXGIGSI-CYBMUJFWSA-N 2 1 253.390 0.904 20 30 CCEDMP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001280882986 903973669 /nfs/dbraw/zinc/97/36/69/903973669.db2.gz BLNSRRDFXGIGSI-CYBMUJFWSA-N 2 1 253.390 0.904 20 30 CCEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001281703681 904333201 /nfs/dbraw/zinc/33/32/01/904333201.db2.gz SFXMYMOMXVQWDH-QWHCGFSZSA-N 2 1 269.389 0.378 20 30 CCEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001281703681 904333213 /nfs/dbraw/zinc/33/32/13/904333213.db2.gz SFXMYMOMXVQWDH-QWHCGFSZSA-N 2 1 269.389 0.378 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001283926470 905086795 /nfs/dbraw/zinc/08/67/95/905086795.db2.gz IQBSMOFBRIDEKW-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001284448979 905299229 /nfs/dbraw/zinc/29/92/29/905299229.db2.gz XPNXVCWVXCNSKN-AWEZNQCLSA-N 2 1 297.443 0.397 20 30 CCEDMP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001284478216 905313974 /nfs/dbraw/zinc/31/39/74/905313974.db2.gz UDJCSWDIEOSHGR-ZDUSSCGKSA-N 2 1 271.405 0.312 20 30 CCEDMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC[N@H+]1C ZINC001337156349 921204463 /nfs/dbraw/zinc/20/44/63/921204463.db2.gz JSHULLFSHBFOCX-GHMKZFAXSA-N 2 1 292.383 0.585 20 30 CCEDMP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001492126932 907712775 /nfs/dbraw/zinc/71/27/75/907712775.db2.gz BZLXUIOXMRZTQP-CHWSQXEVSA-N 2 1 253.390 0.999 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001317536319 908635546 /nfs/dbraw/zinc/63/55/46/908635546.db2.gz YERZHYQUAATIGJ-OAHLLOKOSA-N 2 1 295.427 0.723 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001317536319 908635548 /nfs/dbraw/zinc/63/55/48/908635548.db2.gz YERZHYQUAATIGJ-OAHLLOKOSA-N 2 1 295.427 0.723 20 30 CCEDMP C=CCC[N@H+](CCCNC(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC001316914487 908841313 /nfs/dbraw/zinc/84/13/13/908841313.db2.gz WCRIDQQXFMASBV-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001316914487 908841337 /nfs/dbraw/zinc/84/13/37/908841337.db2.gz WCRIDQQXFMASBV-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001316914487 908841355 /nfs/dbraw/zinc/84/13/55/908841355.db2.gz WCRIDQQXFMASBV-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001316914487 908841370 /nfs/dbraw/zinc/84/13/70/908841370.db2.gz WCRIDQQXFMASBV-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001316914487 908841386 /nfs/dbraw/zinc/84/13/86/908841386.db2.gz WCRIDQQXFMASBV-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317145447 909012646 /nfs/dbraw/zinc/01/26/46/909012646.db2.gz AUJFQAJYWFSFSC-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317145447 909012652 /nfs/dbraw/zinc/01/26/52/909012652.db2.gz AUJFQAJYWFSFSC-HUUCEWRRSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317192192 909036695 /nfs/dbraw/zinc/03/66/95/909036695.db2.gz CRILIEUVJKFWMV-GJZGRUSLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001317243965 909084221 /nfs/dbraw/zinc/08/42/21/909084221.db2.gz DHQOSSAFTWKKDX-ZIAGYGMSSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCC[N@@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317491493 909260994 /nfs/dbraw/zinc/26/09/94/909260994.db2.gz YFLFNZUNRYDTSZ-UHFFFAOYSA-N 2 1 263.385 0.544 20 30 CCEDMP C#CC[N@@H+](CC)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001317488243 909261880 /nfs/dbraw/zinc/26/18/80/909261880.db2.gz DOYXDLPTFABRGP-UHFFFAOYSA-N 2 1 281.400 0.169 20 30 CCEDMP C#CC[NH2+]CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001317627651 909423027 /nfs/dbraw/zinc/42/30/27/909423027.db2.gz VMZLCOJIEUZSQI-CYBMUJFWSA-N 2 1 274.368 0.435 20 30 CCEDMP C=CCN1CCO[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001319330115 910081862 /nfs/dbraw/zinc/08/18/62/910081862.db2.gz NOWOMRGUUGDYRX-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001319329568 910103311 /nfs/dbraw/zinc/10/33/11/910103311.db2.gz CDHSVOLDUZRCOK-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001319329568 910103332 /nfs/dbraw/zinc/10/33/32/910103332.db2.gz CDHSVOLDUZRCOK-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001319329568 910103360 /nfs/dbraw/zinc/10/33/60/910103360.db2.gz CDHSVOLDUZRCOK-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001319329568 910103375 /nfs/dbraw/zinc/10/33/75/910103375.db2.gz CDHSVOLDUZRCOK-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001319621334 910231528 /nfs/dbraw/zinc/23/15/28/910231528.db2.gz WNNIPCBGFGKVOE-CVEARBPZSA-N 2 1 289.423 0.838 20 30 CCEDMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001319621334 910231544 /nfs/dbraw/zinc/23/15/44/910231544.db2.gz WNNIPCBGFGKVOE-CVEARBPZSA-N 2 1 289.423 0.838 20 30 CCEDMP C=CC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322238415 911722860 /nfs/dbraw/zinc/72/28/60/911722860.db2.gz UORQGVTYJDPMLO-LBPRGKRZSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CCC[NH2+]CC1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001328928065 915523472 /nfs/dbraw/zinc/52/34/72/915523472.db2.gz YPFMYPCXRKMUKT-UHFFFAOYSA-N 2 1 295.427 0.769 20 30 CCEDMP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001329903008 916268326 /nfs/dbraw/zinc/26/83/26/916268326.db2.gz ZSYMJRNTIZMNRX-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001329903008 916268345 /nfs/dbraw/zinc/26/83/45/916268345.db2.gz ZSYMJRNTIZMNRX-LSDHHAIUSA-N 2 1 295.427 0.605 20 30 CCEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001331505258 917378896 /nfs/dbraw/zinc/37/88/96/917378896.db2.gz UXCYVIJGWWLACR-LLVKDONJSA-N 2 1 250.346 0.814 20 30 CCEDMP C=CC[NH2+][C@H](CO)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001331741001 917566518 /nfs/dbraw/zinc/56/65/18/917566518.db2.gz SHWFJANJBMASAW-ZDUSSCGKSA-N 2 1 297.443 0.892 20 30 CCEDMP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001331842655 917657689 /nfs/dbraw/zinc/65/76/89/917657689.db2.gz QMWMYIRYTPCONB-STQMWFEESA-N 2 1 269.389 0.114 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC001332031867 917813221 /nfs/dbraw/zinc/81/32/21/917813221.db2.gz FZRNAXKJPALIFT-CQSZACIVSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC2C[NH+](C)C2)C1 ZINC001332031867 917813231 /nfs/dbraw/zinc/81/32/31/917813231.db2.gz FZRNAXKJPALIFT-CQSZACIVSA-N 2 1 278.400 0.287 20 30 CCEDMP C=CCCC[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492947856 919036222 /nfs/dbraw/zinc/03/62/22/919036222.db2.gz GNYQXCCAMXWVJF-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[N@H+](CC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492947856 919036236 /nfs/dbraw/zinc/03/62/36/919036236.db2.gz GNYQXCCAMXWVJF-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[NH+](CC)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001492947856 919036249 /nfs/dbraw/zinc/03/62/49/919036249.db2.gz GNYQXCCAMXWVJF-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CCCC[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001492947856 919036260 /nfs/dbraw/zinc/03/62/60/919036260.db2.gz GNYQXCCAMXWVJF-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC001335986131 920546105 /nfs/dbraw/zinc/54/61/05/920546105.db2.gz KCVUIBVYKXDSSY-IRXDYDNUSA-N 2 1 294.439 0.976 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC001340148500 921983101 /nfs/dbraw/zinc/98/31/01/921983101.db2.gz MKWIXGFFPFZAQL-CQSZACIVSA-N 2 1 287.363 0.391 20 30 CCEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)CC1CC1 ZINC001352890373 925665415 /nfs/dbraw/zinc/66/54/15/925665415.db2.gz RKTZGFBQLNPEIR-UHFFFAOYSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)CC1CC1 ZINC001352890373 925665409 /nfs/dbraw/zinc/66/54/09/925665409.db2.gz RKTZGFBQLNPEIR-UHFFFAOYSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[C@]1(C(=O)N2CCN(C)CC[N@@H+](C)CC2)CCC[NH2+]1 ZINC001358444427 926697330 /nfs/dbraw/zinc/69/73/30/926697330.db2.gz KQXNUMKWDIIIBT-MRXNPFEDSA-N 2 1 294.443 0.391 20 30 CCEDMP C=CC[C@]1(C(=O)N2CCN(C)CC[N@H+](C)CC2)CCC[NH2+]1 ZINC001358444427 926697339 /nfs/dbraw/zinc/69/73/39/926697339.db2.gz KQXNUMKWDIIIBT-MRXNPFEDSA-N 2 1 294.443 0.391 20 30 CCEDMP N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000600739845 362051650 /nfs/dbraw/zinc/05/16/50/362051650.db2.gz UREZIWSISLUGSH-KGLIPLIRSA-N 2 1 281.400 0.478 20 30 CCEDMP N#Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000570345738 358850197 /nfs/dbraw/zinc/85/01/97/358850197.db2.gz UPWUJWDZRIZUFH-UONOGXRCSA-N 2 1 270.336 0.302 20 30 CCEDMP N#Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000570345738 358850202 /nfs/dbraw/zinc/85/02/02/358850202.db2.gz UPWUJWDZRIZUFH-UONOGXRCSA-N 2 1 270.336 0.302 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NCc1cnccc1OC ZINC000297243213 200123552 /nfs/dbraw/zinc/12/35/52/200123552.db2.gz XSMYGYRVTGGIDF-UHFFFAOYSA-N 2 1 290.367 0.845 20 30 CCEDMP N#Cc1cnccc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000592470929 359848148 /nfs/dbraw/zinc/84/81/48/359848148.db2.gz VPSIBBCTENHBRI-ZDUSSCGKSA-N 2 1 287.367 0.240 20 30 CCEDMP N#Cc1cnccc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000592470929 359848152 /nfs/dbraw/zinc/84/81/52/359848152.db2.gz VPSIBBCTENHBRI-ZDUSSCGKSA-N 2 1 287.367 0.240 20 30 CCEDMP CC[N@@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C1CC1 ZINC000594435901 360304650 /nfs/dbraw/zinc/30/46/50/360304650.db2.gz AVPLTTCASJMPOB-CYBMUJFWSA-N 2 1 266.389 0.998 20 30 CCEDMP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594659600 360356167 /nfs/dbraw/zinc/35/61/67/360356167.db2.gz GMNGEGQKMOJNDI-STQMWFEESA-N 2 1 292.383 0.301 20 30 CCEDMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594659600 360356173 /nfs/dbraw/zinc/35/61/73/360356173.db2.gz GMNGEGQKMOJNDI-STQMWFEESA-N 2 1 292.383 0.301 20 30 CCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccnc(C#N)n1 ZINC000596362805 360885011 /nfs/dbraw/zinc/88/50/11/360885011.db2.gz OMOAKTDWHNQQIK-LBPRGKRZSA-N 2 1 276.388 0.454 20 30 CCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccnc(C#N)n1 ZINC000596362805 360885014 /nfs/dbraw/zinc/88/50/14/360885014.db2.gz OMOAKTDWHNQQIK-LBPRGKRZSA-N 2 1 276.388 0.454 20 30 CCEDMP C[NH+](C)CCC[N@H+](C)CCNc1cnc(C#N)cn1 ZINC000596425824 360891312 /nfs/dbraw/zinc/89/13/12/360891312.db2.gz WINMHYJSUVSUHS-UHFFFAOYSA-N 2 1 262.361 0.644 20 30 CCEDMP C[NH+](C)CCC[N@@H+](C)CCNc1cnc(C#N)cn1 ZINC000596425824 360891316 /nfs/dbraw/zinc/89/13/16/360891316.db2.gz WINMHYJSUVSUHS-UHFFFAOYSA-N 2 1 262.361 0.644 20 30 CCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CSCC#N ZINC000597942939 361287022 /nfs/dbraw/zinc/28/70/22/361287022.db2.gz QJOFKOLYBZOIIL-LBPRGKRZSA-N 2 1 286.445 0.631 20 30 CCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CSCC#N ZINC000597942939 361287025 /nfs/dbraw/zinc/28/70/25/361287025.db2.gz QJOFKOLYBZOIIL-LBPRGKRZSA-N 2 1 286.445 0.631 20 30 CCEDMP C#C[C@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000289357092 388868826 /nfs/dbraw/zinc/86/88/26/388868826.db2.gz JVMWMMNYWUCYAX-LBPRGKRZSA-N 2 1 259.357 0.340 20 30 CCEDMP CC(C)CNC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000303896246 389081221 /nfs/dbraw/zinc/08/12/21/389081221.db2.gz UIVPDGAJTHYSIV-UHFFFAOYSA-N 2 1 255.410 0.184 20 30 CCEDMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000328898224 389144047 /nfs/dbraw/zinc/14/40/47/389144047.db2.gz DBSHKODZIYJSDZ-ZDUSSCGKSA-N 2 1 277.372 0.538 20 30 CCEDMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000328898224 389144049 /nfs/dbraw/zinc/14/40/49/389144049.db2.gz DBSHKODZIYJSDZ-ZDUSSCGKSA-N 2 1 277.372 0.538 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358520499 389153890 /nfs/dbraw/zinc/15/38/90/389153890.db2.gz VHYUWGNZIAXGIW-LBPRGKRZSA-N 2 1 294.399 0.462 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000491566182 390114969 /nfs/dbraw/zinc/11/49/69/390114969.db2.gz DZOQELQMBVTNKO-CHWSQXEVSA-N 2 1 266.389 0.239 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)C1=O ZINC000647934774 390221729 /nfs/dbraw/zinc/22/17/29/390221729.db2.gz PSTYYEQUOZLDKS-XQQFMLRXSA-N 2 1 251.374 0.833 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)C1=O ZINC000647934774 390221732 /nfs/dbraw/zinc/22/17/32/390221732.db2.gz PSTYYEQUOZLDKS-XQQFMLRXSA-N 2 1 251.374 0.833 20 30 CCEDMP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000566732041 390641775 /nfs/dbraw/zinc/64/17/75/390641775.db2.gz VCUAVVHJTPSYAR-LLVKDONJSA-N 2 1 290.342 0.780 20 30 CCEDMP C=CC[C@@]1(C(=O)N[C@H]2CC[N@H+](CCOC)C2)CCC[NH2+]1 ZINC000662721178 414746121 /nfs/dbraw/zinc/74/61/21/414746121.db2.gz KVBQQUVHXKWRHX-ZFWWWQNUSA-N 2 1 281.400 0.522 20 30 CCEDMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCOCC1 ZINC000104172468 227926244 /nfs/dbraw/zinc/92/62/44/227926244.db2.gz KOTKZRDSSXNTTO-LLVKDONJSA-N 2 1 252.362 0.118 20 30 CCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1=O ZINC000335008733 545047766 /nfs/dbraw/zinc/04/77/66/545047766.db2.gz MHPVPFNXCDZWBI-UKRRQHHQSA-N 2 1 263.385 0.849 20 30 CCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1=O ZINC000335008733 545047770 /nfs/dbraw/zinc/04/77/70/545047770.db2.gz MHPVPFNXCDZWBI-UKRRQHHQSA-N 2 1 263.385 0.849 20 30 CCEDMP C[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1CC[N@@H+](C)C1 ZINC000157255086 261143182 /nfs/dbraw/zinc/14/31/82/261143182.db2.gz SYGBNQPVTHDIKH-LBPRGKRZSA-N 2 1 279.388 0.908 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000490574914 261163808 /nfs/dbraw/zinc/16/38/08/261163808.db2.gz FNBANHGXYXXGIR-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP COCCNC(=[NH2+])NCC[N@@H+]1CCc2ccccc2C1 ZINC000161493408 261248520 /nfs/dbraw/zinc/24/85/20/261248520.db2.gz UXGVVKRDAJDYOW-UHFFFAOYSA-N 2 1 276.384 0.595 20 30 CCEDMP COCCNC(=[NH2+])NCC[N@H+]1CCc2ccccc2C1 ZINC000161493408 261248522 /nfs/dbraw/zinc/24/85/22/261248522.db2.gz UXGVVKRDAJDYOW-UHFFFAOYSA-N 2 1 276.384 0.595 20 30 CCEDMP CC[N@@H+]1CCO[C@@H](CNC(=[NH2+])NC)[C@@H]1c1ccccc1 ZINC000285064742 263089725 /nfs/dbraw/zinc/08/97/25/263089725.db2.gz MBUGZJVGVMSXKZ-KBPBESRZSA-N 2 1 276.384 0.983 20 30 CCEDMP CC[N@H+]1CCO[C@@H](CNC(=[NH2+])NC)[C@@H]1c1ccccc1 ZINC000285064742 263089726 /nfs/dbraw/zinc/08/97/26/263089726.db2.gz MBUGZJVGVMSXKZ-KBPBESRZSA-N 2 1 276.384 0.983 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131692102 264376113 /nfs/dbraw/zinc/37/61/13/264376113.db2.gz VALOHVZGGOGFHD-CHWSQXEVSA-N 2 1 251.374 0.856 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131692102 264376114 /nfs/dbraw/zinc/37/61/14/264376114.db2.gz VALOHVZGGOGFHD-CHWSQXEVSA-N 2 1 251.374 0.856 20 30 CCEDMP C#CCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000367883636 267124179 /nfs/dbraw/zinc/12/41/79/267124179.db2.gz CGZZFAGQTRUNPV-UHFFFAOYSA-N 2 1 252.358 0.169 20 30 CCEDMP N#CCC[C@H](C#N)CNC[C@H]1CCC[N@@H+]1CCCO ZINC000583381460 327335052 /nfs/dbraw/zinc/33/50/52/327335052.db2.gz LQTRODIVWYQPAW-ZIAGYGMSSA-N 2 1 264.373 0.866 20 30 CCEDMP N#CCC[C@H](C#N)C[NH2+]C[C@H]1CCCN1CCCO ZINC000583381460 327335053 /nfs/dbraw/zinc/33/50/53/327335053.db2.gz LQTRODIVWYQPAW-ZIAGYGMSSA-N 2 1 264.373 0.866 20 30 CCEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CC[C@]2(CCOC2)C1 ZINC000261997308 329995842 /nfs/dbraw/zinc/99/58/42/329995842.db2.gz SQLOWLJKCKKRBM-JSGCOSHPSA-N 2 1 268.405 0.624 20 30 CCEDMP CN(C(=[NH2+])NC[C@]1([NH+](C)C)CCSC1)C1CC1 ZINC000262159244 330000877 /nfs/dbraw/zinc/00/08/77/330000877.db2.gz AUTDIVDXIXKDTL-GFCCVEGCSA-N 2 1 256.419 0.833 20 30 CCEDMP C[NH+]=C(NCC(=O)N1CCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262830249 330034661 /nfs/dbraw/zinc/03/46/61/330034661.db2.gz UUSLRKSIEOBJBC-LBPRGKRZSA-N 2 1 293.415 0.011 20 30 CCEDMP C[NH+]=C(NCC(=O)N1CCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262830249 330034663 /nfs/dbraw/zinc/03/46/63/330034663.db2.gz UUSLRKSIEOBJBC-LBPRGKRZSA-N 2 1 293.415 0.011 20 30 CCEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000424134814 330268029 /nfs/dbraw/zinc/26/80/29/330268029.db2.gz NXNUKAYJURQVDT-AVGNSLFASA-N 2 1 264.373 0.751 20 30 CCEDMP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424173948 330313670 /nfs/dbraw/zinc/31/36/70/330313670.db2.gz MMQKUHCLRDOIEP-CMPLNLGQSA-N 2 1 256.325 0.168 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC)C2)CC1 ZINC000107888927 330351557 /nfs/dbraw/zinc/35/15/57/330351557.db2.gz GZZRIDLCOPRUEB-AWEZNQCLSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000080565252 330365084 /nfs/dbraw/zinc/36/50/84/330365084.db2.gz UEHIPLNEFRAETC-CQSZACIVSA-N 2 1 280.416 0.677 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)CC1 ZINC000490912860 332128099 /nfs/dbraw/zinc/12/80/99/332128099.db2.gz BCQVVWJKKTXEMG-KBPBESRZSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)CC1 ZINC000490912863 332128126 /nfs/dbraw/zinc/12/81/26/332128126.db2.gz BCQVVWJKKTXEMG-UONOGXRCSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000491464793 332216995 /nfs/dbraw/zinc/21/69/95/332216995.db2.gz TXEYBEQZAIEAJY-UONOGXRCSA-N 2 1 280.416 0.758 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+]1CCCC1 ZINC000491622085 332247075 /nfs/dbraw/zinc/24/70/75/332247075.db2.gz DUEOIPUHBPWBGU-UHFFFAOYSA-N 2 1 280.416 0.727 20 30 CCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000564843197 334523606 /nfs/dbraw/zinc/52/36/06/334523606.db2.gz BEMRNZYSDCGWLE-INIZCTEOSA-N 2 1 297.443 0.310 20 30 CCEDMP C#CC[N@H+](C)CCCN[C@H]1CC[NH+](CCOC)C1 ZINC000385496346 336149196 /nfs/dbraw/zinc/14/91/96/336149196.db2.gz JIWQFCPSKLDQJG-AWEZNQCLSA-N 2 1 253.390 0.252 20 30 CCEDMP C#CC[N@@H+](C)CCCN[C@H]1CC[NH+](CCOC)C1 ZINC000385496346 336149195 /nfs/dbraw/zinc/14/91/95/336149195.db2.gz JIWQFCPSKLDQJG-AWEZNQCLSA-N 2 1 253.390 0.252 20 30 CCEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@@H+](CCOC)C1 ZINC000385496346 336149193 /nfs/dbraw/zinc/14/91/93/336149193.db2.gz JIWQFCPSKLDQJG-AWEZNQCLSA-N 2 1 253.390 0.252 20 30 CCEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@H+](CCOC)C1 ZINC000385496346 336149194 /nfs/dbraw/zinc/14/91/94/336149194.db2.gz JIWQFCPSKLDQJG-AWEZNQCLSA-N 2 1 253.390 0.252 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000781184980 581261188 /nfs/dbraw/zinc/26/11/88/581261188.db2.gz QHJIYYHLLXBHLW-ZFWWWQNUSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000781184980 581261190 /nfs/dbraw/zinc/26/11/90/581261190.db2.gz QHJIYYHLLXBHLW-ZFWWWQNUSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000781184980 581261192 /nfs/dbraw/zinc/26/11/92/581261192.db2.gz QHJIYYHLLXBHLW-ZFWWWQNUSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000781184980 581261194 /nfs/dbraw/zinc/26/11/94/581261194.db2.gz QHJIYYHLLXBHLW-ZFWWWQNUSA-N 2 1 275.396 0.851 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+]1CCCC1 ZINC000730284064 581692288 /nfs/dbraw/zinc/69/22/88/581692288.db2.gz FFMFZWFKEHNXIX-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+]1CCCC1 ZINC000730284064 581692291 /nfs/dbraw/zinc/69/22/91/581692291.db2.gz FFMFZWFKEHNXIX-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000730283716 581692583 /nfs/dbraw/zinc/69/25/83/581692583.db2.gz NANNLNQAEIRSFF-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000730283716 581692586 /nfs/dbraw/zinc/69/25/86/581692586.db2.gz NANNLNQAEIRSFF-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)CC ZINC000730283716 581692587 /nfs/dbraw/zinc/69/25/87/581692587.db2.gz NANNLNQAEIRSFF-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)CC ZINC000730283716 581692590 /nfs/dbraw/zinc/69/25/90/581692590.db2.gz NANNLNQAEIRSFF-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000730284698 581692662 /nfs/dbraw/zinc/69/26/62/581692662.db2.gz ZALIFVDLGNUHOH-CABCVRRESA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000730284698 581692663 /nfs/dbraw/zinc/69/26/63/581692663.db2.gz ZALIFVDLGNUHOH-CABCVRRESA-N 2 1 275.396 0.781 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741721220 581760428 /nfs/dbraw/zinc/76/04/28/581760428.db2.gz HIYBOXQEWNTHRV-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741721220 581760431 /nfs/dbraw/zinc/76/04/31/581760431.db2.gz HIYBOXQEWNTHRV-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000741721220 581760433 /nfs/dbraw/zinc/76/04/33/581760433.db2.gz HIYBOXQEWNTHRV-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000741721220 581760436 /nfs/dbraw/zinc/76/04/36/581760436.db2.gz HIYBOXQEWNTHRV-RDBSUJKOSA-N 2 1 263.385 0.683 20 30 CCEDMP N#CCCNC(=O)CN1CCC(n2ccnc2)CC1 ZINC000731847404 581783494 /nfs/dbraw/zinc/78/34/94/581783494.db2.gz KDIVOIRVHUSKFR-UHFFFAOYSA-N 2 1 261.329 0.550 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CCC ZINC000746638576 581920674 /nfs/dbraw/zinc/92/06/74/581920674.db2.gz FNANAOVNCORTEV-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CCC ZINC000746638576 581920678 /nfs/dbraw/zinc/92/06/78/581920678.db2.gz FNANAOVNCORTEV-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCC ZINC000746638576 581920681 /nfs/dbraw/zinc/92/06/81/581920681.db2.gz FNANAOVNCORTEV-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCC ZINC000746638576 581920683 /nfs/dbraw/zinc/92/06/83/581920683.db2.gz FNANAOVNCORTEV-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000764608859 582058449 /nfs/dbraw/zinc/05/84/49/582058449.db2.gz QKBLUKLGCYDQRD-VXGBXAGGSA-N 2 1 251.374 0.846 20 30 CCEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000981958168 613004270 /nfs/dbraw/zinc/00/42/70/613004270.db2.gz BPXAHHUAUYGUDS-LSDHHAIUSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981958168 613004271 /nfs/dbraw/zinc/00/42/71/613004271.db2.gz BPXAHHUAUYGUDS-LSDHHAIUSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981958168 613004273 /nfs/dbraw/zinc/00/42/73/613004273.db2.gz BPXAHHUAUYGUDS-LSDHHAIUSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CC[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000886365820 613046992 /nfs/dbraw/zinc/04/69/92/613046992.db2.gz QDUDRSVOSMOIMP-CYBMUJFWSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000852360392 613073232 /nfs/dbraw/zinc/07/32/32/613073232.db2.gz XXWRGGPQXDERTA-UHFFFAOYSA-N 2 1 266.389 0.145 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891921783 613073635 /nfs/dbraw/zinc/07/36/35/613073635.db2.gz VURUYPZVXWLILU-KGLIPLIRSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861633958 613076437 /nfs/dbraw/zinc/07/64/37/613076437.db2.gz ALTUWLXUIFOMGI-QWHCGFSZSA-N 2 1 266.389 0.381 20 30 CCEDMP C#CCC1([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CCOCC1 ZINC000887122418 612970780 /nfs/dbraw/zinc/97/07/80/612970780.db2.gz XKTYGQJHNUYYBV-AWEZNQCLSA-N 2 1 268.401 0.850 20 30 CCEDMP C#CCC[N@H+]1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000981625501 613003475 /nfs/dbraw/zinc/00/34/75/613003475.db2.gz XMFQVKBQQIQSJB-UHFFFAOYSA-N 2 1 274.368 0.749 20 30 CCEDMP C#CCC[N@@H+]1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000981625501 613003476 /nfs/dbraw/zinc/00/34/76/613003476.db2.gz XMFQVKBQQIQSJB-UHFFFAOYSA-N 2 1 274.368 0.749 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000960766698 613042923 /nfs/dbraw/zinc/04/29/23/613042923.db2.gz CGWHCUOURMUAEZ-FICVDOATSA-N 2 1 287.407 0.685 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(C)([NH3+])CC1 ZINC000841909434 613073602 /nfs/dbraw/zinc/07/36/02/613073602.db2.gz GGVJASOCMQZXGR-UHFFFAOYSA-N 2 1 266.389 0.464 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000895057110 613074419 /nfs/dbraw/zinc/07/44/19/613074419.db2.gz RRJJGVQXSJWFSP-KBPBESRZSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000895057110 613074421 /nfs/dbraw/zinc/07/44/21/613074421.db2.gz RRJJGVQXSJWFSP-KBPBESRZSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000895057110 613074423 /nfs/dbraw/zinc/07/44/23/613074423.db2.gz RRJJGVQXSJWFSP-KBPBESRZSA-N 2 1 278.400 0.287 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000922630283 613076896 /nfs/dbraw/zinc/07/68/96/613076896.db2.gz OYRLISPIBVMYSA-STQMWFEESA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000922630283 613076897 /nfs/dbraw/zinc/07/68/97/613076897.db2.gz OYRLISPIBVMYSA-STQMWFEESA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000922630283 613076898 /nfs/dbraw/zinc/07/68/98/613076898.db2.gz OYRLISPIBVMYSA-STQMWFEESA-N 2 1 266.389 0.333 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000850470991 613079333 /nfs/dbraw/zinc/07/93/33/613079333.db2.gz LBIOLXZQNCONCW-AGIUHOORSA-N 2 1 252.358 0.729 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000850470991 613079334 /nfs/dbraw/zinc/07/93/34/613079334.db2.gz LBIOLXZQNCONCW-AGIUHOORSA-N 2 1 252.358 0.729 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970360419 613116313 /nfs/dbraw/zinc/11/63/13/613116313.db2.gz FBKYVICNJSHRHA-GFCCVEGCSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000925357639 613134943 /nfs/dbraw/zinc/13/49/43/613134943.db2.gz WUUCTYOCZMLXRK-TZMCWYRMSA-N 2 1 278.400 0.476 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000914316090 613135265 /nfs/dbraw/zinc/13/52/65/613135265.db2.gz JABNUOVSVNIRDF-HNNXBMFYSA-N 2 1 292.427 0.868 20 30 CCEDMP C#CC[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000981330214 613155027 /nfs/dbraw/zinc/15/50/27/613155027.db2.gz AREXQQRAENBPSA-AWEZNQCLSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000981330214 613155029 /nfs/dbraw/zinc/15/50/29/613155029.db2.gz AREXQQRAENBPSA-AWEZNQCLSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000961774359 613315754 /nfs/dbraw/zinc/31/57/54/613315754.db2.gz WRURKDFYKDYXRM-OJLVUWQFSA-N 2 1 298.390 0.434 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000961774359 613315756 /nfs/dbraw/zinc/31/57/56/613315756.db2.gz WRURKDFYKDYXRM-OJLVUWQFSA-N 2 1 298.390 0.434 20 30 CCEDMP C#CCNC(=O)CC[NH2+][C@H](CC)C[NH+]1CCCC1 ZINC000819079583 613327269 /nfs/dbraw/zinc/32/72/69/613327269.db2.gz VXXPYWDVYSDUML-CYBMUJFWSA-N 2 1 251.374 0.590 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000908345778 613364407 /nfs/dbraw/zinc/36/44/07/613364407.db2.gz DNCVTBZACAXGMT-QWHCGFSZSA-N 2 1 251.374 0.657 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000909034011 613364507 /nfs/dbraw/zinc/36/45/07/613364507.db2.gz STGFMGBLMFHPAO-OKILXGFUSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000909034011 613364508 /nfs/dbraw/zinc/36/45/08/613364508.db2.gz STGFMGBLMFHPAO-OKILXGFUSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C(Cl)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000852743222 613374483 /nfs/dbraw/zinc/37/44/83/613374483.db2.gz BQNXWPHDPBZKGC-LBPRGKRZSA-N 2 1 271.792 0.883 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970712787 613385398 /nfs/dbraw/zinc/38/53/98/613385398.db2.gz SBRPAGRMNRAUHC-NWDGAFQWSA-N 2 1 271.792 0.881 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961664735 613562803 /nfs/dbraw/zinc/56/28/03/613562803.db2.gz RGXHZPQUKKQECP-FICVDOATSA-N 2 1 277.412 0.951 20 30 CCEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977604347 613621992 /nfs/dbraw/zinc/62/19/92/613621992.db2.gz VVSWVXAURXTEJQ-KBPBESRZSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962296522 613632815 /nfs/dbraw/zinc/63/28/15/613632815.db2.gz IGDJKOLFDHAWET-WDNDVIMCSA-N 2 1 273.380 0.152 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962560394 613633289 /nfs/dbraw/zinc/63/32/89/613633289.db2.gz AFJSTQHPYWGBCZ-NHAGDIPZSA-N 2 1 261.369 0.152 20 30 CCEDMP C=CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900598513 613675495 /nfs/dbraw/zinc/67/54/95/613675495.db2.gz HOZHNUQGLBOMCA-DZGCQCFKSA-N 2 1 281.400 0.208 20 30 CCEDMP C=CCONC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000838708330 613884201 /nfs/dbraw/zinc/88/42/01/613884201.db2.gz RLXWVMBJAFVPIW-GFCCVEGCSA-N 2 1 282.388 0.572 20 30 CCEDMP C=CCONC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000838708330 613884202 /nfs/dbraw/zinc/88/42/02/613884202.db2.gz RLXWVMBJAFVPIW-GFCCVEGCSA-N 2 1 282.388 0.572 20 30 CCEDMP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902370999 613886006 /nfs/dbraw/zinc/88/60/06/613886006.db2.gz QGYCYYNOMUCNRN-LBPRGKRZSA-N 2 1 274.430 0.955 20 30 CCEDMP CCC[N@H+]1CCC[C@H](C(=O)NCC#CC[NH+](C)C)C1 ZINC000913524885 614668743 /nfs/dbraw/zinc/66/87/43/614668743.db2.gz AMDORAZYBMNBPE-AWEZNQCLSA-N 2 1 265.401 0.790 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884176320 615145639 /nfs/dbraw/zinc/14/56/39/615145639.db2.gz CENYDMQELWYASJ-IQXANGCESA-N 2 1 290.411 0.726 20 30 CCEDMP CCN(CC)C(=[NH2+])NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000104174666 615158829 /nfs/dbraw/zinc/15/88/29/615158829.db2.gz VQDUIHXTJBYAPV-AWEZNQCLSA-N 2 1 283.464 0.917 20 30 CCEDMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834504436 616181058 /nfs/dbraw/zinc/18/10/58/616181058.db2.gz BBHQWGNCGHWGCK-UPJWGTAASA-N 2 1 264.373 0.479 20 30 CCEDMP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876733378 616214260 /nfs/dbraw/zinc/21/42/60/616214260.db2.gz WTJPKFZIQGTUNP-HOCLYGCPSA-N 2 1 298.390 0.955 20 30 CCEDMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876733378 616214261 /nfs/dbraw/zinc/21/42/61/616214261.db2.gz WTJPKFZIQGTUNP-HOCLYGCPSA-N 2 1 298.390 0.955 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001020235786 625293757 /nfs/dbraw/zinc/29/37/57/625293757.db2.gz DNRKVCSKNNNQFC-RBSFLKMASA-N 2 1 277.412 0.834 20 30 CCEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001026046128 625325454 /nfs/dbraw/zinc/32/54/54/625325454.db2.gz VYSUIYYJMKBJNI-SEBNEYGDSA-N 2 1 277.412 0.807 20 30 CCEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026046128 625325457 /nfs/dbraw/zinc/32/54/57/625325457.db2.gz VYSUIYYJMKBJNI-SEBNEYGDSA-N 2 1 277.412 0.807 20 30 CCEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026046128 625325460 /nfs/dbraw/zinc/32/54/60/625325460.db2.gz VYSUIYYJMKBJNI-SEBNEYGDSA-N 2 1 277.412 0.807 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001026421299 625441672 /nfs/dbraw/zinc/44/16/72/625441672.db2.gz QYSYZMJHEBYGOC-RRFJBIMHSA-N 2 1 286.379 0.651 20 30 CCEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023744203 623126148 /nfs/dbraw/zinc/12/61/48/623126148.db2.gz KNWHZJYJPWLECB-KGLIPLIRSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023744203 623126157 /nfs/dbraw/zinc/12/61/57/623126157.db2.gz KNWHZJYJPWLECB-KGLIPLIRSA-N 2 1 265.401 0.952 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023744203 623126164 /nfs/dbraw/zinc/12/61/64/623126164.db2.gz KNWHZJYJPWLECB-KGLIPLIRSA-N 2 1 265.401 0.952 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024441270 623324571 /nfs/dbraw/zinc/32/45/71/623324571.db2.gz CHMAPWRTLCZVQX-JKSUJKDBSA-N 2 1 289.423 0.932 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001020507169 624499186 /nfs/dbraw/zinc/49/91/86/624499186.db2.gz LXLVRZSAOOGXNJ-KKUMJFAQSA-N 2 1 295.427 0.909 20 30 CCEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001020507169 624499187 /nfs/dbraw/zinc/49/91/87/624499187.db2.gz LXLVRZSAOOGXNJ-KKUMJFAQSA-N 2 1 295.427 0.909 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001020720930 624586475 /nfs/dbraw/zinc/58/64/75/624586475.db2.gz GZTSTCXVFXRTMH-KBUPBQIOSA-N 2 1 275.396 0.873 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)C(=O)OC ZINC000303976754 624808020 /nfs/dbraw/zinc/80/80/20/624808020.db2.gz KNVSCUWENXBLDV-WDEREUQCSA-N 2 1 270.377 0.184 20 30 CCEDMP C[NH+]=C(NCc1noc(C)n1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261976675 624950414 /nfs/dbraw/zinc/95/04/14/624950414.db2.gz NVNRPOJNKYTSKK-JOYOIKCWSA-N 2 1 292.387 0.526 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001027576660 630768584 /nfs/dbraw/zinc/76/85/84/630768584.db2.gz TWJFNLNOWBLYAR-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001027576660 630768587 /nfs/dbraw/zinc/76/85/87/630768587.db2.gz TWJFNLNOWBLYAR-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001027576660 630768589 /nfs/dbraw/zinc/76/85/89/630768589.db2.gz TWJFNLNOWBLYAR-GJZGRUSLSA-N 2 1 277.412 0.884 20 30 CCEDMP CC[N@H+]1CC[C@H](CNC(=[NH+]C)N(C)C[C@@H]2CCOC2)C1 ZINC000261696305 631503145 /nfs/dbraw/zinc/50/31/45/631503145.db2.gz SKXPJJIKNLUOPT-KGLIPLIRSA-N 2 1 282.432 0.872 20 30 CCEDMP C=CCNC(=[NH+]CC)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261850119 631652556 /nfs/dbraw/zinc/65/25/56/631652556.db2.gz XFAGHYLXCDOSCF-AWEZNQCLSA-N 2 1 280.416 0.792 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@@H]1CCCS1 ZINC000261998359 631747171 /nfs/dbraw/zinc/74/71/71/631747171.db2.gz SWYUQKMWZWRDAI-RYUDHWBXSA-N 2 1 270.446 0.999 20 30 CCEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC000987189538 632838617 /nfs/dbraw/zinc/83/86/17/632838617.db2.gz GEIXLDIISMDZHW-GJZGRUSLSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008412515 650113711 /nfs/dbraw/zinc/11/37/11/650113711.db2.gz PZFIGKGBYHBTGC-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008412515 650113712 /nfs/dbraw/zinc/11/37/12/650113712.db2.gz PZFIGKGBYHBTGC-HNNXBMFYSA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CCN1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989665792 633340986 /nfs/dbraw/zinc/34/09/86/633340986.db2.gz NJCWZFOXYYXOMV-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989665792 633340991 /nfs/dbraw/zinc/34/09/91/633340991.db2.gz NJCWZFOXYYXOMV-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989665792 633340996 /nfs/dbraw/zinc/34/09/96/633340996.db2.gz NJCWZFOXYYXOMV-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989665792 633341000 /nfs/dbraw/zinc/34/10/00/633341000.db2.gz NJCWZFOXYYXOMV-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989665792 633341005 /nfs/dbraw/zinc/34/10/05/633341005.db2.gz NJCWZFOXYYXOMV-AWEZNQCLSA-N 2 1 263.385 0.496 20 30 CCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC000990027686 633408009 /nfs/dbraw/zinc/40/80/09/633408009.db2.gz VYAMGFDBZNIPBQ-OFQRWUPVSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC000990027686 633408014 /nfs/dbraw/zinc/40/80/14/633408014.db2.gz VYAMGFDBZNIPBQ-OFQRWUPVSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000990027686 633408015 /nfs/dbraw/zinc/40/80/15/633408015.db2.gz VYAMGFDBZNIPBQ-OFQRWUPVSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000990027686 633408018 /nfs/dbraw/zinc/40/80/18/633408018.db2.gz VYAMGFDBZNIPBQ-OFQRWUPVSA-N 2 1 275.396 0.827 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000990569458 633555239 /nfs/dbraw/zinc/55/52/39/633555239.db2.gz DZLXVHAGSSKKKN-ZDUSSCGKSA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000990569458 633555242 /nfs/dbraw/zinc/55/52/42/633555242.db2.gz DZLXVHAGSSKKKN-ZDUSSCGKSA-N 2 1 267.373 0.084 20 30 CCEDMP C[C@H](C(=O)NCC#CC[NH+](C)C)[NH+]1CCSCC1 ZINC000913519701 636834678 /nfs/dbraw/zinc/83/46/78/636834678.db2.gz LHNAMEKZYOCFHO-GFCCVEGCSA-N 2 1 269.414 0.105 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC000992087880 637299649 /nfs/dbraw/zinc/29/96/49/637299649.db2.gz VYAMGFDBZNIPBQ-YCPHGPKFSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC000992087880 637299657 /nfs/dbraw/zinc/29/96/57/637299657.db2.gz VYAMGFDBZNIPBQ-YCPHGPKFSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000992087880 637299667 /nfs/dbraw/zinc/29/96/67/637299667.db2.gz VYAMGFDBZNIPBQ-YCPHGPKFSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000992087880 637299677 /nfs/dbraw/zinc/29/96/77/637299677.db2.gz VYAMGFDBZNIPBQ-YCPHGPKFSA-N 2 1 275.396 0.827 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)O)CC1 ZINC000996686435 638828971 /nfs/dbraw/zinc/82/89/71/638828971.db2.gz UAJYMKPJXCCYTN-HIFRSBDPSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)O)CC1 ZINC000996686435 638828972 /nfs/dbraw/zinc/82/89/72/638828972.db2.gz UAJYMKPJXCCYTN-HIFRSBDPSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000997306231 638862551 /nfs/dbraw/zinc/86/25/51/638862551.db2.gz AQLYAOBXTFOMMJ-UHFFFAOYSA-N 2 1 260.341 0.405 20 30 CCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001014507665 650457821 /nfs/dbraw/zinc/45/78/21/650457821.db2.gz KIGWLCAOLWITOQ-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001014507665 650457823 /nfs/dbraw/zinc/45/78/23/650457823.db2.gz KIGWLCAOLWITOQ-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001014507665 650457826 /nfs/dbraw/zinc/45/78/26/650457826.db2.gz KIGWLCAOLWITOQ-SOUVJXGZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001000688570 639152442 /nfs/dbraw/zinc/15/24/42/639152442.db2.gz KRWRPNXWJQJRAP-KGLIPLIRSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015060850 650522430 /nfs/dbraw/zinc/52/24/30/650522430.db2.gz UECRYPZJOLZQEK-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001015060850 650522432 /nfs/dbraw/zinc/52/24/32/650522432.db2.gz UECRYPZJOLZQEK-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060850 650522436 /nfs/dbraw/zinc/52/24/36/650522436.db2.gz UECRYPZJOLZQEK-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060850 650522438 /nfs/dbraw/zinc/52/24/38/650522438.db2.gz UECRYPZJOLZQEK-CABCVRRESA-N 2 1 277.412 0.931 20 30 CCEDMP C[C@H](C#N)OCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000801936242 640678879 /nfs/dbraw/zinc/67/88/79/640678879.db2.gz QZGXYKKJSVUURY-CQSZACIVSA-N 2 1 268.405 0.484 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003616 650673466 /nfs/dbraw/zinc/67/34/66/650673466.db2.gz LROWZVZSNWNWEF-ZDUSSCGKSA-N 2 1 261.369 0.296 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001018180958 650846856 /nfs/dbraw/zinc/84/68/56/650846856.db2.gz FLETYKXCTMARHE-GASCZTMLSA-N 2 1 287.407 0.781 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001018180958 650846858 /nfs/dbraw/zinc/84/68/58/650846858.db2.gz FLETYKXCTMARHE-GASCZTMLSA-N 2 1 287.407 0.781 20 30 CCEDMP C[C@@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000852872442 644035331 /nfs/dbraw/zinc/03/53/31/644035331.db2.gz MMRQJCAEUDCDDH-OCCSQVGLSA-N 2 1 275.396 0.731 20 30 CCEDMP C[C@@H]1C(=NNC(=S)NCCC[NH+](C)C)CC[N@H+]1C ZINC000872351462 646250719 /nfs/dbraw/zinc/25/07/19/646250719.db2.gz FXXZUMVVZMRHKH-SNVBAGLBSA-N 2 1 271.434 0.482 20 30 CCEDMP C[C@@H]1C(=NNC(=S)NCCC[NH+](C)C)CC[N@@H+]1C ZINC000872351462 646250729 /nfs/dbraw/zinc/25/07/29/646250729.db2.gz FXXZUMVVZMRHKH-SNVBAGLBSA-N 2 1 271.434 0.482 20 30 CCEDMP C#CC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878761650 646975312 /nfs/dbraw/zinc/97/53/12/646975312.db2.gz QOFGHPOPOQTOFG-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000195522527 649601754 /nfs/dbraw/zinc/60/17/54/649601754.db2.gz GGZOBFBTXOVYOX-OLZOCXBDSA-N 2 1 268.405 0.802 20 30 CCEDMP CCN(CC)C(=[NH2+])NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303781431 649824954 /nfs/dbraw/zinc/82/49/54/649824954.db2.gz MFLKAMHJGZGRSF-CYBMUJFWSA-N 2 1 270.421 1.000 20 30 CCEDMP C[C@H](CNC(=[NH2+])N1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000303897943 649826531 /nfs/dbraw/zinc/82/65/31/649826531.db2.gz QWKCUKHDLQGOSF-CHWSQXEVSA-N 2 1 268.405 0.754 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOC[C@@H]1CCCO1 ZINC000304757115 649838397 /nfs/dbraw/zinc/83/83/97/649838397.db2.gz OJSJPLWOELQKRB-KBPBESRZSA-N 2 1 298.431 0.571 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001266380221 790616226 /nfs/dbraw/zinc/61/62/26/790616226.db2.gz JBYIGURRHDUZIU-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001266380221 790616229 /nfs/dbraw/zinc/61/62/29/790616229.db2.gz JBYIGURRHDUZIU-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001266489039 790781463 /nfs/dbraw/zinc/78/14/63/790781463.db2.gz VVDZKTFJPGXGFI-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001266489039 790781472 /nfs/dbraw/zinc/78/14/72/790781472.db2.gz VVDZKTFJPGXGFI-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001266489039 790781480 /nfs/dbraw/zinc/78/14/80/790781480.db2.gz VVDZKTFJPGXGFI-ZDUSSCGKSA-N 2 1 251.374 0.542 20 30 CCEDMP C=C(C)CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001266588594 790990497 /nfs/dbraw/zinc/99/04/97/790990497.db2.gz SHILVUBBGOWFRY-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001266588594 790990501 /nfs/dbraw/zinc/99/05/01/790990501.db2.gz SHILVUBBGOWFRY-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001266588594 790990505 /nfs/dbraw/zinc/99/05/05/790990505.db2.gz SHILVUBBGOWFRY-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001266588594 790990508 /nfs/dbraw/zinc/99/05/08/790990508.db2.gz SHILVUBBGOWFRY-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001203203264 791119335 /nfs/dbraw/zinc/11/93/35/791119335.db2.gz JRARPWCNHIDAFN-UHFFFAOYSA-N 2 1 295.427 0.559 20 30 CCEDMP COCC#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001231253976 805761369 /nfs/dbraw/zinc/76/13/69/805761369.db2.gz DDJVOFBRTFORIY-GJZGRUSLSA-N 2 1 293.411 0.263 20 30 CCEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC#CCOC ZINC001267233148 791713636 /nfs/dbraw/zinc/71/36/36/791713636.db2.gz RJEIFMKWWFJODZ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC#CCOC ZINC001267233148 791713645 /nfs/dbraw/zinc/71/36/45/791713645.db2.gz RJEIFMKWWFJODZ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC#CCOC ZINC001267233148 791713654 /nfs/dbraw/zinc/71/36/54/791713654.db2.gz RJEIFMKWWFJODZ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC#CCOC ZINC001267233148 791713667 /nfs/dbraw/zinc/71/36/67/791713667.db2.gz RJEIFMKWWFJODZ-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001277822921 806163164 /nfs/dbraw/zinc/16/31/64/806163164.db2.gz HONDSOZQLFNXPO-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP N#Cc1ccc2nc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)cn2c1 ZINC001234991840 806337903 /nfs/dbraw/zinc/33/79/03/806337903.db2.gz QDGARNGVMZTJRQ-INIZCTEOSA-N 2 1 296.378 0.343 20 30 CCEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122177966 799162050 /nfs/dbraw/zinc/16/20/50/799162050.db2.gz PGEOZTQAJSCJFF-HOUHCIJLSA-N 2 1 289.423 0.978 20 30 CCEDMP C#CCC[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001278164266 806735447 /nfs/dbraw/zinc/73/54/47/806735447.db2.gz BSPNFYZEANVZML-ZDUSSCGKSA-N 2 1 292.383 0.097 20 30 CCEDMP C=CCN1CCCO[C@@H](CNC(=O)CCc2ncc[nH]2)C1 ZINC001149652379 800288376 /nfs/dbraw/zinc/28/83/76/800288376.db2.gz AHESTMVWLUQNDT-ZDUSSCGKSA-N 2 1 292.383 0.735 20 30 CCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881440 800304189 /nfs/dbraw/zinc/30/41/89/800304189.db2.gz NYOBKTNUJAMQSK-GJZGRUSLSA-N 2 1 295.427 0.413 20 30 CCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881440 800304196 /nfs/dbraw/zinc/30/41/96/800304196.db2.gz NYOBKTNUJAMQSK-GJZGRUSLSA-N 2 1 295.427 0.413 20 30 CCEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150620920 800353556 /nfs/dbraw/zinc/35/35/56/800353556.db2.gz YXYADMYZNUJHTM-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150620920 800353563 /nfs/dbraw/zinc/35/35/63/800353563.db2.gz YXYADMYZNUJHTM-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150620920 800353571 /nfs/dbraw/zinc/35/35/71/800353571.db2.gz YXYADMYZNUJHTM-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CC1 ZINC001160197918 801919188 /nfs/dbraw/zinc/91/91/88/801919188.db2.gz NTXBFQWHJRQGIB-HNNXBMFYSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CC1 ZINC001160197918 801919192 /nfs/dbraw/zinc/91/91/92/801919192.db2.gz NTXBFQWHJRQGIB-HNNXBMFYSA-N 2 1 277.412 0.980 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)COC ZINC001160209220 801920943 /nfs/dbraw/zinc/92/09/43/801920943.db2.gz DOOVDWPGCCSOOJ-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)COC ZINC001160209220 801920946 /nfs/dbraw/zinc/92/09/46/801920946.db2.gz DOOVDWPGCCSOOJ-KGLIPLIRSA-N 2 1 281.400 0.215 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164536285 802758188 /nfs/dbraw/zinc/75/81/88/802758188.db2.gz PIWWSEBBUNXXRX-CQSZACIVSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267748599 811739879 /nfs/dbraw/zinc/73/98/79/811739879.db2.gz AKJWGYPZHLYGQV-ZIAGYGMSSA-N 2 1 265.401 0.786 20 30 CCEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001166708538 802945033 /nfs/dbraw/zinc/94/50/33/802945033.db2.gz SJUYQQQMGYPALS-AWEZNQCLSA-N 2 1 288.395 0.873 20 30 CCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001276413593 803036038 /nfs/dbraw/zinc/03/60/38/803036038.db2.gz GJSYXQVLWKCOPS-CYBMUJFWSA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211098236 803667996 /nfs/dbraw/zinc/66/79/96/803667996.db2.gz PCVJEUSFQFMZNI-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213671503 803699401 /nfs/dbraw/zinc/69/94/01/803699401.db2.gz KETCRSQZKMOEAD-ZIAGYGMSSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213753361 803702729 /nfs/dbraw/zinc/70/27/29/803702729.db2.gz FNJYIYBQABTSLC-HUUCEWRRSA-N 2 1 295.427 0.557 20 30 CCEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001276705573 803704835 /nfs/dbraw/zinc/70/48/35/803704835.db2.gz ZBAHGTXOQIGHQJ-STQMWFEESA-N 2 1 251.374 0.609 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083455632 815012468 /nfs/dbraw/zinc/01/24/68/815012468.db2.gz LOJULEKAVUPZQN-KFWWJZLASA-N 2 1 293.411 0.044 20 30 CCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083455632 815012474 /nfs/dbraw/zinc/01/24/74/815012474.db2.gz LOJULEKAVUPZQN-KFWWJZLASA-N 2 1 293.411 0.044 20 30 CCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455632 815012482 /nfs/dbraw/zinc/01/24/82/815012482.db2.gz LOJULEKAVUPZQN-KFWWJZLASA-N 2 1 293.411 0.044 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455632 815012486 /nfs/dbraw/zinc/01/24/86/815012486.db2.gz LOJULEKAVUPZQN-KFWWJZLASA-N 2 1 293.411 0.044 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802191 804426025 /nfs/dbraw/zinc/42/60/25/804426025.db2.gz HJPPEIIBTXCHHN-KGLIPLIRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219813956 804427152 /nfs/dbraw/zinc/42/71/52/804427152.db2.gz MJUFEKUDDMJWBQ-CABCVRRESA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219813956 804427156 /nfs/dbraw/zinc/42/71/56/804427156.db2.gz MJUFEKUDDMJWBQ-CABCVRRESA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219813956 804427161 /nfs/dbraw/zinc/42/71/61/804427161.db2.gz MJUFEKUDDMJWBQ-CABCVRRESA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345227 804579854 /nfs/dbraw/zinc/57/98/54/804579854.db2.gz RYALFTONQQIZKD-ILXRZTDVSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355648 804581268 /nfs/dbraw/zinc/58/12/68/804581268.db2.gz XUFPQDXZPZIDMB-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355648 804581273 /nfs/dbraw/zinc/58/12/73/804581273.db2.gz XUFPQDXZPZIDMB-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355648 804581279 /nfs/dbraw/zinc/58/12/79/804581279.db2.gz XUFPQDXZPZIDMB-KFWWJZLASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369186 804584809 /nfs/dbraw/zinc/58/48/09/804584809.db2.gz CBOGOBXVJGLZDV-KGLIPLIRSA-N 2 1 297.443 0.702 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369186 804584812 /nfs/dbraw/zinc/58/48/12/804584812.db2.gz CBOGOBXVJGLZDV-KGLIPLIRSA-N 2 1 297.443 0.702 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369186 804584818 /nfs/dbraw/zinc/58/48/18/804584818.db2.gz CBOGOBXVJGLZDV-KGLIPLIRSA-N 2 1 297.443 0.702 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC001220868351 804685377 /nfs/dbraw/zinc/68/53/77/804685377.db2.gz GXILPUYQTFOCDE-GXTWGEPZSA-N 2 1 251.374 0.753 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH2+]CC1 ZINC001220868665 804685513 /nfs/dbraw/zinc/68/55/13/804685513.db2.gz ODBYUWSDZWXDFH-ZDUSSCGKSA-N 2 1 251.374 0.753 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001220978300 804712113 /nfs/dbraw/zinc/71/21/13/804712113.db2.gz WNAGHEFSGXMMSD-KGLIPLIRSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978300 804712115 /nfs/dbraw/zinc/71/21/15/804712115.db2.gz WNAGHEFSGXMMSD-KGLIPLIRSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220978300 804712116 /nfs/dbraw/zinc/71/21/16/804712116.db2.gz WNAGHEFSGXMMSD-KGLIPLIRSA-N 2 1 281.400 0.210 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001223977509 804998681 /nfs/dbraw/zinc/99/86/81/804998681.db2.gz DZOPQGZQFLOXMR-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001223977509 804998690 /nfs/dbraw/zinc/99/86/90/804998690.db2.gz DZOPQGZQFLOXMR-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001223977509 804998694 /nfs/dbraw/zinc/99/86/94/804998694.db2.gz DZOPQGZQFLOXMR-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP CCC[N@H+]1CC[C@@H](CNC(=O)NCC#CC[NH+](C)C)C1 ZINC001224735482 805073884 /nfs/dbraw/zinc/07/38/84/805073884.db2.gz PKWFNKWVNOHFFQ-AWEZNQCLSA-N 2 1 280.416 0.583 20 30 CCEDMP COCC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001277148371 805276094 /nfs/dbraw/zinc/27/60/94/805276094.db2.gz OMOVUWCSNCOIOI-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP CC#CC[NH+]1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001229908461 805565688 /nfs/dbraw/zinc/56/56/88/805565688.db2.gz MIHXYMSUWVPWLO-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001278443672 807236484 /nfs/dbraw/zinc/23/64/84/807236484.db2.gz FXKAMODQJOJIFM-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001278443672 807236488 /nfs/dbraw/zinc/23/64/88/807236488.db2.gz FXKAMODQJOJIFM-HOCLYGCPSA-N 2 1 295.427 0.721 20 30 CCEDMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC#CC[NH+](C)C ZINC001248520772 807517463 /nfs/dbraw/zinc/51/74/63/807517463.db2.gz FFBZTFKFPBPGFW-AWEZNQCLSA-N 2 1 280.416 0.725 20 30 CCEDMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001278582632 807605254 /nfs/dbraw/zinc/60/52/54/807605254.db2.gz NJSGOHDOORWPQI-HOCLYGCPSA-N 2 1 277.412 0.790 20 30 CCEDMP C[NH+](C)CC#CCNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001251708157 807696399 /nfs/dbraw/zinc/69/63/99/807696399.db2.gz LXNRWXUDCRHCCP-CQSZACIVSA-N 2 1 278.400 0.431 20 30 CCEDMP C=C[C@](C)(O)C[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001252548205 807905975 /nfs/dbraw/zinc/90/59/75/807905975.db2.gz BGBKKRQKFQADOE-AWEZNQCLSA-N 2 1 256.390 0.966 20 30 CCEDMP C=C[C@](C)(O)C[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001252548205 807905979 /nfs/dbraw/zinc/90/59/79/807905979.db2.gz BGBKKRQKFQADOE-AWEZNQCLSA-N 2 1 256.390 0.966 20 30 CCEDMP C=C[C@](C)(O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252549137 807906591 /nfs/dbraw/zinc/90/65/91/807906591.db2.gz CEIXEJKKSLGYHE-ZNMIVQPWSA-N 2 1 267.417 0.634 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC[C@H](O)C[NH+](CC)CC ZINC001253209661 808033042 /nfs/dbraw/zinc/03/30/42/808033042.db2.gz CWSXOUDQCQCKKV-GJZGRUSLSA-N 2 1 269.433 0.929 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](O)C1 ZINC001083506123 815178218 /nfs/dbraw/zinc/17/82/18/815178218.db2.gz QOMDYVMMNIYPHQ-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083506123 815178220 /nfs/dbraw/zinc/17/82/20/815178220.db2.gz QOMDYVMMNIYPHQ-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083506123 815178225 /nfs/dbraw/zinc/17/82/25/815178225.db2.gz QOMDYVMMNIYPHQ-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)CN1CC[NH+](C)CC1 ZINC001261458527 808984066 /nfs/dbraw/zinc/98/40/66/808984066.db2.gz BRDHCTTWKXCYSV-ZIAGYGMSSA-N 2 1 295.431 0.007 20 30 CCEDMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001261460198 808984371 /nfs/dbraw/zinc/98/43/71/808984371.db2.gz VLFQVXPDFHQHEA-QWHCGFSZSA-N 2 1 266.389 0.856 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001264392019 809650253 /nfs/dbraw/zinc/65/02/53/809650253.db2.gz AACJADMCXFBAJS-APIJFGDWSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001265310588 809755874 /nfs/dbraw/zinc/75/58/74/809755874.db2.gz RDTZGHBZAJMCJJ-CQSZACIVSA-N 2 1 293.411 0.311 20 30 CCEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001266189389 809958237 /nfs/dbraw/zinc/95/82/37/809958237.db2.gz QSAZUXFIHAFOQL-KBPBESRZSA-N 2 1 281.400 0.072 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001267281192 811089594 /nfs/dbraw/zinc/08/95/94/811089594.db2.gz JWIJXXLUYNEPJX-CQSZACIVSA-N 2 1 265.401 0.932 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001077028006 815433701 /nfs/dbraw/zinc/43/37/01/815433701.db2.gz VHLKKJMEBOKZBY-GBJTYRQASA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077028006 815433703 /nfs/dbraw/zinc/43/37/03/815433703.db2.gz VHLKKJMEBOKZBY-GBJTYRQASA-N 2 1 295.427 0.454 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077028006 815433707 /nfs/dbraw/zinc/43/37/07/815433707.db2.gz VHLKKJMEBOKZBY-GBJTYRQASA-N 2 1 295.427 0.454 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](O)C1 ZINC001083570133 815469067 /nfs/dbraw/zinc/46/90/67/815469067.db2.gz GVTSHKLAHBHLDS-KGLIPLIRSA-N 2 1 286.335 0.524 20 30 CCEDMP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267982319 811922027 /nfs/dbraw/zinc/92/20/27/811922027.db2.gz CVFTWUYATUMQLJ-UONOGXRCSA-N 2 1 283.416 0.625 20 30 CCEDMP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267982319 811922032 /nfs/dbraw/zinc/92/20/32/811922032.db2.gz CVFTWUYATUMQLJ-UONOGXRCSA-N 2 1 283.416 0.625 20 30 CCEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001267991099 811930677 /nfs/dbraw/zinc/93/06/77/811930677.db2.gz NJUAZMLFHFTJHU-LSDHHAIUSA-N 2 1 295.427 0.462 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027884021 812115470 /nfs/dbraw/zinc/11/54/70/812115470.db2.gz FQRVCZCFFGTTLE-HUUCEWRRSA-N 2 1 275.396 0.542 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001028094288 812273843 /nfs/dbraw/zinc/27/38/43/812273843.db2.gz WRKFACYWJUYNPD-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028094288 812273851 /nfs/dbraw/zinc/27/38/51/812273851.db2.gz WRKFACYWJUYNPD-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028094288 812273860 /nfs/dbraw/zinc/27/38/60/812273860.db2.gz WRKFACYWJUYNPD-LSDHHAIUSA-N 2 1 295.427 0.862 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028112607 812286731 /nfs/dbraw/zinc/28/67/31/812286731.db2.gz WBYLAEZOQZYLEC-AWEZNQCLSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028118183 812291448 /nfs/dbraw/zinc/29/14/48/812291448.db2.gz XBLILTVNVKQKKR-OAHLLOKOSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001268227302 812383870 /nfs/dbraw/zinc/38/38/70/812383870.db2.gz SEEWPUNDZBNYAP-ZDUSSCGKSA-N 2 1 262.357 0.555 20 30 CCEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075619706 812474095 /nfs/dbraw/zinc/47/40/95/812474095.db2.gz LYGIFIJCNNPAKL-RRFJBIMHSA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075619706 812474099 /nfs/dbraw/zinc/47/40/99/812474099.db2.gz LYGIFIJCNNPAKL-RRFJBIMHSA-N 2 1 275.396 0.637 20 30 CCEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075619706 812474104 /nfs/dbraw/zinc/47/41/04/812474104.db2.gz LYGIFIJCNNPAKL-RRFJBIMHSA-N 2 1 275.396 0.637 20 30 CCEDMP C=CC[NH2+]CC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001268381998 812532773 /nfs/dbraw/zinc/53/27/73/812532773.db2.gz CKEXGBPHCFKIGY-NSHDSACASA-N 2 1 250.346 0.862 20 30 CCEDMP C=CC[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001268409086 812550700 /nfs/dbraw/zinc/55/07/00/812550700.db2.gz ULLPIFODYPYLIG-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP CC#CC[NH2+]C/C=C\CNC(=O)CC[N@H+](C)CC ZINC001268613081 812947837 /nfs/dbraw/zinc/94/78/37/812947837.db2.gz YLNSVIMKZLRMJI-FPLPWBNLSA-N 2 1 251.374 0.614 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028629637 813008535 /nfs/dbraw/zinc/00/85/35/813008535.db2.gz PEQYGLHDUNTKEB-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629637 813008546 /nfs/dbraw/zinc/00/85/46/813008546.db2.gz PEQYGLHDUNTKEB-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629637 813008554 /nfs/dbraw/zinc/00/85/54/813008554.db2.gz PEQYGLHDUNTKEB-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629637 813008563 /nfs/dbraw/zinc/00/85/63/813008563.db2.gz PEQYGLHDUNTKEB-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629637 813008573 /nfs/dbraw/zinc/00/85/73/813008573.db2.gz PEQYGLHDUNTKEB-QLFBSQMISA-N 2 1 295.427 0.720 20 30 CCEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268731336 813047706 /nfs/dbraw/zinc/04/77/06/813047706.db2.gz MWTNNXKPOAOCOX-RRFJBIMHSA-N 2 1 295.427 0.413 20 30 CCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268731336 813047718 /nfs/dbraw/zinc/04/77/18/813047718.db2.gz MWTNNXKPOAOCOX-RRFJBIMHSA-N 2 1 295.427 0.413 20 30 CCEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268731336 813047723 /nfs/dbraw/zinc/04/77/23/813047723.db2.gz MWTNNXKPOAOCOX-RRFJBIMHSA-N 2 1 295.427 0.413 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001028638266 813086815 /nfs/dbraw/zinc/08/68/15/813086815.db2.gz FEZINKALTUJWJM-UONOGXRCSA-N 2 1 286.379 0.517 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028933435 813672289 /nfs/dbraw/zinc/67/22/89/813672289.db2.gz OWJBOUSGRMJXLN-ZDUSSCGKSA-N 2 1 286.379 0.833 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001028997761 813740298 /nfs/dbraw/zinc/74/02/98/813740298.db2.gz ZKPBEGVABNRVCG-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001028997761 813740302 /nfs/dbraw/zinc/74/03/02/813740302.db2.gz ZKPBEGVABNRVCG-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001028997761 813740307 /nfs/dbraw/zinc/74/03/07/813740307.db2.gz ZKPBEGVABNRVCG-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028997761 813740310 /nfs/dbraw/zinc/74/03/10/813740310.db2.gz ZKPBEGVABNRVCG-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028997761 813740315 /nfs/dbraw/zinc/74/03/15/813740315.db2.gz ZKPBEGVABNRVCG-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199951 814444386 /nfs/dbraw/zinc/44/43/86/814444386.db2.gz JVUMDRNBEDYGQJ-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199951 814444393 /nfs/dbraw/zinc/44/43/93/814444393.db2.gz JVUMDRNBEDYGQJ-OAGGEKHMSA-N 2 1 289.423 0.742 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001088494079 814742809 /nfs/dbraw/zinc/74/28/09/814742809.db2.gz KKGAFOWEIFKOTP-FRRDWIJNSA-N 2 1 251.374 0.846 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001088494079 814742815 /nfs/dbraw/zinc/74/28/15/814742815.db2.gz KKGAFOWEIFKOTP-FRRDWIJNSA-N 2 1 251.374 0.846 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088494079 814742821 /nfs/dbraw/zinc/74/28/21/814742821.db2.gz KKGAFOWEIFKOTP-FRRDWIJNSA-N 2 1 251.374 0.846 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001088494079 814742828 /nfs/dbraw/zinc/74/28/28/814742828.db2.gz KKGAFOWEIFKOTP-FRRDWIJNSA-N 2 1 251.374 0.846 20 30 CCEDMP C[N+](C)(C)C[C@@H](CC#N)OCCC[NH+]1CCOCC1 ZINC001224870272 815622803 /nfs/dbraw/zinc/62/28/03/815622803.db2.gz ORBIAMFKUGQNTM-CQSZACIVSA-N 2 1 270.397 0.714 20 30 CCEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001272271365 815988446 /nfs/dbraw/zinc/98/84/46/815988446.db2.gz KMDCIGRIOGSSJE-HNNXBMFYSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974240 816030917 /nfs/dbraw/zinc/03/09/17/816030917.db2.gz SDEDBHOZXLXTCX-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974240 816030920 /nfs/dbraw/zinc/03/09/20/816030920.db2.gz SDEDBHOZXLXTCX-KFWWJZLASA-N 2 1 293.411 0.024 20 30 CCEDMP C=C(C)CN1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030704935 816238893 /nfs/dbraw/zinc/23/88/93/816238893.db2.gz JHBSGWGKYPKJRC-UGWHAMFMSA-N 2 1 291.395 0.226 20 30 CCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749479 816978187 /nfs/dbraw/zinc/97/81/87/816978187.db2.gz BTDYJLNAKSYMGZ-CABCVRRESA-N 2 1 295.427 0.456 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675018 817237436 /nfs/dbraw/zinc/23/74/36/817237436.db2.gz RVGGQPPJRKXVMA-HNNXBMFYSA-N 2 1 275.396 0.400 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031774541 817356858 /nfs/dbraw/zinc/35/68/58/817356858.db2.gz AWBJQXWZLPPLIK-CQSZACIVSA-N 2 1 263.385 0.542 20 30 CCEDMP CC#CC[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031811922 817388684 /nfs/dbraw/zinc/38/86/84/817388684.db2.gz FIJUAEQSAUKOSN-UHFFFAOYSA-N 2 1 275.396 0.686 20 30 CCEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127695693 817462790 /nfs/dbraw/zinc/46/27/90/817462790.db2.gz TUWVYTIFXLEZHH-QWHCGFSZSA-N 2 1 253.390 0.999 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1cnc[nH]1 ZINC001089868512 817575026 /nfs/dbraw/zinc/57/50/26/817575026.db2.gz CTDRAHGIVTXEHG-UKMLZYKCSA-N 2 1 298.390 0.754 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212487166 818199098 /nfs/dbraw/zinc/19/90/98/818199098.db2.gz VQZYVZAZTIUUBN-CHWSQXEVSA-N 2 1 283.416 0.718 20 30 CCEDMP C=CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212487166 818199105 /nfs/dbraw/zinc/19/91/05/818199105.db2.gz VQZYVZAZTIUUBN-CHWSQXEVSA-N 2 1 283.416 0.718 20 30 CCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212487166 818199114 /nfs/dbraw/zinc/19/91/14/818199114.db2.gz VQZYVZAZTIUUBN-CHWSQXEVSA-N 2 1 283.416 0.718 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212487166 818199121 /nfs/dbraw/zinc/19/91/21/818199121.db2.gz VQZYVZAZTIUUBN-CHWSQXEVSA-N 2 1 283.416 0.718 20 30 CCEDMP C#CC[NH2+]CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273017939 818430482 /nfs/dbraw/zinc/43/04/82/818430482.db2.gz FGRNXPZAHASHFW-OLZOCXBDSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033083248 818499600 /nfs/dbraw/zinc/49/96/00/818499600.db2.gz WJCAPBJTBARORW-HOTGVXAUSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001033163022 818590465 /nfs/dbraw/zinc/59/04/65/818590465.db2.gz XGDFXCKCHLHFFS-HOTGVXAUSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001033163022 818590474 /nfs/dbraw/zinc/59/04/74/818590474.db2.gz XGDFXCKCHLHFFS-HOTGVXAUSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001033163022 818590483 /nfs/dbraw/zinc/59/04/83/818590483.db2.gz XGDFXCKCHLHFFS-HOTGVXAUSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001033163022 818590492 /nfs/dbraw/zinc/59/04/92/818590492.db2.gz XGDFXCKCHLHFFS-HOTGVXAUSA-N 2 1 287.407 0.640 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033419318 818759552 /nfs/dbraw/zinc/75/95/52/818759552.db2.gz IGUBAHDFBKBIQT-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033419318 818759560 /nfs/dbraw/zinc/75/95/60/818759560.db2.gz IGUBAHDFBKBIQT-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033419318 818759568 /nfs/dbraw/zinc/75/95/68/818759568.db2.gz IGUBAHDFBKBIQT-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033419318 818759574 /nfs/dbraw/zinc/75/95/74/818759574.db2.gz IGUBAHDFBKBIQT-KBPBESRZSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033664315 818873618 /nfs/dbraw/zinc/87/36/18/818873618.db2.gz FWSZRDJCMABWIJ-CYBMUJFWSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033664315 818873627 /nfs/dbraw/zinc/87/36/27/818873627.db2.gz FWSZRDJCMABWIJ-CYBMUJFWSA-N 2 1 262.357 0.910 20 30 CCEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001033672880 818880263 /nfs/dbraw/zinc/88/02/63/818880263.db2.gz SUVZTFOURYNCJW-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001033672880 818880265 /nfs/dbraw/zinc/88/02/65/818880265.db2.gz SUVZTFOURYNCJW-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033672880 818880268 /nfs/dbraw/zinc/88/02/68/818880268.db2.gz SUVZTFOURYNCJW-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033672880 818880269 /nfs/dbraw/zinc/88/02/69/818880269.db2.gz SUVZTFOURYNCJW-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034738462 819318585 /nfs/dbraw/zinc/31/85/85/819318585.db2.gz SYUPYJATWKXKGJ-TUVASFSCSA-N 2 1 277.412 0.834 20 30 CCEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035259549 819426186 /nfs/dbraw/zinc/42/61/86/819426186.db2.gz XOFWZGQYKLAWFS-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001035259549 819426189 /nfs/dbraw/zinc/42/61/89/819426189.db2.gz XOFWZGQYKLAWFS-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001035259549 819426190 /nfs/dbraw/zinc/42/61/90/819426190.db2.gz XOFWZGQYKLAWFS-OAHLLOKOSA-N 2 1 289.423 0.886 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCC)CCO1 ZINC001035402692 819507753 /nfs/dbraw/zinc/50/77/53/819507753.db2.gz NRWAVTQESPZQDY-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCC)CCO1 ZINC001035402692 819507761 /nfs/dbraw/zinc/50/77/61/819507761.db2.gz NRWAVTQESPZQDY-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001036113742 819689776 /nfs/dbraw/zinc/68/97/76/819689776.db2.gz SSMGHRLDOTXLEL-OCCSQVGLSA-N 2 1 274.368 0.651 20 30 CCEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165453 819961343 /nfs/dbraw/zinc/96/13/43/819961343.db2.gz GKYRYDIQHZJXTN-INIZCTEOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165453 819961349 /nfs/dbraw/zinc/96/13/49/819961349.db2.gz GKYRYDIQHZJXTN-INIZCTEOSA-N 2 1 295.427 0.559 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001080782549 820637534 /nfs/dbraw/zinc/63/75/34/820637534.db2.gz QHOMUESIESBIFM-TZMCWYRMSA-N 2 1 274.368 0.422 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001080782581 820637589 /nfs/dbraw/zinc/63/75/89/820637589.db2.gz RRFCQABNLBCLNZ-TZMCWYRMSA-N 2 1 276.384 0.975 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084831511 821404230 /nfs/dbraw/zinc/40/42/30/821404230.db2.gz OHTJIOBNADNOCP-HUUCEWRRSA-N 2 1 275.396 0.638 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001085229714 821629902 /nfs/dbraw/zinc/62/99/02/821629902.db2.gz GMOBEZQVLUEVMC-OAGGEKHMSA-N 2 1 287.407 0.734 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001085229714 821629907 /nfs/dbraw/zinc/62/99/07/821629907.db2.gz GMOBEZQVLUEVMC-OAGGEKHMSA-N 2 1 287.407 0.734 20 30 CCEDMP CC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085972646 822046422 /nfs/dbraw/zinc/04/64/22/822046422.db2.gz FIIBEEPHHWQWMK-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085972646 822046432 /nfs/dbraw/zinc/04/64/32/822046432.db2.gz FIIBEEPHHWQWMK-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085972646 822046442 /nfs/dbraw/zinc/04/64/42/822046442.db2.gz FIIBEEPHHWQWMK-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085972646 822046452 /nfs/dbraw/zinc/04/64/52/822046452.db2.gz FIIBEEPHHWQWMK-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085972646 822046460 /nfs/dbraw/zinc/04/64/60/822046460.db2.gz FIIBEEPHHWQWMK-UONOGXRCSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085982171 822053145 /nfs/dbraw/zinc/05/31/45/822053145.db2.gz DEPMPRDCGXEKMS-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001085982171 822053149 /nfs/dbraw/zinc/05/31/49/822053149.db2.gz DEPMPRDCGXEKMS-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085982171 822053154 /nfs/dbraw/zinc/05/31/54/822053154.db2.gz DEPMPRDCGXEKMS-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085982171 822053158 /nfs/dbraw/zinc/05/31/58/822053158.db2.gz DEPMPRDCGXEKMS-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001086197754 822151078 /nfs/dbraw/zinc/15/10/78/822151078.db2.gz ZMGQXNLJQYDZTP-FQUUOJAGSA-N 2 1 263.385 0.302 20 30 CCEDMP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100079037 822244983 /nfs/dbraw/zinc/24/49/83/822244983.db2.gz SLDLGXJTEKVFHJ-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100079037 822244991 /nfs/dbraw/zinc/24/49/91/822244991.db2.gz SLDLGXJTEKVFHJ-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100079037 822244999 /nfs/dbraw/zinc/24/49/99/822244999.db2.gz SLDLGXJTEKVFHJ-KGLIPLIRSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100083125 822255098 /nfs/dbraw/zinc/25/50/98/822255098.db2.gz NPCHEFHSPDLUQI-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100083080 822255134 /nfs/dbraw/zinc/25/51/34/822255134.db2.gz MVBCNNONSXBRSF-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1 ZINC001129771376 837558540 /nfs/dbraw/zinc/55/85/40/837558540.db2.gz WTEBUHNLRNQXEE-INIZCTEOSA-N 2 1 285.391 0.990 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1 ZINC001129771376 837558547 /nfs/dbraw/zinc/55/85/47/837558547.db2.gz WTEBUHNLRNQXEE-INIZCTEOSA-N 2 1 285.391 0.990 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCOC(C)C ZINC001129771167 837558980 /nfs/dbraw/zinc/55/89/80/837558980.db2.gz SJNAHSZOGDMVLE-HNNXBMFYSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCOC(C)C ZINC001129771167 837558993 /nfs/dbraw/zinc/55/89/93/837558993.db2.gz SJNAHSZOGDMVLE-HNNXBMFYSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130188811 837716763 /nfs/dbraw/zinc/71/67/63/837716763.db2.gz KILMJQUXIPJOSB-KGLIPLIRSA-N 2 1 263.385 0.732 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130187067 837716841 /nfs/dbraw/zinc/71/68/41/837716841.db2.gz OECRUOLAAAXXAA-HUUCEWRRSA-N 2 1 293.411 0.359 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183648655 844055509 /nfs/dbraw/zinc/05/55/09/844055509.db2.gz XOLQETTXUYIYEJ-KGLIPLIRSA-N 2 1 263.385 0.685 20 30 CCEDMP C#CC[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129339666 836392233 /nfs/dbraw/zinc/39/22/33/836392233.db2.gz IUFGFWMEIPQTKM-ZDUSSCGKSA-N 2 1 251.374 0.303 20 30 CCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090490056 837888919 /nfs/dbraw/zinc/88/89/19/837888919.db2.gz QIZYVXMVYPPRPP-UONOGXRCSA-N 2 1 293.411 0.045 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090490056 837888933 /nfs/dbraw/zinc/88/89/33/837888933.db2.gz QIZYVXMVYPPRPP-UONOGXRCSA-N 2 1 293.411 0.045 20 30 CCEDMP CCOC(=O)C1C[NH2+]CC=C1Nc1cc[nH+]c(CC#N)c1 ZINC001170521420 837951785 /nfs/dbraw/zinc/95/17/85/837951785.db2.gz VMHXZDGWMLUROJ-UHFFFAOYSA-N 2 1 286.335 0.792 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380480 838077265 /nfs/dbraw/zinc/07/72/65/838077265.db2.gz NCEBILIBUVWJSQ-UHFFFAOYSA-N 2 1 266.345 0.100 20 30 CCEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525945 838127731 /nfs/dbraw/zinc/12/77/31/838127731.db2.gz RIBPHQDGMRPWLX-MBHSVXNSSA-N 2 1 299.802 0.308 20 30 CCEDMP COCC#CC[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896905 838769404 /nfs/dbraw/zinc/76/94/04/838769404.db2.gz UQAOCZMOQSNEDM-UHFFFAOYSA-N 2 1 281.400 0.074 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090538413 839625975 /nfs/dbraw/zinc/62/59/75/839625975.db2.gz QUMHVFPUGWLYNP-GJZGRUSLSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCN1CCC[C@@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C1=O ZINC001246362210 839818694 /nfs/dbraw/zinc/81/86/94/839818694.db2.gz KQDCXYDOGRFTHC-FRRDWIJNSA-N 2 1 251.374 0.894 20 30 CCEDMP C=CCOCC[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147885270 840700802 /nfs/dbraw/zinc/70/08/02/840700802.db2.gz LDAKKUQIBVELBC-CYBMUJFWSA-N 2 1 269.389 0.237 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086880492 840934360 /nfs/dbraw/zinc/93/43/60/840934360.db2.gz BXYTXEMYNAXWNB-ZNMIVQPWSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086880492 840934368 /nfs/dbraw/zinc/93/43/68/840934368.db2.gz BXYTXEMYNAXWNB-ZNMIVQPWSA-N 2 1 293.411 0.215 20 30 CCEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093132941 841152623 /nfs/dbraw/zinc/15/26/23/841152623.db2.gz HQKLONDYAHSFFG-ZIAGYGMSSA-N 2 1 277.412 0.952 20 30 CCEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)Cc3ncc[nH]3)CC[C@H]21 ZINC001036855285 841383256 /nfs/dbraw/zinc/38/32/56/841383256.db2.gz YOTFWNDGRILAFZ-UONOGXRCSA-N 2 1 286.379 0.898 20 30 CCEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180125059 843109308 /nfs/dbraw/zinc/10/93/08/843109308.db2.gz ZTACKYFGPHOLDW-ZNMIVQPWSA-N 2 1 293.411 0.167 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001273467528 843302864 /nfs/dbraw/zinc/30/28/64/843302864.db2.gz UKURJUITXWOUGE-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183288178 844005679 /nfs/dbraw/zinc/00/56/79/844005679.db2.gz BGNOLYROQOHBCZ-CYBMUJFWSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001187329787 844694908 /nfs/dbraw/zinc/69/49/08/844694908.db2.gz VWHRMQFUHLEWOU-CYBMUJFWSA-N 2 1 251.374 0.542 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151738292 844995439 /nfs/dbraw/zinc/99/54/39/844995439.db2.gz HMCXTFHDMYBRFG-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151738292 844995444 /nfs/dbraw/zinc/99/54/44/844995444.db2.gz HMCXTFHDMYBRFG-CYBMUJFWSA-N 2 1 269.389 0.379 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151737789 844996341 /nfs/dbraw/zinc/99/63/41/844996341.db2.gz FJNSZVSGRBIKCY-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151737789 844996348 /nfs/dbraw/zinc/99/63/48/844996348.db2.gz FJNSZVSGRBIKCY-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964099 845010337 /nfs/dbraw/zinc/01/03/37/845010337.db2.gz UWQZRJPCHMFBDF-UONOGXRCSA-N 2 1 275.396 0.494 20 30 CCEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039355 845778983 /nfs/dbraw/zinc/77/89/83/845778983.db2.gz XZDDTKHEXQFTTI-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192353217 845825840 /nfs/dbraw/zinc/82/58/40/845825840.db2.gz BRKGBISQBQCHEO-CABCVRRESA-N 2 1 277.412 0.884 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2cncn2C)C1 ZINC001193797360 846156460 /nfs/dbraw/zinc/15/64/60/846156460.db2.gz VLPOQCUPUPQGTG-HNNXBMFYSA-N 2 1 288.395 0.909 20 30 CCEDMP CC#CCN(C)[C@H]1CCN(C(=O)CCc2cncn2C)C1 ZINC001193797360 846156461 /nfs/dbraw/zinc/15/64/61/846156461.db2.gz VLPOQCUPUPQGTG-HNNXBMFYSA-N 2 1 288.395 0.909 20 30 CCEDMP C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193820923 846159706 /nfs/dbraw/zinc/15/97/06/846159706.db2.gz ADUIKOMYFMCTAQ-ZIAGYGMSSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193820923 846159711 /nfs/dbraw/zinc/15/97/11/846159711.db2.gz ADUIKOMYFMCTAQ-ZIAGYGMSSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193820923 846159718 /nfs/dbraw/zinc/15/97/18/846159718.db2.gz ADUIKOMYFMCTAQ-ZIAGYGMSSA-N 2 1 281.400 0.208 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193820923 846159728 /nfs/dbraw/zinc/15/97/28/846159728.db2.gz ADUIKOMYFMCTAQ-ZIAGYGMSSA-N 2 1 281.400 0.208 20 30 CCEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194009449 846195936 /nfs/dbraw/zinc/19/59/36/846195936.db2.gz DFEGNWSITHDBQT-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194009449 846195941 /nfs/dbraw/zinc/19/59/41/846195941.db2.gz DFEGNWSITHDBQT-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194009449 846195945 /nfs/dbraw/zinc/19/59/45/846195945.db2.gz DFEGNWSITHDBQT-KGLIPLIRSA-N 2 1 263.385 0.494 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194235165 846245163 /nfs/dbraw/zinc/24/51/63/846245163.db2.gz GMMRGGAHEZISPD-VXGBXAGGSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194235165 846245175 /nfs/dbraw/zinc/24/51/75/846245175.db2.gz GMMRGGAHEZISPD-VXGBXAGGSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194235165 846245182 /nfs/dbraw/zinc/24/51/82/846245182.db2.gz GMMRGGAHEZISPD-VXGBXAGGSA-N 2 1 269.389 0.064 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194235165 846245190 /nfs/dbraw/zinc/24/51/90/846245190.db2.gz GMMRGGAHEZISPD-VXGBXAGGSA-N 2 1 269.389 0.064 20 30 CCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701945 846606264 /nfs/dbraw/zinc/60/62/64/846606264.db2.gz VHIKBPUUCPURBW-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197536503 846929370 /nfs/dbraw/zinc/92/93/70/846929370.db2.gz WACVVEVJGBMHPJ-RBSFLKMASA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197536503 846929380 /nfs/dbraw/zinc/92/93/80/846929380.db2.gz WACVVEVJGBMHPJ-RBSFLKMASA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197536503 846929387 /nfs/dbraw/zinc/92/93/87/846929387.db2.gz WACVVEVJGBMHPJ-RBSFLKMASA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCOCC[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198097896 847041988 /nfs/dbraw/zinc/04/19/88/847041988.db2.gz KZIWYCRTPYVTLO-UHFFFAOYSA-N 2 1 295.427 0.819 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023887 847202546 /nfs/dbraw/zinc/20/25/46/847202546.db2.gz RTORPEFOICUPQI-HUUCEWRRSA-N 2 1 295.427 0.600 20 30 CCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071335 847217448 /nfs/dbraw/zinc/21/74/48/847217448.db2.gz RUEZYVOYUIXVJR-ZIAGYGMSSA-N 2 1 281.400 0.210 20 30 CCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071335 847217456 /nfs/dbraw/zinc/21/74/56/847217456.db2.gz RUEZYVOYUIXVJR-ZIAGYGMSSA-N 2 1 281.400 0.210 20 30 CCEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943351 847475694 /nfs/dbraw/zinc/47/56/94/847475694.db2.gz IGOAMHOCCPDBTE-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943351 847475699 /nfs/dbraw/zinc/47/56/99/847475699.db2.gz IGOAMHOCCPDBTE-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057163 847851665 /nfs/dbraw/zinc/85/16/65/847851665.db2.gz DMQWGPYCJIIIMS-HUUCEWRRSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001275331580 848692370 /nfs/dbraw/zinc/69/23/70/848692370.db2.gz MPVOMLSYASHKAO-UHFFFAOYSA-N 2 1 265.401 0.834 20 30 CCEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001276002394 848887842 /nfs/dbraw/zinc/88/78/42/848887842.db2.gz KXNCBLBQCGJTIC-LSDHHAIUSA-N 2 1 297.443 0.967 20 30 CCEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111150869 849080210 /nfs/dbraw/zinc/08/02/10/849080210.db2.gz WCHIEKBRNMMODL-KFWWJZLASA-N 2 1 293.411 0.616 20 30 CCEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111150869 849080217 /nfs/dbraw/zinc/08/02/17/849080217.db2.gz WCHIEKBRNMMODL-KFWWJZLASA-N 2 1 293.411 0.616 20 30 CCEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC001041347830 850434448 /nfs/dbraw/zinc/43/44/48/850434448.db2.gz ZXAGVWYDUUHXBH-MRXNPFEDSA-N 2 1 286.379 0.900 20 30 CCEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041691957 850486813 /nfs/dbraw/zinc/48/68/13/850486813.db2.gz HPYMBIUYUJFEDO-HOCLYGCPSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3ccnc3)C[C@H]21 ZINC001042173123 850586697 /nfs/dbraw/zinc/58/66/97/850586697.db2.gz LVURTAMNOWHJMJ-LSDHHAIUSA-N 2 1 286.379 0.829 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001042758631 850753886 /nfs/dbraw/zinc/75/38/86/850753886.db2.gz NONMWCDQOHFMNP-ZFWWWQNUSA-N 2 1 293.411 0.568 20 30 CCEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001042758631 850753891 /nfs/dbraw/zinc/75/38/91/850753891.db2.gz NONMWCDQOHFMNP-ZFWWWQNUSA-N 2 1 293.411 0.568 20 30 CCEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046196156 851418496 /nfs/dbraw/zinc/41/84/96/851418496.db2.gz ACTDWHUJFATUJU-UKRRQHHQSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046196156 851418501 /nfs/dbraw/zinc/41/85/01/851418501.db2.gz ACTDWHUJFATUJU-UKRRQHHQSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046196156 851418504 /nfs/dbraw/zinc/41/85/04/851418504.db2.gz ACTDWHUJFATUJU-UKRRQHHQSA-N 2 1 263.385 0.685 20 30 CCEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046196156 851418511 /nfs/dbraw/zinc/41/85/11/851418511.db2.gz ACTDWHUJFATUJU-UKRRQHHQSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046415792 851495132 /nfs/dbraw/zinc/49/51/32/851495132.db2.gz RYABYMHGBNIWSW-IIAWOOMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046415792 851495137 /nfs/dbraw/zinc/49/51/37/851495137.db2.gz RYABYMHGBNIWSW-IIAWOOMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046415792 851495140 /nfs/dbraw/zinc/49/51/40/851495140.db2.gz RYABYMHGBNIWSW-IIAWOOMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046415792 851495144 /nfs/dbraw/zinc/49/51/44/851495144.db2.gz RYABYMHGBNIWSW-IIAWOOMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047597605 851829639 /nfs/dbraw/zinc/82/96/39/851829639.db2.gz AKIXLXIMJQTRNH-KKUMJFAQSA-N 2 1 295.427 0.408 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001047597605 851829645 /nfs/dbraw/zinc/82/96/45/851829645.db2.gz AKIXLXIMJQTRNH-KKUMJFAQSA-N 2 1 295.427 0.408 20 30 CCEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047597605 851829651 /nfs/dbraw/zinc/82/96/51/851829651.db2.gz AKIXLXIMJQTRNH-KKUMJFAQSA-N 2 1 295.427 0.408 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047596611 851829832 /nfs/dbraw/zinc/82/98/32/851829832.db2.gz UJGSEVKGUCBKDR-KKUMJFAQSA-N 2 1 295.427 0.408 20 30 CCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001047596611 851829835 /nfs/dbraw/zinc/82/98/35/851829835.db2.gz UJGSEVKGUCBKDR-KKUMJFAQSA-N 2 1 295.427 0.408 20 30 CCEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047596611 851829843 /nfs/dbraw/zinc/82/98/43/851829843.db2.gz UJGSEVKGUCBKDR-KKUMJFAQSA-N 2 1 295.427 0.408 20 30 CCEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001329398250 903700322 /nfs/dbraw/zinc/70/03/22/903700322.db2.gz SKGSHLZCKFAMOW-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001329398250 903700330 /nfs/dbraw/zinc/70/03/30/903700330.db2.gz SKGSHLZCKFAMOW-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001329398250 903700337 /nfs/dbraw/zinc/70/03/37/903700337.db2.gz SKGSHLZCKFAMOW-STQMWFEESA-N 2 1 251.374 0.540 20 30 CCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001096887976 852462496 /nfs/dbraw/zinc/46/24/96/852462496.db2.gz YQESYDHIVISLHQ-KBXIAJHMSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001096887976 852462499 /nfs/dbraw/zinc/46/24/99/852462499.db2.gz YQESYDHIVISLHQ-KBXIAJHMSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001096887976 852462504 /nfs/dbraw/zinc/46/25/04/852462504.db2.gz YQESYDHIVISLHQ-KBXIAJHMSA-N 2 1 275.396 0.825 20 30 CCEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001096887976 852462508 /nfs/dbraw/zinc/46/25/08/852462508.db2.gz YQESYDHIVISLHQ-KBXIAJHMSA-N 2 1 275.396 0.825 20 30 CCEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001052948437 852675077 /nfs/dbraw/zinc/67/50/77/852675077.db2.gz GATYMHMXOFIXNU-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052948437 852675081 /nfs/dbraw/zinc/67/50/81/852675081.db2.gz GATYMHMXOFIXNU-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052948437 852675083 /nfs/dbraw/zinc/67/50/83/852675083.db2.gz GATYMHMXOFIXNU-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052948437 852675087 /nfs/dbraw/zinc/67/50/87/852675087.db2.gz GATYMHMXOFIXNU-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCN1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001053531054 852753397 /nfs/dbraw/zinc/75/33/97/852753397.db2.gz LVHRAHGBUMVKPH-AWEZNQCLSA-N 2 1 293.411 0.427 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050075314 853310663 /nfs/dbraw/zinc/31/06/63/853310663.db2.gz BMJHLYCOIXCOSN-RRFJBIMHSA-N 2 1 277.412 0.883 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC#C)CC2 ZINC001050550281 853397355 /nfs/dbraw/zinc/39/73/55/853397355.db2.gz KEBSXEXYOIBZOI-INIZCTEOSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC#C)CC2 ZINC001050550281 853397363 /nfs/dbraw/zinc/39/73/63/853397363.db2.gz KEBSXEXYOIBZOI-INIZCTEOSA-N 2 1 299.418 0.642 20 30 CCEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001072981407 854507874 /nfs/dbraw/zinc/50/78/74/854507874.db2.gz HEUGWJLSKPLQQU-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001072981407 854507879 /nfs/dbraw/zinc/50/78/79/854507879.db2.gz HEUGWJLSKPLQQU-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001072981407 854507886 /nfs/dbraw/zinc/50/78/86/854507886.db2.gz HEUGWJLSKPLQQU-AWEZNQCLSA-N 2 1 275.396 0.496 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073447113 854559704 /nfs/dbraw/zinc/55/97/04/854559704.db2.gz FJJMTMRNPDVTMZ-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073447113 854559709 /nfs/dbraw/zinc/55/97/09/854559709.db2.gz FJJMTMRNPDVTMZ-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447113 854559716 /nfs/dbraw/zinc/55/97/16/854559716.db2.gz FJJMTMRNPDVTMZ-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447113 854559723 /nfs/dbraw/zinc/55/97/23/854559723.db2.gz FJJMTMRNPDVTMZ-CQSZACIVSA-N 2 1 293.411 0.427 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073555077 854593391 /nfs/dbraw/zinc/59/33/91/854593391.db2.gz VALGAJJACDPYCQ-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073555077 854593397 /nfs/dbraw/zinc/59/33/97/854593397.db2.gz VALGAJJACDPYCQ-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001073555077 854593402 /nfs/dbraw/zinc/59/34/02/854593402.db2.gz VALGAJJACDPYCQ-CABCVRRESA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073890543 854659464 /nfs/dbraw/zinc/65/94/64/854659464.db2.gz GBVYLCJAWMPBQM-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073890543 854659468 /nfs/dbraw/zinc/65/94/68/854659468.db2.gz GBVYLCJAWMPBQM-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073890543 854659470 /nfs/dbraw/zinc/65/94/70/854659470.db2.gz GBVYLCJAWMPBQM-GJZGRUSLSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001075111805 854813977 /nfs/dbraw/zinc/81/39/77/854813977.db2.gz WRWZFKCKFLQCQX-ILXRZTDVSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001099159900 854918367 /nfs/dbraw/zinc/91/83/67/854918367.db2.gz LQCUHDIEPZKYPY-VYDXJSESSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001099159900 854918368 /nfs/dbraw/zinc/91/83/68/854918368.db2.gz LQCUHDIEPZKYPY-VYDXJSESSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001099159900 854918369 /nfs/dbraw/zinc/91/83/69/854918369.db2.gz LQCUHDIEPZKYPY-VYDXJSESSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099528741 854935364 /nfs/dbraw/zinc/93/53/64/854935364.db2.gz IUVGAHPGFXCASS-JJXSEGSLSA-N 2 1 289.423 0.740 20 30 CCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099878940 855016916 /nfs/dbraw/zinc/01/69/16/855016916.db2.gz BVDMYUCWCKUIQO-CABCVRRESA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099878940 855016918 /nfs/dbraw/zinc/01/69/18/855016918.db2.gz BVDMYUCWCKUIQO-CABCVRRESA-N 2 1 293.411 0.045 20 30 CCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099878940 855016924 /nfs/dbraw/zinc/01/69/24/855016924.db2.gz BVDMYUCWCKUIQO-CABCVRRESA-N 2 1 293.411 0.045 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099874350 855017076 /nfs/dbraw/zinc/01/70/76/855017076.db2.gz JWJMBNOOPJSUJQ-UONOGXRCSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099899990 855024295 /nfs/dbraw/zinc/02/42/95/855024295.db2.gz ZOEYTBQCBJZBOP-KGLIPLIRSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899990 855024301 /nfs/dbraw/zinc/02/43/01/855024301.db2.gz ZOEYTBQCBJZBOP-KGLIPLIRSA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899990 855024306 /nfs/dbraw/zinc/02/43/06/855024306.db2.gz ZOEYTBQCBJZBOP-KGLIPLIRSA-N 2 1 297.443 0.844 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099969581 855055734 /nfs/dbraw/zinc/05/57/34/855055734.db2.gz KSUZSQXQARWFBA-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971679 855056736 /nfs/dbraw/zinc/05/67/36/855056736.db2.gz LAMQKQDQQJQDHR-KBPBESRZSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081611 855095237 /nfs/dbraw/zinc/09/52/37/855095237.db2.gz VNDLIOMGIAQNJR-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP CC#CC[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100873186 855232896 /nfs/dbraw/zinc/23/28/96/855232896.db2.gz XRLHWLASFLLGCW-NFOMZHRRSA-N 2 1 277.412 0.836 20 30 CCEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100981001 855251563 /nfs/dbraw/zinc/25/15/63/855251563.db2.gz QFOAJAUMRGLDJM-SHARSMKWSA-N 2 1 295.427 0.625 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001100989303 855251727 /nfs/dbraw/zinc/25/17/27/855251727.db2.gz SFWNRTNXIJKASF-UHFFFAOYSA-N 2 1 274.368 0.699 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102050126 855411689 /nfs/dbraw/zinc/41/16/89/855411689.db2.gz WBDDTZAMNSAYIZ-ZIAGYGMSSA-N 2 1 277.412 0.788 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513562 855442114 /nfs/dbraw/zinc/44/21/14/855442114.db2.gz QEURCDPMVIMLAD-HUUCEWRRSA-N 2 1 295.427 0.272 20 30 CCEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211072977 891580880 /nfs/dbraw/zinc/58/08/80/891580880.db2.gz XWJSVQBZLDUZAV-UONOGXRCSA-N 2 1 263.385 0.542 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001325864664 913616609 /nfs/dbraw/zinc/61/66/09/913616609.db2.gz HBRVIHIMNQDVJY-MRXNPFEDSA-N 2 1 293.411 0.211 20 30 CCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001325864663 913616692 /nfs/dbraw/zinc/61/66/92/913616692.db2.gz HBRVIHIMNQDVJY-INIZCTEOSA-N 2 1 293.411 0.211 20 30 CCEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481507435 892757376 /nfs/dbraw/zinc/75/73/76/892757376.db2.gz YICPHUKFHZRYJT-GJZGRUSLSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001481507435 892757380 /nfs/dbraw/zinc/75/73/80/892757380.db2.gz YICPHUKFHZRYJT-GJZGRUSLSA-N 2 1 277.412 0.742 20 30 CCEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481507435 892757386 /nfs/dbraw/zinc/75/73/86/892757386.db2.gz YICPHUKFHZRYJT-GJZGRUSLSA-N 2 1 277.412 0.742 20 30 CCEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)Cc2cncn2C)C1 ZINC001482202791 893533791 /nfs/dbraw/zinc/53/37/91/893533791.db2.gz LUWBZBMBOOJZLN-CQSZACIVSA-N 2 1 292.383 0.356 20 30 CCEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)Cc2cncn2C)C1 ZINC001482202791 893533803 /nfs/dbraw/zinc/53/38/03/893533803.db2.gz LUWBZBMBOOJZLN-CQSZACIVSA-N 2 1 292.383 0.356 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001482321031 893851341 /nfs/dbraw/zinc/85/13/41/893851341.db2.gz YNSIDZCIMZOGDU-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001271289673 894111013 /nfs/dbraw/zinc/11/10/13/894111013.db2.gz SGXIASRFUJIDTL-ZIAGYGMSSA-N 2 1 295.427 0.456 20 30 CCEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001271289673 894111015 /nfs/dbraw/zinc/11/10/15/894111015.db2.gz SGXIASRFUJIDTL-ZIAGYGMSSA-N 2 1 295.427 0.456 20 30 CCEDMP CC#CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483597905 895672774 /nfs/dbraw/zinc/67/27/74/895672774.db2.gz DLJRPMRBIMDGAG-HIFRSBDPSA-N 2 1 277.412 0.836 20 30 CCEDMP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484252887 896288973 /nfs/dbraw/zinc/28/89/73/896288973.db2.gz XXJBEDCKJSTLSF-HIFRSBDPSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)Cc2cnc[nH]2)C1 ZINC001485523826 897104370 /nfs/dbraw/zinc/10/43/70/897104370.db2.gz MZBUWSHYAKDOJS-LLVKDONJSA-N 2 1 262.357 0.965 20 30 CCEDMP C#CCN1CC[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272809021 897775279 /nfs/dbraw/zinc/77/52/79/897775279.db2.gz VNARJYALGQLVSQ-INIZCTEOSA-N 2 1 284.363 0.552 20 30 CCEDMP C#CCN1CC[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272809021 897775289 /nfs/dbraw/zinc/77/52/89/897775289.db2.gz VNARJYALGQLVSQ-INIZCTEOSA-N 2 1 284.363 0.552 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)[C@H](OC)C1 ZINC001212385572 897783321 /nfs/dbraw/zinc/78/33/21/897783321.db2.gz PDJUTIDYOZYHQL-ZIAGYGMSSA-N 2 1 292.383 0.734 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001032626241 897844979 /nfs/dbraw/zinc/84/49/79/897844979.db2.gz CAZBHWAKBZGRMN-ILXRZTDVSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001032626241 897844988 /nfs/dbraw/zinc/84/49/88/897844988.db2.gz CAZBHWAKBZGRMN-ILXRZTDVSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032626241 897844996 /nfs/dbraw/zinc/84/49/96/897844996.db2.gz CAZBHWAKBZGRMN-ILXRZTDVSA-N 2 1 275.396 0.779 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032626241 897845008 /nfs/dbraw/zinc/84/50/08/897845008.db2.gz CAZBHWAKBZGRMN-ILXRZTDVSA-N 2 1 275.396 0.779 20 30 CCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418680 897906105 /nfs/dbraw/zinc/90/61/05/897906105.db2.gz MLHFCENVCJXVHT-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418680 897906116 /nfs/dbraw/zinc/90/61/16/897906116.db2.gz MLHFCENVCJXVHT-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418680 897906127 /nfs/dbraw/zinc/90/61/27/897906127.db2.gz MLHFCENVCJXVHT-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418680 897906138 /nfs/dbraw/zinc/90/61/38/897906138.db2.gz MLHFCENVCJXVHT-HUUCEWRRSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485875721 898482123 /nfs/dbraw/zinc/48/21/23/898482123.db2.gz BICKEEYBOSHBAY-MGPQQGTHSA-N 2 1 265.401 0.786 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001486278185 898737795 /nfs/dbraw/zinc/73/77/95/898737795.db2.gz LXMZPEVOKQNDQP-QLFBSQMISA-N 2 1 297.443 0.702 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001490828494 902036181 /nfs/dbraw/zinc/03/61/81/902036181.db2.gz APEQYAXCILMXQO-KBPBESRZSA-N 2 1 281.375 0.634 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001490828494 902036187 /nfs/dbraw/zinc/03/61/87/902036187.db2.gz APEQYAXCILMXQO-KBPBESRZSA-N 2 1 281.375 0.634 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]C/C=C\Cl ZINC001491487345 903621800 /nfs/dbraw/zinc/62/18/00/903621800.db2.gz ZTUZJMHGOPADHT-REPZICSESA-N 2 1 283.803 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]C/C=C\Cl ZINC001491487345 903621809 /nfs/dbraw/zinc/62/18/09/903621809.db2.gz ZTUZJMHGOPADHT-REPZICSESA-N 2 1 283.803 0.931 20 30 CCEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064257 903832901 /nfs/dbraw/zinc/83/29/01/903832901.db2.gz LOQMGGJDCPOPIG-LSDHHAIUSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001281967077 904377600 /nfs/dbraw/zinc/37/76/00/904377600.db2.gz FELJQCKPIBOPEJ-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001282057441 904400825 /nfs/dbraw/zinc/40/08/25/904400825.db2.gz LRJAPKBTESJMGD-HSBZDZAISA-N 2 1 263.385 0.446 20 30 CCEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#CCOC ZINC001282215205 904434522 /nfs/dbraw/zinc/43/45/22/904434522.db2.gz QQQGLAYPFYEJKI-ZIAGYGMSSA-N 2 1 283.416 0.461 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001378536285 905668402 /nfs/dbraw/zinc/66/84/02/905668402.db2.gz FBSXKLQMGWBLQI-CMPLNLGQSA-N 2 1 289.807 0.411 20 30 CCEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001378536285 905668410 /nfs/dbraw/zinc/66/84/10/905668410.db2.gz FBSXKLQMGWBLQI-CMPLNLGQSA-N 2 1 289.807 0.411 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001492143939 907719499 /nfs/dbraw/zinc/71/94/99/907719499.db2.gz NRSZWIDOOOSFLI-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001492143939 907719505 /nfs/dbraw/zinc/71/95/05/907719505.db2.gz NRSZWIDOOOSFLI-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492143939 907719510 /nfs/dbraw/zinc/71/95/10/907719510.db2.gz NRSZWIDOOOSFLI-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492143939 907719515 /nfs/dbraw/zinc/71/95/15/907719515.db2.gz NRSZWIDOOOSFLI-LSDHHAIUSA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317344154 908165537 /nfs/dbraw/zinc/16/55/37/908165537.db2.gz QAUHXGLPNRNNQX-KGLIPLIRSA-N 2 1 263.385 0.400 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317536350 908635118 /nfs/dbraw/zinc/63/51/18/908635118.db2.gz YJFZBLKBODZZNY-OAHLLOKOSA-N 2 1 277.412 0.790 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317322874 909143866 /nfs/dbraw/zinc/14/38/66/909143866.db2.gz QQEGWTRZCYCLPC-HUUCEWRRSA-N 2 1 277.412 0.931 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001317345378 909151131 /nfs/dbraw/zinc/15/11/31/909151131.db2.gz ZRCODWQPPHCEFE-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP C=CCCC[N@H+](CCNC(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC001317551471 909323248 /nfs/dbraw/zinc/32/32/48/909323248.db2.gz XGSSXQGEPSCREJ-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317551471 909323265 /nfs/dbraw/zinc/32/32/65/909323265.db2.gz XGSSXQGEPSCREJ-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317551471 909323281 /nfs/dbraw/zinc/32/32/81/909323281.db2.gz XGSSXQGEPSCREJ-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001317551471 909323295 /nfs/dbraw/zinc/32/32/95/909323295.db2.gz XGSSXQGEPSCREJ-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CCCC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001317551471 909323311 /nfs/dbraw/zinc/32/33/11/909323311.db2.gz XGSSXQGEPSCREJ-HNNXBMFYSA-N 2 1 295.427 0.864 20 30 CCEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001317677476 909464082 /nfs/dbraw/zinc/46/40/82/909464082.db2.gz PDMRZPYSJUUFSX-DZGCQCFKSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001317677476 909464095 /nfs/dbraw/zinc/46/40/95/909464095.db2.gz PDMRZPYSJUUFSX-DZGCQCFKSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317808785 909506810 /nfs/dbraw/zinc/50/68/10/909506810.db2.gz HTQBCLCMRYYIMI-KBPBESRZSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001317840798 909520957 /nfs/dbraw/zinc/52/09/57/909520957.db2.gz VHMFOLPWXNDGMK-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001317840798 909520973 /nfs/dbraw/zinc/52/09/73/909520973.db2.gz VHMFOLPWXNDGMK-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317840798 909520990 /nfs/dbraw/zinc/52/09/90/909520990.db2.gz VHMFOLPWXNDGMK-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001317861877 909527707 /nfs/dbraw/zinc/52/77/07/909527707.db2.gz FHHBSFDGUNLXNR-HUUCEWRRSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001317861877 909527720 /nfs/dbraw/zinc/52/77/20/909527720.db2.gz FHHBSFDGUNLXNR-HUUCEWRRSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001317861877 909527731 /nfs/dbraw/zinc/52/77/31/909527731.db2.gz FHHBSFDGUNLXNR-HUUCEWRRSA-N 2 1 295.427 0.673 20 30 CCEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001317861877 909527742 /nfs/dbraw/zinc/52/77/42/909527742.db2.gz FHHBSFDGUNLXNR-HUUCEWRRSA-N 2 1 295.427 0.673 20 30 CCEDMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#CCOC ZINC001318507444 909786959 /nfs/dbraw/zinc/78/69/59/909786959.db2.gz RAZSWVPKYZJVLK-ZIAGYGMSSA-N 2 1 281.400 0.215 20 30 CCEDMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001319621335 910233928 /nfs/dbraw/zinc/23/39/28/910233928.db2.gz WNNIPCBGFGKVOE-HOTGVXAUSA-N 2 1 289.423 0.838 20 30 CCEDMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001319621335 910233939 /nfs/dbraw/zinc/23/39/39/910233939.db2.gz WNNIPCBGFGKVOE-HOTGVXAUSA-N 2 1 289.423 0.838 20 30 CCEDMP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001321010708 911010303 /nfs/dbraw/zinc/01/03/03/911010303.db2.gz AYEPUAFJRQLFRB-SZZPACECSA-N 2 1 267.373 0.155 20 30 CCEDMP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001321010708 911010320 /nfs/dbraw/zinc/01/03/20/911010320.db2.gz AYEPUAFJRQLFRB-SZZPACECSA-N 2 1 267.373 0.155 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001321867648 911541217 /nfs/dbraw/zinc/54/12/17/911541217.db2.gz RSFANXNGYXZSEN-UONOGXRCSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC#C ZINC001322173976 911695454 /nfs/dbraw/zinc/69/54/54/911695454.db2.gz CUDYJVNOMUDVJJ-KGLIPLIRSA-N 2 1 261.369 0.154 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001322173976 911695483 /nfs/dbraw/zinc/69/54/83/911695483.db2.gz CUDYJVNOMUDVJJ-KGLIPLIRSA-N 2 1 261.369 0.154 20 30 CCEDMP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001322173976 911695497 /nfs/dbraw/zinc/69/54/97/911695497.db2.gz CUDYJVNOMUDVJJ-KGLIPLIRSA-N 2 1 261.369 0.154 20 30 CCEDMP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001322173976 911695507 /nfs/dbraw/zinc/69/55/07/911695507.db2.gz CUDYJVNOMUDVJJ-KGLIPLIRSA-N 2 1 261.369 0.154 20 30 CCEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001322452775 911810088 /nfs/dbraw/zinc/81/00/88/911810088.db2.gz SXWRNKHVQWSCPJ-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001322452775 911810098 /nfs/dbraw/zinc/81/00/98/911810098.db2.gz SXWRNKHVQWSCPJ-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001331842654 917656551 /nfs/dbraw/zinc/65/65/51/917656551.db2.gz QMWMYIRYTPCONB-QWHCGFSZSA-N 2 1 269.389 0.114 20 30 CCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001332217487 917962988 /nfs/dbraw/zinc/96/29/88/917962988.db2.gz HOQSUSGLRGVYFV-ZIAGYGMSSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001332217487 917962999 /nfs/dbraw/zinc/96/29/99/917962999.db2.gz HOQSUSGLRGVYFV-ZIAGYGMSSA-N 2 1 265.401 0.929 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001332217487 917963008 /nfs/dbraw/zinc/96/30/08/917963008.db2.gz HOQSUSGLRGVYFV-ZIAGYGMSSA-N 2 1 265.401 0.929 20 30 CCEDMP C=C(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001332678652 918377125 /nfs/dbraw/zinc/37/71/25/918377125.db2.gz QYMCGDZNCUVAGN-HNNXBMFYSA-N 2 1 297.443 0.800 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001335540093 920262116 /nfs/dbraw/zinc/26/21/16/920262116.db2.gz WQZCOVYSTPRUTR-ZFWWWQNUSA-N 2 1 278.400 0.464 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001336098979 920606982 /nfs/dbraw/zinc/60/69/82/920606982.db2.gz DVFVFMSUYSYWDA-UHFFFAOYSA-N 2 1 296.415 0.091 20 30 CCEDMP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001336801189 921019147 /nfs/dbraw/zinc/01/91/47/921019147.db2.gz WDUIUPCXAWNQOP-DGCLKSJQSA-N 2 1 257.378 0.189 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(CC)CC1 ZINC001340112839 921963529 /nfs/dbraw/zinc/96/35/29/921963529.db2.gz PVEWBXWZUWNFHF-HNNXBMFYSA-N 2 1 296.459 0.814 20 30 CCEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001346210579 924112226 /nfs/dbraw/zinc/11/22/26/924112226.db2.gz WBMWNJRNCRXXRZ-KKUMJFAQSA-N 2 1 295.427 0.728 20 30 CCEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001480213922 925560878 /nfs/dbraw/zinc/56/08/78/925560878.db2.gz AAFPFMZTKREDDT-BETUJISGSA-N 2 1 260.341 0.452 20 30 CCEDMP C#CC[NH2+]CC(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC001353580934 925876116 /nfs/dbraw/zinc/87/61/16/925876116.db2.gz DEIFOEUVVISXPD-UHFFFAOYSA-N 2 1 263.385 0.686 20 30 CCEDMP C[C@@H](CCC#N)C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000602544665 362670812 /nfs/dbraw/zinc/67/08/12/362670812.db2.gz JFDJBHMRRGDZFO-JKSUJKDBSA-N 2 1 294.443 0.922 20 30 CCEDMP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000573123635 358940814 /nfs/dbraw/zinc/94/08/14/358940814.db2.gz LQOCYUQYHYGERC-RYUDHWBXSA-N 2 1 252.362 0.466 20 30 CCEDMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594440988 360309916 /nfs/dbraw/zinc/30/99/16/360309916.db2.gz KLVSOBADVASJLB-NEPJUHHUSA-N 2 1 252.362 0.608 20 30 CCEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000594440572 360310367 /nfs/dbraw/zinc/31/03/67/360310367.db2.gz FRQDGRAPRQESCD-GFCCVEGCSA-N 2 1 284.429 0.563 20 30 CCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1=O ZINC000631891361 370740748 /nfs/dbraw/zinc/74/07/48/370740748.db2.gz YCVPTHRGPFOQNJ-MCIONIFRSA-N 2 1 263.385 0.847 20 30 CCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1=O ZINC000631891361 370740751 /nfs/dbraw/zinc/74/07/51/370740751.db2.gz YCVPTHRGPFOQNJ-MCIONIFRSA-N 2 1 263.385 0.847 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166626427 802925788 /nfs/dbraw/zinc/92/57/88/802925788.db2.gz GPJAIWIRXXGHPO-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639760116 375982625 /nfs/dbraw/zinc/98/26/25/375982625.db2.gz BWVOIKVOFBTRJF-KGLIPLIRSA-N 2 1 256.390 0.702 20 30 CCEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639760116 375982627 /nfs/dbraw/zinc/98/26/27/375982627.db2.gz BWVOIKVOFBTRJF-KGLIPLIRSA-N 2 1 256.390 0.702 20 30 CCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641805920 377478622 /nfs/dbraw/zinc/47/86/22/377478622.db2.gz OTWLBNWHJGANQC-NWDGAFQWSA-N 2 1 251.374 0.902 20 30 CCEDMP C=CC[C@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000184262743 388771793 /nfs/dbraw/zinc/77/17/93/388771793.db2.gz LSSVWSSIPOAHFK-CQSZACIVSA-N 2 1 291.399 0.255 20 30 CCEDMP C=CCNC(=O)NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123695128 389157258 /nfs/dbraw/zinc/15/72/58/389157258.db2.gz YPAJFAPXYFMOQL-RYUDHWBXSA-N 2 1 282.388 0.413 20 30 CCEDMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000329528858 389168647 /nfs/dbraw/zinc/16/86/47/389168647.db2.gz SVBUFAKBPFIUGL-GFCCVEGCSA-N 2 1 284.404 0.041 20 30 CCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(F)cc1 ZINC000264073839 389305003 /nfs/dbraw/zinc/30/50/03/389305003.db2.gz GQUODKGTVGSQKT-UHFFFAOYSA-N 2 1 294.374 0.952 20 30 CCEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])N1CCOCC1 ZINC000264106200 389306972 /nfs/dbraw/zinc/30/69/72/389306972.db2.gz PRHPQBXZRZSARD-UHFFFAOYSA-N 2 1 251.334 0.229 20 30 CCEDMP CCCNC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000264132794 389308368 /nfs/dbraw/zinc/30/83/68/389308368.db2.gz YPOADLMKNUVBRN-UHFFFAOYSA-N 2 1 290.415 0.648 20 30 CCEDMP CC(C)[N@@H+](C)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000518299832 260371485 /nfs/dbraw/zinc/37/14/85/260371485.db2.gz KLCOWQNWZJUAKA-UHFFFAOYSA-N 2 1 252.362 0.431 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000490638639 261176599 /nfs/dbraw/zinc/17/65/99/261176599.db2.gz YZQZNFDOCZBTFV-CYBMUJFWSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@H]2C)CC1 ZINC000490638639 261176600 /nfs/dbraw/zinc/17/66/00/261176600.db2.gz YZQZNFDOCZBTFV-CYBMUJFWSA-N 2 1 263.385 0.494 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000491764396 262015592 /nfs/dbraw/zinc/01/55/92/262015592.db2.gz AGTBVVDHOJRPLN-CYBMUJFWSA-N 2 1 266.389 0.322 20 30 CCEDMP C=CCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272967107 328202263 /nfs/dbraw/zinc/20/22/63/328202263.db2.gz QCVQXJGWRWBLLW-OAHLLOKOSA-N 2 1 288.395 0.844 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)cn1 ZINC000278390582 328225019 /nfs/dbraw/zinc/22/50/19/328225019.db2.gz ZWQIVWURBXVCPR-ZDUSSCGKSA-N 2 1 291.399 0.979 20 30 CCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCOC1 ZINC000170908685 329072046 /nfs/dbraw/zinc/07/20/46/329072046.db2.gz WWJRYXQKGBVNTI-STQMWFEESA-N 2 1 268.405 0.802 20 30 CCEDMP C=CCNC(=O)[C@H](C)NC1CC[NH+](CCOC)CC1 ZINC000173644176 329150228 /nfs/dbraw/zinc/15/02/28/329150228.db2.gz CPQYYXOONPJQKF-LBPRGKRZSA-N 2 1 269.389 0.378 20 30 CCEDMP C[NH+](C)[C@]1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCSC1 ZINC000262498652 330017762 /nfs/dbraw/zinc/01/77/62/330017762.db2.gz XLBNMNNPEZGDEV-AAEUAGOBSA-N 2 1 286.445 0.507 20 30 CCEDMP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262501534 330018068 /nfs/dbraw/zinc/01/80/68/330018068.db2.gz YPFBIHGHKQWUCN-OLZOCXBDSA-N 2 1 268.405 0.896 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000262512789 330019082 /nfs/dbraw/zinc/01/90/82/330019082.db2.gz MLMXAYABOQQSMP-DGCLKSJQSA-N 2 1 286.445 0.243 20 30 CCEDMP C[NH+]=C(NC[C@@H]1CCOC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262860277 330035658 /nfs/dbraw/zinc/03/56/58/330035658.db2.gz YZJMIVCMRVWLIZ-STQMWFEESA-N 2 1 280.416 0.672 20 30 CCEDMP [NH2+]=C(NCC[NH+]1CCC(O)CC1)N1CCCCCC1 ZINC000263214842 330049583 /nfs/dbraw/zinc/04/95/83/330049583.db2.gz ZRELJUHFDLLHAE-UHFFFAOYSA-N 2 1 268.405 0.634 20 30 CCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000491203858 332165575 /nfs/dbraw/zinc/16/55/75/332165575.db2.gz ZZTKSHDPNOWBNL-CQSZACIVSA-N 2 1 265.401 0.790 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000491327599 332191359 /nfs/dbraw/zinc/19/13/59/332191359.db2.gz WVJHQSOTRGVREA-OAHLLOKOSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+](CCC)C1 ZINC000491327599 332191360 /nfs/dbraw/zinc/19/13/60/332191360.db2.gz WVJHQSOTRGVREA-OAHLLOKOSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+](CCC)C1 ZINC000491327599 332191361 /nfs/dbraw/zinc/19/13/61/332191361.db2.gz WVJHQSOTRGVREA-OAHLLOKOSA-N 2 1 294.443 0.973 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000491381523 332201072 /nfs/dbraw/zinc/20/10/72/332201072.db2.gz FXRTYGAVXVYTMK-KBPBESRZSA-N 2 1 278.400 0.192 20 30 CCEDMP C#CCNC(=O)CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000491544420 332234388 /nfs/dbraw/zinc/23/43/88/332234388.db2.gz LHGXCRYITRFJPT-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCNC(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000491544420 332234389 /nfs/dbraw/zinc/23/43/89/332234389.db2.gz LHGXCRYITRFJPT-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000491642906 332261959 /nfs/dbraw/zinc/26/19/59/332261959.db2.gz YUVYOYCONGWDSR-AGUYFDCRSA-N 2 1 263.385 0.731 20 30 CCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CC(C)(C)C[C@@H]2C)CC1 ZINC000491776473 332341951 /nfs/dbraw/zinc/34/19/51/332341951.db2.gz WBVDUEGPDGAGAG-AWEZNQCLSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000491809285 332362257 /nfs/dbraw/zinc/36/22/57/332362257.db2.gz XHKKOQKSCOZXLV-AWEZNQCLSA-N 2 1 280.416 0.630 20 30 CCEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000517521951 333101062 /nfs/dbraw/zinc/10/10/62/333101062.db2.gz HQEOHWDVOJJFMA-UHFFFAOYSA-N 2 1 266.389 0.678 20 30 CCEDMP CC#CCN(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665763822 545107277 /nfs/dbraw/zinc/10/72/77/545107277.db2.gz MYAIHIXUXSSGPT-AWEZNQCLSA-N 2 1 282.432 0.923 20 30 CCEDMP CC#CCN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665763822 545107278 /nfs/dbraw/zinc/10/72/78/545107278.db2.gz MYAIHIXUXSSGPT-AWEZNQCLSA-N 2 1 282.432 0.923 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000764622834 581773828 /nfs/dbraw/zinc/77/38/28/581773828.db2.gz DHBHFJCEONXFGY-UHFFFAOYSA-N 2 1 283.416 0.409 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1CC ZINC000883668165 613075208 /nfs/dbraw/zinc/07/52/08/613075208.db2.gz PCHTWCJPYQZGTM-ZDUSSCGKSA-N 2 1 266.389 0.335 20 30 CCEDMP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000981523840 612957364 /nfs/dbraw/zinc/95/73/64/612957364.db2.gz LGPIUFQIFRDNPB-ZIAGYGMSSA-N 2 1 274.368 0.842 20 30 CCEDMP C#CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000932387187 613107314 /nfs/dbraw/zinc/10/73/14/613107314.db2.gz AQEDPLNTKDRRCM-UHFFFAOYSA-N 2 1 251.374 0.494 20 30 CCEDMP C[C@@H](C#N)OCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000801936239 617297099 /nfs/dbraw/zinc/29/70/99/617297099.db2.gz QZGXYKKJSVUURY-AWEZNQCLSA-N 2 1 268.405 0.484 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000969169814 612963842 /nfs/dbraw/zinc/96/38/42/612963842.db2.gz IBWUOGRKDCCGBL-HUUCEWRRSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC1(O)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000880478543 612973601 /nfs/dbraw/zinc/97/36/01/612973601.db2.gz GVLBJQOMQBJJRT-CQSZACIVSA-N 2 1 266.385 0.293 20 30 CCEDMP C#CCOCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000851868137 612983674 /nfs/dbraw/zinc/98/36/74/612983674.db2.gz OWZLUVHHNMMXJB-SJPCQFCGSA-N 2 1 291.439 0.879 20 30 CCEDMP C#CCOCC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000819231014 612989364 /nfs/dbraw/zinc/98/93/64/612989364.db2.gz ORHXCAIIUXRRPA-MRXNPFEDSA-N 2 1 276.380 0.719 20 30 CCEDMP C#CCOCC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000819231014 612989366 /nfs/dbraw/zinc/98/93/66/612989366.db2.gz ORHXCAIIUXRRPA-MRXNPFEDSA-N 2 1 276.380 0.719 20 30 CCEDMP C#CCC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000847516617 612998802 /nfs/dbraw/zinc/99/88/02/612998802.db2.gz XVMOCZABPNSKBC-AWEZNQCLSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CCC[NH+]1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000931344478 613009122 /nfs/dbraw/zinc/00/91/22/613009122.db2.gz NWEQDWPVRNGOBQ-UHFFFAOYSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[C@@H](CCOC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000863589332 613022736 /nfs/dbraw/zinc/02/27/36/613022736.db2.gz MUILQKAVRKGOHC-JSGCOSHPSA-N 2 1 254.374 0.460 20 30 CCEDMP C#CC[C@@H](CCOC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000863589332 613022737 /nfs/dbraw/zinc/02/27/37/613022737.db2.gz MUILQKAVRKGOHC-JSGCOSHPSA-N 2 1 254.374 0.460 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000960576199 613044567 /nfs/dbraw/zinc/04/45/67/613044567.db2.gz GTICWOCMVZOEFU-BARDWOONSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC000960576199 613044569 /nfs/dbraw/zinc/04/45/69/613044569.db2.gz GTICWOCMVZOEFU-BARDWOONSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC000960576199 613044570 /nfs/dbraw/zinc/04/45/70/613044570.db2.gz GTICWOCMVZOEFU-BARDWOONSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CCN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000925346536 613068162 /nfs/dbraw/zinc/06/81/62/613068162.db2.gz CZLVQKBLHRLNCO-HIFRSBDPSA-N 2 1 292.427 0.818 20 30 CCEDMP C#CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC[NH+](C)CC1 ZINC000886581217 613068755 /nfs/dbraw/zinc/06/87/55/613068755.db2.gz OAIPXGMBGUUTNC-HNNXBMFYSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC[NH+](C)CC1 ZINC000886581217 613068757 /nfs/dbraw/zinc/06/87/57/613068757.db2.gz OAIPXGMBGUUTNC-HNNXBMFYSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC000852360377 613076165 /nfs/dbraw/zinc/07/61/65/613076165.db2.gz XTWCIJXRAQCUEM-CQSZACIVSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](CCC)C1 ZINC000852360377 613076166 /nfs/dbraw/zinc/07/61/66/613076166.db2.gz XTWCIJXRAQCUEM-CQSZACIVSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](CCC)C1 ZINC000852360377 613076168 /nfs/dbraw/zinc/07/61/68/613076168.db2.gz XTWCIJXRAQCUEM-CQSZACIVSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891920663 613076214 /nfs/dbraw/zinc/07/62/14/613076214.db2.gz CGMHKQZNYDBYAP-UKRRQHHQSA-N 2 1 278.400 0.525 20 30 CCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894862510 613078862 /nfs/dbraw/zinc/07/88/62/613078862.db2.gz CXGDJVOUWVHEPB-QWRGUYRKSA-N 2 1 274.311 0.585 20 30 CCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894862510 613078864 /nfs/dbraw/zinc/07/88/64/613078864.db2.gz CXGDJVOUWVHEPB-QWRGUYRKSA-N 2 1 274.311 0.585 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000971675832 613092382 /nfs/dbraw/zinc/09/23/82/613092382.db2.gz BQKPHHGALDGOKR-KBPBESRZSA-N 2 1 263.385 0.493 20 30 CCEDMP C#CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000932387187 613107313 /nfs/dbraw/zinc/10/73/13/613107313.db2.gz AQEDPLNTKDRRCM-UHFFFAOYSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000855360070 613128613 /nfs/dbraw/zinc/12/86/13/613128613.db2.gz BLPZYIJCRCRJIN-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000928648861 613133344 /nfs/dbraw/zinc/13/33/44/613133344.db2.gz SPKXKSLTSLXNOY-ZDUSSCGKSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CC)C2)CC1 ZINC000922906921 613134759 /nfs/dbraw/zinc/13/47/59/613134759.db2.gz FVGQVOFOSQATIF-CQSZACIVSA-N 2 1 278.400 0.477 20 30 CCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000928648343 613136778 /nfs/dbraw/zinc/13/67/78/613136778.db2.gz LBNBESQRQUYIDU-LSDHHAIUSA-N 2 1 291.395 0.063 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000890372400 613167426 /nfs/dbraw/zinc/16/74/26/613167426.db2.gz IUMGYTALSDFJGR-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000890372400 613167427 /nfs/dbraw/zinc/16/74/27/613167427.db2.gz IUMGYTALSDFJGR-CABCVRRESA-N 2 1 292.427 0.820 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+](CC)CC)C1 ZINC000887577980 613169116 /nfs/dbraw/zinc/16/91/16/613169116.db2.gz CNFYQQXJAYQEFS-CQSZACIVSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](CC)CC)C1 ZINC000887577980 613169118 /nfs/dbraw/zinc/16/91/18/613169118.db2.gz CNFYQQXJAYQEFS-CQSZACIVSA-N 2 1 280.416 0.725 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC000896491164 613183660 /nfs/dbraw/zinc/18/36/60/613183660.db2.gz ZZKLJKOBJQESMG-ILXRZTDVSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)C1 ZINC000896491164 613183662 /nfs/dbraw/zinc/18/36/62/613183662.db2.gz ZZKLJKOBJQESMG-ILXRZTDVSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)C1 ZINC000896491164 613183665 /nfs/dbraw/zinc/18/36/65/613183665.db2.gz ZZKLJKOBJQESMG-ILXRZTDVSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)C1 ZINC000896491164 613183667 /nfs/dbraw/zinc/18/36/67/613183667.db2.gz ZZKLJKOBJQESMG-ILXRZTDVSA-N 2 1 290.411 0.430 20 30 CCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](CCC)[NH+](C)C)C1 ZINC000923564651 613189513 /nfs/dbraw/zinc/18/95/13/613189513.db2.gz AYBFGWSINLEKBH-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CCC)[NH+](C)C)C1 ZINC000923564651 613189514 /nfs/dbraw/zinc/18/95/14/613189514.db2.gz AYBFGWSINLEKBH-KBPBESRZSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC#CC)C[C@H]21 ZINC000978282459 613199803 /nfs/dbraw/zinc/19/98/03/613199803.db2.gz NLGYUPSFZMTVSC-NXOAAHMSSA-N 2 1 299.418 0.401 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC#CC)C[C@H]21 ZINC000978282459 613199805 /nfs/dbraw/zinc/19/98/05/613199805.db2.gz NLGYUPSFZMTVSC-NXOAAHMSSA-N 2 1 299.418 0.401 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC#CC)C[C@H]21 ZINC000978282459 613199806 /nfs/dbraw/zinc/19/98/06/613199806.db2.gz NLGYUPSFZMTVSC-NXOAAHMSSA-N 2 1 299.418 0.401 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC#CC)C[C@H]21 ZINC000978282459 613199808 /nfs/dbraw/zinc/19/98/08/613199808.db2.gz NLGYUPSFZMTVSC-NXOAAHMSSA-N 2 1 299.418 0.401 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC=C)C[C@H]21 ZINC000960352808 613202779 /nfs/dbraw/zinc/20/27/79/613202779.db2.gz UUJJRQUBSZMCCP-XUWVNRHRSA-N 2 1 287.407 0.707 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC=C)C[C@H]21 ZINC000960352808 613202780 /nfs/dbraw/zinc/20/27/80/613202780.db2.gz UUJJRQUBSZMCCP-XUWVNRHRSA-N 2 1 287.407 0.707 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC=C)C[C@H]21 ZINC000960352808 613202782 /nfs/dbraw/zinc/20/27/82/613202782.db2.gz UUJJRQUBSZMCCP-XUWVNRHRSA-N 2 1 287.407 0.707 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC=C)C[C@H]21 ZINC000960352808 613202784 /nfs/dbraw/zinc/20/27/84/613202784.db2.gz UUJJRQUBSZMCCP-XUWVNRHRSA-N 2 1 287.407 0.707 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000960726136 613316656 /nfs/dbraw/zinc/31/66/56/613316656.db2.gz ZSTBIJLGUQMDHP-QXSJWSMHSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000960726136 613316657 /nfs/dbraw/zinc/31/66/57/613316657.db2.gz ZSTBIJLGUQMDHP-QXSJWSMHSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000960726136 613316658 /nfs/dbraw/zinc/31/66/58/613316658.db2.gz ZSTBIJLGUQMDHP-QXSJWSMHSA-N 2 1 289.423 0.786 20 30 CCEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000962762404 613316911 /nfs/dbraw/zinc/31/69/11/613316911.db2.gz LRZQWZPIQUOGBR-BARDWOONSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC000962762404 613316913 /nfs/dbraw/zinc/31/69/13/613316913.db2.gz LRZQWZPIQUOGBR-BARDWOONSA-N 2 1 275.396 0.540 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC000962762404 613316915 /nfs/dbraw/zinc/31/69/15/613316915.db2.gz LRZQWZPIQUOGBR-BARDWOONSA-N 2 1 275.396 0.540 20 30 CCEDMP C=C(C)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000950510588 613319398 /nfs/dbraw/zinc/31/93/98/613319398.db2.gz WFSAPEDUNBOJMW-KGLIPLIRSA-N 2 1 265.401 0.904 20 30 CCEDMP C=C(C)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000950510588 613319399 /nfs/dbraw/zinc/31/93/99/613319399.db2.gz WFSAPEDUNBOJMW-KGLIPLIRSA-N 2 1 265.401 0.904 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978967463 613343468 /nfs/dbraw/zinc/34/34/68/613343468.db2.gz ZVFPTVUEOUYBMB-QKDCVEJESA-N 2 1 289.423 0.952 20 30 CCEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000967709085 613348594 /nfs/dbraw/zinc/34/85/94/613348594.db2.gz VNGORXYUEVZCOC-OLZOCXBDSA-N 2 1 251.374 0.847 20 30 CCEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930136989 613362710 /nfs/dbraw/zinc/36/27/10/613362710.db2.gz QIWIHXCFVRQBGC-PMPSAXMXSA-N 2 1 281.444 0.881 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000907587160 613363878 /nfs/dbraw/zinc/36/38/78/613363878.db2.gz GEWHKZVHSPQRKC-AWEZNQCLSA-N 2 1 297.443 0.798 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000907515636 613363983 /nfs/dbraw/zinc/36/39/83/613363983.db2.gz NRBJAKWEJYUGGI-KBPBESRZSA-N 2 1 283.416 0.408 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000908199590 613364303 /nfs/dbraw/zinc/36/43/03/613364303.db2.gz GPGOQGAMPAXOIH-ZIAGYGMSSA-N 2 1 281.400 0.162 20 30 CCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000900808021 613365299 /nfs/dbraw/zinc/36/52/99/613365299.db2.gz XXZPUJMNZPIZKA-UONOGXRCSA-N 2 1 282.432 0.245 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000836868888 613366315 /nfs/dbraw/zinc/36/63/15/613366315.db2.gz OOTYAZSTOWXHIU-BETUJISGSA-N 2 1 269.389 0.018 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000836868888 613366316 /nfs/dbraw/zinc/36/63/16/613366316.db2.gz OOTYAZSTOWXHIU-BETUJISGSA-N 2 1 269.389 0.018 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000834804076 613366462 /nfs/dbraw/zinc/36/64/62/613366462.db2.gz HLSBQGKONUMZEG-UHFFFAOYSA-N 2 1 251.374 0.872 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000862794078 613366588 /nfs/dbraw/zinc/36/65/88/613366588.db2.gz WASZBMPRDFEMSA-ZDUSSCGKSA-N 2 1 253.390 0.952 20 30 CCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](CCOC)C1 ZINC000854981707 613366887 /nfs/dbraw/zinc/36/68/87/613366887.db2.gz ZFKSUAPAVLDOLC-ZDUSSCGKSA-N 2 1 269.389 0.331 20 30 CCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000876843847 613387733 /nfs/dbraw/zinc/38/77/33/613387733.db2.gz YDJITDPLFFRXNB-GHMZBOCLSA-N 2 1 297.790 0.363 20 30 CCEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970876059 613531403 /nfs/dbraw/zinc/53/14/03/613531403.db2.gz BTGXIVCIYXPGLJ-OLZOCXBDSA-N 2 1 263.385 0.398 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972992477 613545098 /nfs/dbraw/zinc/54/50/98/613545098.db2.gz RSTIQSQUUXUBFW-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972992477 613545101 /nfs/dbraw/zinc/54/51/01/613545101.db2.gz RSTIQSQUUXUBFW-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992477 613545107 /nfs/dbraw/zinc/54/51/07/613545107.db2.gz RSTIQSQUUXUBFW-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992477 613545110 /nfs/dbraw/zinc/54/51/10/613545110.db2.gz RSTIQSQUUXUBFW-UONOGXRCSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923366787 613591193 /nfs/dbraw/zinc/59/11/93/613591193.db2.gz ORFGJPORFBJSFF-KGLIPLIRSA-N 2 1 253.390 0.293 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972735819 613610647 /nfs/dbraw/zinc/61/06/47/613610647.db2.gz QNAMERPPKAVYCO-CYBMUJFWSA-N 2 1 263.385 0.801 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958414624 613637595 /nfs/dbraw/zinc/63/75/95/613637595.db2.gz HTSXVUYIDXOSAG-RQJABVFESA-N 2 1 261.369 0.150 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000958414624 613637597 /nfs/dbraw/zinc/63/75/97/613637597.db2.gz HTSXVUYIDXOSAG-RQJABVFESA-N 2 1 261.369 0.150 20 30 CCEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000958414624 613637599 /nfs/dbraw/zinc/63/75/99/613637599.db2.gz HTSXVUYIDXOSAG-RQJABVFESA-N 2 1 261.369 0.150 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970910770 613668721 /nfs/dbraw/zinc/66/87/21/613668721.db2.gz PVMBUOBBEOZQRJ-JSGCOSHPSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970910770 613668723 /nfs/dbraw/zinc/66/87/23/613668723.db2.gz PVMBUOBBEOZQRJ-JSGCOSHPSA-N 2 1 281.400 0.330 20 30 CCEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970869941 613668924 /nfs/dbraw/zinc/66/89/24/613668924.db2.gz RXJMJMLCPQLKSR-NWDGAFQWSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000872201216 613675673 /nfs/dbraw/zinc/67/56/73/613675673.db2.gz YLZICMGOVMQHRU-ZDUSSCGKSA-N 2 1 256.390 0.748 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978676736 613834727 /nfs/dbraw/zinc/83/47/27/613834727.db2.gz KMGNOYJLKBYMAW-QKDCVEJESA-N 2 1 277.412 0.808 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@]34CC[NH+](C3)CCC4)[C@@H]2C1 ZINC000979008057 613834836 /nfs/dbraw/zinc/83/48/36/613834836.db2.gz PWXWUZLDKFJFCY-MPTYRVRUSA-N 2 1 289.423 0.952 20 30 CCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@]34CC[N@H+](C3)CCC4)[C@@H]2C1 ZINC000979008057 613834838 /nfs/dbraw/zinc/83/48/38/613834838.db2.gz PWXWUZLDKFJFCY-MPTYRVRUSA-N 2 1 289.423 0.952 20 30 CCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@]34CC[N@@H+](C3)CCC4)[C@@H]2C1 ZINC000979008057 613834839 /nfs/dbraw/zinc/83/48/39/613834839.db2.gz PWXWUZLDKFJFCY-MPTYRVRUSA-N 2 1 289.423 0.952 20 30 CCEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979068205 613834902 /nfs/dbraw/zinc/83/49/02/613834902.db2.gz HCBPYORLOTVXDC-XDQVBPFNSA-N 2 1 263.385 0.418 20 30 CCEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979068205 613834904 /nfs/dbraw/zinc/83/49/04/613834904.db2.gz HCBPYORLOTVXDC-XDQVBPFNSA-N 2 1 263.385 0.418 20 30 CCEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979068205 613834905 /nfs/dbraw/zinc/83/49/05/613834905.db2.gz HCBPYORLOTVXDC-XDQVBPFNSA-N 2 1 263.385 0.418 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923486127 613851673 /nfs/dbraw/zinc/85/16/73/613851673.db2.gz NLOMPSABIANNFB-WDEREUQCSA-N 2 1 268.361 0.057 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432900 613852063 /nfs/dbraw/zinc/85/20/63/613852063.db2.gz JGDDLIQMEUZRNW-RWMBFGLXSA-N 2 1 294.399 0.270 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432900 613852064 /nfs/dbraw/zinc/85/20/64/613852064.db2.gz JGDDLIQMEUZRNW-RWMBFGLXSA-N 2 1 294.399 0.270 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432900 613852065 /nfs/dbraw/zinc/85/20/65/613852065.db2.gz JGDDLIQMEUZRNW-RWMBFGLXSA-N 2 1 294.399 0.270 20 30 CCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432900 613852066 /nfs/dbraw/zinc/85/20/66/613852066.db2.gz JGDDLIQMEUZRNW-RWMBFGLXSA-N 2 1 294.399 0.270 20 30 CCEDMP CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931429377 614285852 /nfs/dbraw/zinc/28/58/52/614285852.db2.gz GICHCXYVQMQXQX-LZWOXQAQSA-N 2 1 292.427 0.924 20 30 CCEDMP CC[NH+]=C(NCCO)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000153693663 614420947 /nfs/dbraw/zinc/42/09/47/614420947.db2.gz FKOLZYOBGHMOJT-GHMZBOCLSA-N 2 1 254.378 0.159 20 30 CCEDMP CCNC(NC[C@@H]1CCC[N@H+]1CCCO)=[NH+]CC ZINC000849033856 614420990 /nfs/dbraw/zinc/42/09/90/614420990.db2.gz CFVMQACJPSRHLT-LBPRGKRZSA-N 2 1 256.394 0.408 20 30 CCEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000104179635 614743185 /nfs/dbraw/zinc/74/31/85/614743185.db2.gz VIKQUXFVWFQNCL-GFCCVEGCSA-N 2 1 254.378 0.365 20 30 CCEDMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852869646 614863695 /nfs/dbraw/zinc/86/36/95/614863695.db2.gz JGROWBDEMSAHKO-HNNXBMFYSA-N 2 1 277.412 0.790 20 30 CCEDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(C#N)cs1 ZINC000903827167 616088340 /nfs/dbraw/zinc/08/83/40/616088340.db2.gz PNSSCFOWCUJOOW-UHFFFAOYSA-N 2 1 264.398 0.957 20 30 CCEDMP C[N@@H+](CCOCC[NH3+])C[C@@H](O)COc1ccccc1C#N ZINC000923403817 616115975 /nfs/dbraw/zinc/11/59/75/616115975.db2.gz RRSCWGLZYPRJHF-CQSZACIVSA-N 2 1 293.367 0.205 20 30 CCEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001026044902 625324310 /nfs/dbraw/zinc/32/43/10/625324310.db2.gz UPCBNYGPLCWIAU-XPABHHOTSA-N 2 1 275.396 0.254 20 30 CCEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026044902 625324313 /nfs/dbraw/zinc/32/43/13/625324313.db2.gz UPCBNYGPLCWIAU-XPABHHOTSA-N 2 1 275.396 0.254 20 30 CCEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026044902 625324315 /nfs/dbraw/zinc/32/43/15/625324315.db2.gz UPCBNYGPLCWIAU-XPABHHOTSA-N 2 1 275.396 0.254 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001026045460 625325643 /nfs/dbraw/zinc/32/56/43/625325643.db2.gz ZNEVEAIFFWSJBZ-DDNRWTCHSA-N 2 1 297.830 0.983 20 30 CCEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001026045460 625325644 /nfs/dbraw/zinc/32/56/44/625325644.db2.gz ZNEVEAIFFWSJBZ-DDNRWTCHSA-N 2 1 297.830 0.983 20 30 CCEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026045460 625325646 /nfs/dbraw/zinc/32/56/46/625325646.db2.gz ZNEVEAIFFWSJBZ-DDNRWTCHSA-N 2 1 297.830 0.983 20 30 CCEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026045460 625325647 /nfs/dbraw/zinc/32/56/47/625325647.db2.gz ZNEVEAIFFWSJBZ-DDNRWTCHSA-N 2 1 297.830 0.983 20 30 CCEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026045741 625325749 /nfs/dbraw/zinc/32/57/49/625325749.db2.gz HWRIWCZLJOMJSD-ZSAUSMIDSA-N 2 1 275.396 0.254 20 30 CCEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001026514655 625465756 /nfs/dbraw/zinc/46/57/56/625465756.db2.gz NDDNLAJWCIFVOL-XSCHDIRWSA-N 2 1 295.427 0.909 20 30 CCEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001026514655 625465757 /nfs/dbraw/zinc/46/57/57/625465757.db2.gz NDDNLAJWCIFVOL-XSCHDIRWSA-N 2 1 295.427 0.909 20 30 CCEDMP N#CC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000849025913 622803698 /nfs/dbraw/zinc/80/36/98/622803698.db2.gz NCWOMQDNLGJWCB-UHFFFAOYSA-N 2 1 265.361 0.126 20 30 CCEDMP C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001024365532 623300327 /nfs/dbraw/zinc/30/03/27/623300327.db2.gz CEDZGAUZRUAFBO-KBPBESRZSA-N 2 1 263.385 0.685 20 30 CCEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024506103 623342720 /nfs/dbraw/zinc/34/27/20/623342720.db2.gz JIBIFQVDCIRQFX-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024506103 623342724 /nfs/dbraw/zinc/34/27/24/623342724.db2.gz JIBIFQVDCIRQFX-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506103 623342731 /nfs/dbraw/zinc/34/27/31/623342731.db2.gz JIBIFQVDCIRQFX-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506103 623342738 /nfs/dbraw/zinc/34/27/38/623342738.db2.gz JIBIFQVDCIRQFX-QLFBSQMISA-N 2 1 295.427 0.862 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)COC ZINC000170910978 623813704 /nfs/dbraw/zinc/81/37/04/623813704.db2.gz YPVFGJZDXZWYAX-VXGBXAGGSA-N 2 1 256.394 0.658 20 30 CCEDMP C=CCNC(=[NH+]C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261789721 624823905 /nfs/dbraw/zinc/82/39/05/624823905.db2.gz QTSAXZXRRKFLJW-ZDUSSCGKSA-N 2 1 266.389 0.402 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001022107066 624874277 /nfs/dbraw/zinc/87/42/77/624874277.db2.gz QEWJXJYUGCFZHG-RFQIPJPRSA-N 2 1 263.385 0.587 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001027690748 630854764 /nfs/dbraw/zinc/85/47/64/630854764.db2.gz ILBBGWRIPHXXRO-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001027690748 630854767 /nfs/dbraw/zinc/85/47/67/630854767.db2.gz ILBBGWRIPHXXRO-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001027690748 630854771 /nfs/dbraw/zinc/85/47/71/630854771.db2.gz ILBBGWRIPHXXRO-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001027690748 630854773 /nfs/dbraw/zinc/85/47/73/630854773.db2.gz ILBBGWRIPHXXRO-LSDHHAIUSA-N 2 1 293.411 0.263 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001027690859 630854908 /nfs/dbraw/zinc/85/49/08/630854908.db2.gz JVJUUGBSTNVHPO-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001027690859 630854913 /nfs/dbraw/zinc/85/49/13/630854913.db2.gz JVJUUGBSTNVHPO-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001027690859 630854915 /nfs/dbraw/zinc/85/49/15/630854915.db2.gz JVJUUGBSTNVHPO-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001027690859 630854919 /nfs/dbraw/zinc/85/49/19/630854919.db2.gz JVJUUGBSTNVHPO-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001027805450 630934127 /nfs/dbraw/zinc/93/41/27/630934127.db2.gz SNHFIZUGFSEYMO-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001027805450 630934136 /nfs/dbraw/zinc/93/41/36/630934136.db2.gz SNHFIZUGFSEYMO-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027805450 630934139 /nfs/dbraw/zinc/93/41/39/630934139.db2.gz SNHFIZUGFSEYMO-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001027805450 630934146 /nfs/dbraw/zinc/93/41/46/630934146.db2.gz SNHFIZUGFSEYMO-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP CC[C@H](C)NC(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303378599 632484859 /nfs/dbraw/zinc/48/48/59/632484859.db2.gz QBWKAHCTXQVBKA-STQMWFEESA-N 2 1 297.447 0.632 20 30 CCEDMP C[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261979799 633112518 /nfs/dbraw/zinc/11/25/18/633112518.db2.gz OQKSXNIMQGRBDO-MRVWCRGKSA-N 2 1 296.415 0.050 20 30 CCEDMP CC#CC[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000989483163 633317633 /nfs/dbraw/zinc/31/76/33/633317633.db2.gz NICKZDPWYBSPRS-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[N@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000989483163 633317637 /nfs/dbraw/zinc/31/76/37/633317637.db2.gz NICKZDPWYBSPRS-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000989483163 633317645 /nfs/dbraw/zinc/31/76/45/633317645.db2.gz NICKZDPWYBSPRS-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP CC#CC[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989483163 633317650 /nfs/dbraw/zinc/31/76/50/633317650.db2.gz NICKZDPWYBSPRS-OAHLLOKOSA-N 2 1 277.412 0.886 20 30 CCEDMP C#CCN1CCCN(C(=O)c2cnccc2N(C)C)CC1 ZINC000989496432 633318676 /nfs/dbraw/zinc/31/86/76/633318676.db2.gz OSAGLHHIVDJSHS-UHFFFAOYSA-N 2 1 286.379 0.929 20 30 CCEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000990570888 633556071 /nfs/dbraw/zinc/55/60/71/633556071.db2.gz RASAJTKVBWEFSY-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000990570888 633556074 /nfs/dbraw/zinc/55/60/74/633556074.db2.gz RASAJTKVBWEFSY-AWEZNQCLSA-N 2 1 281.400 0.474 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001009201565 650139167 /nfs/dbraw/zinc/13/91/67/650139167.db2.gz LDGPZZFEEDGOHV-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001009201565 650139168 /nfs/dbraw/zinc/13/91/68/650139168.db2.gz LDGPZZFEEDGOHV-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009201565 650139169 /nfs/dbraw/zinc/13/91/69/650139169.db2.gz LDGPZZFEEDGOHV-CABCVRRESA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992432144 637405218 /nfs/dbraw/zinc/40/52/18/637405218.db2.gz POMYCKJKVPZUMH-PBHICJAKSA-N 2 1 287.407 0.829 20 30 CCEDMP C[NH+]=C(NCc1ccccn1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083131252 638793221 /nfs/dbraw/zinc/79/32/21/638793221.db2.gz KTZMSDIMJWPVIO-ZDUSSCGKSA-N 2 1 273.384 0.983 20 30 CCEDMP C[NH+]=C(NCc1ccccn1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083131252 638793222 /nfs/dbraw/zinc/79/32/22/638793222.db2.gz KTZMSDIMJWPVIO-ZDUSSCGKSA-N 2 1 273.384 0.983 20 30 CCEDMP C#CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC000996041766 638808457 /nfs/dbraw/zinc/80/84/57/638808457.db2.gz HJQWCLPUCHHCML-ZDUSSCGKSA-N 2 1 274.368 0.651 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC000996648364 638826450 /nfs/dbraw/zinc/82/64/50/638826450.db2.gz RMVXUKUIVKRDFG-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC000996648364 638826451 /nfs/dbraw/zinc/82/64/51/638826451.db2.gz RMVXUKUIVKRDFG-KBPBESRZSA-N 2 1 295.427 0.720 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000996919739 638844028 /nfs/dbraw/zinc/84/40/28/638844028.db2.gz AJDYXERMKXNYAO-KBPBESRZSA-N 2 1 277.412 0.931 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000996933938 638844802 /nfs/dbraw/zinc/84/48/02/638844802.db2.gz YYEAAGNKVNNVED-OAHLLOKOSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000996933938 638844805 /nfs/dbraw/zinc/84/48/05/638844805.db2.gz YYEAAGNKVNNVED-OAHLLOKOSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001000522400 639109590 /nfs/dbraw/zinc/10/95/90/639109590.db2.gz QZHYJZHCUOIXHY-HNNXBMFYSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001000522400 639109596 /nfs/dbraw/zinc/10/95/96/639109596.db2.gz QZHYJZHCUOIXHY-HNNXBMFYSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001000522400 639109603 /nfs/dbraw/zinc/10/96/03/639109603.db2.gz QZHYJZHCUOIXHY-HNNXBMFYSA-N 2 1 275.396 0.852 20 30 CCEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001001447565 639304438 /nfs/dbraw/zinc/30/44/38/639304438.db2.gz CKRDOWDGAGISNI-CQSZACIVSA-N 2 1 261.369 0.320 20 30 CCEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001001447565 639304444 /nfs/dbraw/zinc/30/44/44/639304444.db2.gz CKRDOWDGAGISNI-CQSZACIVSA-N 2 1 261.369 0.320 20 30 CCEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001001447565 639304448 /nfs/dbraw/zinc/30/44/48/639304448.db2.gz CKRDOWDGAGISNI-CQSZACIVSA-N 2 1 261.369 0.320 20 30 CCEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479686 640158779 /nfs/dbraw/zinc/15/87/79/640158779.db2.gz RTCHUJUMQIJJAL-HIFRSBDPSA-N 2 1 289.379 0.969 20 30 CCEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001018271642 650848581 /nfs/dbraw/zinc/84/85/81/650848581.db2.gz USGYZUHTVHSHJH-MELADBBJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001018271642 650848585 /nfs/dbraw/zinc/84/85/85/650848585.db2.gz USGYZUHTVHSHJH-MELADBBJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001018271642 650848587 /nfs/dbraw/zinc/84/85/87/650848587.db2.gz USGYZUHTVHSHJH-MELADBBJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001018271642 650848590 /nfs/dbraw/zinc/84/85/90/650848590.db2.gz USGYZUHTVHSHJH-MELADBBJSA-N 2 1 263.385 0.799 20 30 CCEDMP C=CC[C@H](CO)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849015641 643700852 /nfs/dbraw/zinc/70/08/52/643700852.db2.gz GVQWLQRDDFKGOS-ZDUSSCGKSA-N 2 1 284.404 0.007 20 30 CCEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000852861073 644028334 /nfs/dbraw/zinc/02/83/34/644028334.db2.gz ZHCPPTDJWDRVMJ-CQSZACIVSA-N 2 1 275.396 0.590 20 30 CCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001018835633 650914814 /nfs/dbraw/zinc/91/48/14/650914814.db2.gz LLDZOJJZWREJNE-UONOGXRCSA-N 2 1 263.385 0.683 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001019382923 650967991 /nfs/dbraw/zinc/96/79/91/650967991.db2.gz PICUWNWHTRCGDD-OLZOCXBDSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001019800437 651006713 /nfs/dbraw/zinc/00/67/13/651006713.db2.gz KAMITXARRFMERU-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001019800437 651006715 /nfs/dbraw/zinc/00/67/15/651006715.db2.gz KAMITXARRFMERU-STQMWFEESA-N 2 1 267.373 0.084 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000303882326 649826177 /nfs/dbraw/zinc/82/61/77/649826177.db2.gz LHWODMXLTVJKKQ-ZIAGYGMSSA-N 2 1 281.448 0.715 20 30 CCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C1CC1)N(C)C ZINC000303882326 649826179 /nfs/dbraw/zinc/82/61/79/649826179.db2.gz LHWODMXLTVJKKQ-ZIAGYGMSSA-N 2 1 281.448 0.715 20 30 CCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C1CC1)N(C)C ZINC000303882326 649826181 /nfs/dbraw/zinc/82/61/81/649826181.db2.gz LHWODMXLTVJKKQ-ZIAGYGMSSA-N 2 1 281.448 0.715 20 30 CCEDMP CCC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000304802565 649839625 /nfs/dbraw/zinc/83/96/25/649839625.db2.gz PPKGWJMERKIPCS-UHFFFAOYSA-N 2 1 268.405 0.803 20 30 CCEDMP C#CCC[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001266282837 790396616 /nfs/dbraw/zinc/39/66/16/790396616.db2.gz UAYFBGAGBQHXOZ-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001266282837 790396629 /nfs/dbraw/zinc/39/66/29/790396629.db2.gz UAYFBGAGBQHXOZ-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C#CCC[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001266282837 790396644 /nfs/dbraw/zinc/39/66/44/790396644.db2.gz UAYFBGAGBQHXOZ-UHFFFAOYSA-N 2 1 251.374 0.542 20 30 CCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266323032 790505281 /nfs/dbraw/zinc/50/52/81/790505281.db2.gz SWDPVBXZOGRSJE-GFCCVEGCSA-N 2 1 251.374 0.847 20 30 CCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266323032 790505289 /nfs/dbraw/zinc/50/52/89/790505289.db2.gz SWDPVBXZOGRSJE-GFCCVEGCSA-N 2 1 251.374 0.847 20 30 CCEDMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001266324807 790507729 /nfs/dbraw/zinc/50/77/29/790507729.db2.gz DFKIZPHKUVFFIA-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001266324807 790507738 /nfs/dbraw/zinc/50/77/38/790507738.db2.gz DFKIZPHKUVFFIA-UONOGXRCSA-N 2 1 281.400 0.167 20 30 CCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001210512828 790901674 /nfs/dbraw/zinc/90/16/74/790901674.db2.gz ABSXCOMEMFBASM-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210512828 790901678 /nfs/dbraw/zinc/90/16/78/790901678.db2.gz ABSXCOMEMFBASM-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210512828 790901684 /nfs/dbraw/zinc/90/16/84/790901684.db2.gz ABSXCOMEMFBASM-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP C=CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001266619182 791044507 /nfs/dbraw/zinc/04/45/07/791044507.db2.gz BYFPPQQDBXKNEE-GFCCVEGCSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001266619182 791044527 /nfs/dbraw/zinc/04/45/27/791044527.db2.gz BYFPPQQDBXKNEE-GFCCVEGCSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001266619182 791044531 /nfs/dbraw/zinc/04/45/31/791044531.db2.gz BYFPPQQDBXKNEE-GFCCVEGCSA-N 2 1 251.374 0.705 20 30 CCEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001231214656 805752978 /nfs/dbraw/zinc/75/29/78/805752978.db2.gz BSRRDQKDGITQRB-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001231214656 805752984 /nfs/dbraw/zinc/75/29/84/805752984.db2.gz BSRRDQKDGITQRB-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001231214656 805752988 /nfs/dbraw/zinc/75/29/88/805752988.db2.gz BSRRDQKDGITQRB-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001231214656 805752997 /nfs/dbraw/zinc/75/29/97/805752997.db2.gz BSRRDQKDGITQRB-CABCVRRESA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723669892 791266593 /nfs/dbraw/zinc/26/65/93/791266593.db2.gz LQWMYRIMGISGIX-CYBMUJFWSA-N 2 1 251.374 0.858 20 30 CCEDMP C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001266950312 791385695 /nfs/dbraw/zinc/38/56/95/791385695.db2.gz TZXWMFAOBBTQDV-ZIAGYGMSSA-N 2 1 265.401 0.834 20 30 CCEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001267130065 791575754 /nfs/dbraw/zinc/57/57/54/791575754.db2.gz CFEIXJZABRTKAL-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001277908986 806315777 /nfs/dbraw/zinc/31/57/77/806315777.db2.gz WWNHTZCLBGWOOF-QWHCGFSZSA-N 2 1 251.374 0.540 20 30 CCEDMP C=C[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246047839 807133399 /nfs/dbraw/zinc/13/33/99/807133399.db2.gz UMWXRIOAECKPGL-YRGRVCCFSA-N 2 1 268.357 0.008 20 30 CCEDMP N#Cc1ccn2ncc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)c2c1 ZINC001234993004 806341265 /nfs/dbraw/zinc/34/12/65/806341265.db2.gz LQSHELKWWRKYAP-INIZCTEOSA-N 2 1 296.378 0.343 20 30 CCEDMP C=CCCCC[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236308916 806566907 /nfs/dbraw/zinc/56/69/07/806566907.db2.gz JADSUFXCOLGIRY-UHFFFAOYSA-N 3 1 270.421 0.459 20 30 CCEDMP C=CCCCC[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236308916 806566913 /nfs/dbraw/zinc/56/69/13/806566913.db2.gz JADSUFXCOLGIRY-UHFFFAOYSA-N 3 1 270.421 0.459 20 30 CCEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001278078570 806654224 /nfs/dbraw/zinc/65/42/24/806654224.db2.gz XLKRTILQRXZYOA-UONOGXRCSA-N 2 1 283.416 0.502 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149848973 800302888 /nfs/dbraw/zinc/30/28/88/800302888.db2.gz QLOZMISAAFEVMP-GJZGRUSLSA-N 2 1 295.427 0.720 20 30 CCEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150546313 800345726 /nfs/dbraw/zinc/34/57/26/800345726.db2.gz CGRIBJZCBMNDBC-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150546313 800345729 /nfs/dbraw/zinc/34/57/29/800345729.db2.gz CGRIBJZCBMNDBC-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150546313 800345734 /nfs/dbraw/zinc/34/57/34/800345734.db2.gz CGRIBJZCBMNDBC-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP N#Cc1c2c(cnc1-n1cnc(C[NH3+])n1)C[NH2+]CCC2 ZINC001157926173 801524644 /nfs/dbraw/zinc/52/46/44/801524644.db2.gz AGGZNHANDFOGRW-UHFFFAOYSA-N 2 1 269.312 0.028 20 30 CCEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158404778 801637502 /nfs/dbraw/zinc/63/75/02/801637502.db2.gz YPGBANBXVUYCRV-UONOGXRCSA-N 2 1 265.401 0.836 20 30 CCEDMP N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206463691 803247472 /nfs/dbraw/zinc/24/74/72/803247472.db2.gz BKZQTXPMEBMJNT-GXTWGEPZSA-N 2 1 261.325 0.340 20 30 CCEDMP N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206463691 803247480 /nfs/dbraw/zinc/24/74/80/803247480.db2.gz BKZQTXPMEBMJNT-GXTWGEPZSA-N 2 1 261.325 0.340 20 30 CCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207539039 803414755 /nfs/dbraw/zinc/41/47/55/803414755.db2.gz XYEAOWHVPWOANG-CHWSQXEVSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207697937 803438382 /nfs/dbraw/zinc/43/83/82/803438382.db2.gz OFVWKDOZFSUJOC-MGPQQGTHSA-N 2 1 265.401 0.786 20 30 CCEDMP C=CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001276607292 803563114 /nfs/dbraw/zinc/56/31/14/803563114.db2.gz IKJNVVCJNQSESB-LBPRGKRZSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399842 803693074 /nfs/dbraw/zinc/69/30/74/803693074.db2.gz NOPGFSFELCKPBX-RBSFLKMASA-N 2 1 297.443 0.964 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801923 803857284 /nfs/dbraw/zinc/85/72/84/803857284.db2.gz YESOKLHOAAHRBF-KFWWJZLASA-N 2 1 293.411 0.167 20 30 CCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801923 803857293 /nfs/dbraw/zinc/85/72/93/803857293.db2.gz YESOKLHOAAHRBF-KFWWJZLASA-N 2 1 293.411 0.167 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001219879156 804437859 /nfs/dbraw/zinc/43/78/59/804437859.db2.gz DCKRAWDNGXGZJT-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001219879156 804437862 /nfs/dbraw/zinc/43/78/62/804437862.db2.gz DCKRAWDNGXGZJT-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879156 804437865 /nfs/dbraw/zinc/43/78/65/804437865.db2.gz DCKRAWDNGXGZJT-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879156 804437869 /nfs/dbraw/zinc/43/78/69/804437869.db2.gz DCKRAWDNGXGZJT-KFWWJZLASA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220236621 804545278 /nfs/dbraw/zinc/54/52/78/804545278.db2.gz ARQZSSITEOUXIQ-KFWWJZLASA-N 2 1 297.443 0.844 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345228 804580171 /nfs/dbraw/zinc/58/01/71/804580171.db2.gz RYALFTONQQIZKD-KFWWJZLASA-N 2 1 297.443 0.844 20 30 CCEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220831138 804676915 /nfs/dbraw/zinc/67/69/15/804676915.db2.gz PZDGXFCLNRJUIF-OLZOCXBDSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1CC2(C[NH2+]C2)C1 ZINC001220868255 804684346 /nfs/dbraw/zinc/68/43/46/804684346.db2.gz FQJVBWBYDVOEGW-ZDUSSCGKSA-N 2 1 263.385 0.753 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2C)[C@@H](O)C1 ZINC001220979038 804711956 /nfs/dbraw/zinc/71/19/56/804711956.db2.gz BOELHZLHYNLXHC-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979038 804711966 /nfs/dbraw/zinc/71/19/66/804711966.db2.gz BOELHZLHYNLXHC-KGLIPLIRSA-N 2 1 292.383 0.319 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001276957592 805014753 /nfs/dbraw/zinc/01/47/53/805014753.db2.gz YVTNKKNJLFUGRM-MGPQQGTHSA-N 2 1 281.400 0.378 20 30 CCEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001276957592 805014764 /nfs/dbraw/zinc/01/47/64/805014764.db2.gz YVTNKKNJLFUGRM-MGPQQGTHSA-N 2 1 281.400 0.378 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246019736 807118313 /nfs/dbraw/zinc/11/83/13/807118313.db2.gz JNEVBIIJHUANPB-HZSPNIEDSA-N 2 1 254.374 0.304 20 30 CCEDMP N#Cc1ccccc1OC1C[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246992228 807449854 /nfs/dbraw/zinc/44/98/54/807449854.db2.gz VEHKMZMGWPSYEH-AWEZNQCLSA-N 2 1 298.390 0.715 20 30 CCEDMP C#CCOC[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001251854586 807721964 /nfs/dbraw/zinc/72/19/64/807721964.db2.gz HNXMDZDCEPAWCU-KGLIPLIRSA-N 2 1 252.358 0.025 20 30 CCEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001251854586 807721970 /nfs/dbraw/zinc/72/19/70/807721970.db2.gz HNXMDZDCEPAWCU-KGLIPLIRSA-N 2 1 252.358 0.025 20 30 CCEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001251854586 807721974 /nfs/dbraw/zinc/72/19/74/807721974.db2.gz HNXMDZDCEPAWCU-KGLIPLIRSA-N 2 1 252.358 0.025 20 30 CCEDMP C=CCOC[C@@H](O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001252464320 807875873 /nfs/dbraw/zinc/87/58/73/807875873.db2.gz WXBDNUSRCYQYAO-RDBSUJKOSA-N 2 1 254.374 0.433 20 30 CCEDMP C=CCOC[C@@H](O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001252464320 807875883 /nfs/dbraw/zinc/87/58/83/807875883.db2.gz WXBDNUSRCYQYAO-RDBSUJKOSA-N 2 1 254.374 0.433 20 30 CCEDMP C=CCOC[C@@H](O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001252464320 807875891 /nfs/dbraw/zinc/87/58/91/807875891.db2.gz WXBDNUSRCYQYAO-RDBSUJKOSA-N 2 1 254.374 0.433 20 30 CCEDMP [NH2+]=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC001252945100 807988155 /nfs/dbraw/zinc/98/81/55/807988155.db2.gz XSKAMMIUHSPWEJ-INIZCTEOSA-N 2 1 299.378 0.752 20 30 CCEDMP C=C[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001253586176 808092086 /nfs/dbraw/zinc/09/20/86/808092086.db2.gz HSCRQUYAHOLSKX-ZFWWWQNUSA-N 2 1 296.411 0.883 20 30 CCEDMP C=C[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001253586176 808092095 /nfs/dbraw/zinc/09/20/95/808092095.db2.gz HSCRQUYAHOLSKX-ZFWWWQNUSA-N 2 1 296.411 0.883 20 30 CCEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278821389 808293572 /nfs/dbraw/zinc/29/35/72/808293572.db2.gz JRVBZNHAOLQWAU-GOEBONIOSA-N 2 1 295.427 0.149 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076240418 815262447 /nfs/dbraw/zinc/26/24/47/815262447.db2.gz ZLDCDKGPKCHJGP-LSDHHAIUSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076240418 815262454 /nfs/dbraw/zinc/26/24/54/815262454.db2.gz ZLDCDKGPKCHJGP-LSDHHAIUSA-N 2 1 289.423 0.884 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076240418 815262460 /nfs/dbraw/zinc/26/24/60/815262460.db2.gz ZLDCDKGPKCHJGP-LSDHHAIUSA-N 2 1 289.423 0.884 20 30 CCEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC#CC[NH+](C)C ZINC001262636300 809381044 /nfs/dbraw/zinc/38/10/44/809381044.db2.gz OZGDIFIZUKRYSP-AWEZNQCLSA-N 2 1 265.401 0.788 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001263864069 809592453 /nfs/dbraw/zinc/59/24/53/809592453.db2.gz NGHMRZVFOHJXIP-JOCQHMNTSA-N 2 1 263.385 0.588 20 30 CCEDMP COCC#CC[N@@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265058139 809701225 /nfs/dbraw/zinc/70/12/25/809701225.db2.gz JYTDPMUFJZBIHJ-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP COCC#CC[NH+](C)CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001265058139 809701227 /nfs/dbraw/zinc/70/12/27/809701227.db2.gz JYTDPMUFJZBIHJ-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP COCC#CC[NH+](C)CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001265058139 809701230 /nfs/dbraw/zinc/70/12/30/809701230.db2.gz JYTDPMUFJZBIHJ-HNNXBMFYSA-N 2 1 295.427 0.416 20 30 CCEDMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001265230653 809727852 /nfs/dbraw/zinc/72/78/52/809727852.db2.gz JQKLLGQSBMZAIX-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001265230653 809727855 /nfs/dbraw/zinc/72/78/55/809727855.db2.gz JQKLLGQSBMZAIX-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001265230653 809727860 /nfs/dbraw/zinc/72/78/60/809727860.db2.gz JQKLLGQSBMZAIX-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001265459951 809783804 /nfs/dbraw/zinc/78/38/04/809783804.db2.gz RVOJASUHJVLSOU-AWEZNQCLSA-N 2 1 283.416 0.720 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266224928 809966901 /nfs/dbraw/zinc/96/69/01/809966901.db2.gz GMTJDISLJBBLRC-ZIAGYGMSSA-N 2 1 265.401 0.931 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083274327 811427984 /nfs/dbraw/zinc/42/79/84/811427984.db2.gz HPJXGNGJKTVABQ-SOUVJXGZSA-N 2 1 293.411 0.426 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274327 811427987 /nfs/dbraw/zinc/42/79/87/811427987.db2.gz HPJXGNGJKTVABQ-SOUVJXGZSA-N 2 1 293.411 0.426 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274327 811427993 /nfs/dbraw/zinc/42/79/93/811427993.db2.gz HPJXGNGJKTVABQ-SOUVJXGZSA-N 2 1 293.411 0.426 20 30 CCEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268054923 812146080 /nfs/dbraw/zinc/14/60/80/812146080.db2.gz MUXUCCJGIRTWBG-ZIAGYGMSSA-N 2 1 281.400 0.167 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001268098830 812257516 /nfs/dbraw/zinc/25/75/16/812257516.db2.gz JFRNUZATCGWDIV-CYBMUJFWSA-N 2 1 253.390 0.786 20 30 CCEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001268226195 812382729 /nfs/dbraw/zinc/38/27/29/812382729.db2.gz FEQYVYGVASINOW-OLZOCXBDSA-N 2 1 251.374 0.302 20 30 CCEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075619638 812474826 /nfs/dbraw/zinc/47/48/26/812474826.db2.gz KIENXJALHARWLM-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075619638 812474831 /nfs/dbraw/zinc/47/48/31/812474831.db2.gz KIENXJALHARWLM-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075619638 812474836 /nfs/dbraw/zinc/47/48/36/812474836.db2.gz KIENXJALHARWLM-SOUVJXGZSA-N 2 1 275.396 0.637 20 30 CCEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001268400204 812545553 /nfs/dbraw/zinc/54/55/53/812545553.db2.gz SQTVCBSVYOYHIU-OCCSQVGLSA-N 2 1 288.395 0.872 20 30 CCEDMP C#CCC[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268614779 812949036 /nfs/dbraw/zinc/94/90/36/812949036.db2.gz YHVJIPNQFGRMTD-GJBLVYBDSA-N 2 1 263.385 0.614 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028933957 813673939 /nfs/dbraw/zinc/67/39/39/813673939.db2.gz VDQCYBFXAQSQTI-AWEZNQCLSA-N 2 1 275.396 0.544 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001028997307 813738229 /nfs/dbraw/zinc/73/82/29/813738229.db2.gz QXDBMYDPRXLVIM-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028997307 813738237 /nfs/dbraw/zinc/73/82/37/813738237.db2.gz QXDBMYDPRXLVIM-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028997307 813738243 /nfs/dbraw/zinc/73/82/43/813738243.db2.gz QXDBMYDPRXLVIM-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028997307 813738249 /nfs/dbraw/zinc/73/82/49/813738249.db2.gz QXDBMYDPRXLVIM-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028997307 813738256 /nfs/dbraw/zinc/73/82/56/813738256.db2.gz QXDBMYDPRXLVIM-LSDHHAIUSA-N 2 1 293.411 0.169 20 30 CCEDMP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001271146945 814208457 /nfs/dbraw/zinc/20/84/57/814208457.db2.gz YVTIRBADVSDSTA-IIAWOOMASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001271146945 814208461 /nfs/dbraw/zinc/20/84/61/814208461.db2.gz YVTIRBADVSDSTA-IIAWOOMASA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001271146945 814208465 /nfs/dbraw/zinc/20/84/65/814208465.db2.gz YVTIRBADVSDSTA-IIAWOOMASA-N 2 1 295.427 0.456 20 30 CCEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001089040587 816220690 /nfs/dbraw/zinc/22/06/90/816220690.db2.gz AUTPAPKFJCTLNV-OCCSQVGLSA-N 2 1 274.368 0.794 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001089040587 816220692 /nfs/dbraw/zinc/22/06/92/816220692.db2.gz AUTPAPKFJCTLNV-OCCSQVGLSA-N 2 1 274.368 0.794 20 30 CCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038913 816220919 /nfs/dbraw/zinc/22/09/19/816220919.db2.gz PNPAQLJLVUCXSO-RDBSUJKOSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001089038913 816220924 /nfs/dbraw/zinc/22/09/24/816220924.db2.gz PNPAQLJLVUCXSO-RDBSUJKOSA-N 2 1 263.385 0.540 20 30 CCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001089038913 816220931 /nfs/dbraw/zinc/22/09/31/816220931.db2.gz PNPAQLJLVUCXSO-RDBSUJKOSA-N 2 1 263.385 0.540 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001089053058 816226177 /nfs/dbraw/zinc/22/61/77/816226177.db2.gz IZLWFSWSICNBES-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001089053058 816226181 /nfs/dbraw/zinc/22/61/81/816226181.db2.gz IZLWFSWSICNBES-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053058 816226185 /nfs/dbraw/zinc/22/61/85/816226185.db2.gz IZLWFSWSICNBES-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053058 816226188 /nfs/dbraw/zinc/22/61/88/816226188.db2.gz IZLWFSWSICNBES-HZSPNIEDSA-N 2 1 281.400 0.472 20 30 CCEDMP N#CCCCCNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001168427928 816269037 /nfs/dbraw/zinc/26/90/37/816269037.db2.gz PXWRWSXPTHTTEC-UHFFFAOYSA-N 2 1 260.345 0.992 20 30 CCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083695971 816455868 /nfs/dbraw/zinc/45/58/68/816455868.db2.gz CHLNQFXJFXHSLD-KGLIPLIRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083695971 816455874 /nfs/dbraw/zinc/45/58/74/816455874.db2.gz CHLNQFXJFXHSLD-KGLIPLIRSA-N 2 1 295.427 0.598 20 30 CCEDMP C=CCCN1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030964311 816511996 /nfs/dbraw/zinc/51/19/96/816511996.db2.gz ULHPECPBGJFZGZ-DGCLKSJQSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030964311 816511997 /nfs/dbraw/zinc/51/19/97/816511997.db2.gz ULHPECPBGJFZGZ-DGCLKSJQSA-N 2 1 251.374 0.561 20 30 CCEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030964311 816511999 /nfs/dbraw/zinc/51/19/99/816511999.db2.gz ULHPECPBGJFZGZ-DGCLKSJQSA-N 2 1 251.374 0.561 20 30 CCEDMP CC#CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001280544555 816562630 /nfs/dbraw/zinc/56/26/30/816562630.db2.gz BMXDGMVKYUSDIR-UHFFFAOYSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310786 816733833 /nfs/dbraw/zinc/73/38/33/816733833.db2.gz YOMYDVYTVFDYFS-KBUPBQIOSA-N 2 1 293.411 0.023 20 30 CCEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310786 816733839 /nfs/dbraw/zinc/73/38/39/816733839.db2.gz YOMYDVYTVFDYFS-KBUPBQIOSA-N 2 1 293.411 0.023 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668604 817232226 /nfs/dbraw/zinc/23/22/26/817232226.db2.gz KTRJQGPOCIZJQS-CABCVRRESA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668604 817232231 /nfs/dbraw/zinc/23/22/31/817232231.db2.gz KTRJQGPOCIZJQS-CABCVRRESA-N 2 1 275.396 0.542 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H](C)F)C1 ZINC001031741323 817304628 /nfs/dbraw/zinc/30/46/28/817304628.db2.gz WJZUBBLEHXEMOE-HIFRSBDPSA-N 2 1 295.402 0.880 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H](C)F)C1 ZINC001031741323 817304636 /nfs/dbraw/zinc/30/46/36/817304636.db2.gz WJZUBBLEHXEMOE-HIFRSBDPSA-N 2 1 295.402 0.880 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031767133 817351219 /nfs/dbraw/zinc/35/12/19/817351219.db2.gz RWSJXLSFKNSADG-LSDHHAIUSA-N 2 1 275.396 0.685 20 30 CCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001031767133 817351226 /nfs/dbraw/zinc/35/12/26/817351226.db2.gz RWSJXLSFKNSADG-LSDHHAIUSA-N 2 1 275.396 0.685 20 30 CCEDMP C=CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031858888 817422968 /nfs/dbraw/zinc/42/29/68/817422968.db2.gz KIKFIPZZNJTKHR-CXOJTPOUSA-N 2 1 291.395 0.084 20 30 CCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031921280 817464593 /nfs/dbraw/zinc/46/45/93/817464593.db2.gz LXZVPLSYMQXEFA-HNNXBMFYSA-N 2 1 293.411 0.167 20 30 CCEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001272721192 817592340 /nfs/dbraw/zinc/59/23/40/817592340.db2.gz OPVBZZNBJBJQHH-RBSFLKMASA-N 2 1 295.427 0.768 20 30 CCEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001272721192 817592346 /nfs/dbraw/zinc/59/23/46/817592346.db2.gz OPVBZZNBJBJQHH-RBSFLKMASA-N 2 1 295.427 0.768 20 30 CCEDMP C#CCN1CC[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031015 818488456 /nfs/dbraw/zinc/48/84/56/818488456.db2.gz SPAJBPSXIFEZAB-INIZCTEOSA-N 2 1 275.396 0.544 20 30 CCEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659867 818881834 /nfs/dbraw/zinc/88/18/34/818881834.db2.gz ZIDKGCGXVHFZCJ-CQSZACIVSA-N 2 1 263.385 0.638 20 30 CCEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528275 819231419 /nfs/dbraw/zinc/23/14/19/819231419.db2.gz LKHKFCKUSNJNNH-CQSZACIVSA-N 2 1 263.385 0.686 20 30 CCEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001035313018 819463597 /nfs/dbraw/zinc/46/35/97/819463597.db2.gz LWZFZVGJYRHTET-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035313018 819463599 /nfs/dbraw/zinc/46/35/99/819463599.db2.gz LWZFZVGJYRHTET-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035313018 819463603 /nfs/dbraw/zinc/46/36/03/819463603.db2.gz LWZFZVGJYRHTET-CABCVRRESA-N 2 1 295.427 0.864 20 30 CCEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079707930 820456335 /nfs/dbraw/zinc/45/63/35/820456335.db2.gz ZQHZUCQTRDKGBC-VNQPRFMTSA-N 2 1 289.423 0.788 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079726209 820459920 /nfs/dbraw/zinc/45/99/20/820459920.db2.gz IWEVDUPIDGEJGF-KBUPBQIOSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079726209 820459926 /nfs/dbraw/zinc/45/99/26/820459926.db2.gz IWEVDUPIDGEJGF-KBUPBQIOSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079726209 820459930 /nfs/dbraw/zinc/45/99/30/820459930.db2.gz IWEVDUPIDGEJGF-KBUPBQIOSA-N 2 1 277.412 0.786 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080442587 820578551 /nfs/dbraw/zinc/57/85/51/820578551.db2.gz GIPXGAKSLKGTGD-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001080442587 820578557 /nfs/dbraw/zinc/57/85/57/820578557.db2.gz GIPXGAKSLKGTGD-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001080442587 820578563 /nfs/dbraw/zinc/57/85/63/820578563.db2.gz GIPXGAKSLKGTGD-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328878 820936425 /nfs/dbraw/zinc/93/64/25/820936425.db2.gz PVBLUHHDMUKZFT-ZIAGYGMSSA-N 2 1 293.411 0.474 20 30 CCEDMP C#CCN1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084773142 821386975 /nfs/dbraw/zinc/38/69/75/821386975.db2.gz FBIQYVKAWXWYNR-RBSFLKMASA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084773142 821386980 /nfs/dbraw/zinc/38/69/80/821386980.db2.gz FBIQYVKAWXWYNR-RBSFLKMASA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084773142 821386990 /nfs/dbraw/zinc/38/69/90/821386990.db2.gz FBIQYVKAWXWYNR-RBSFLKMASA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084773142 821387001 /nfs/dbraw/zinc/38/70/01/821387001.db2.gz FBIQYVKAWXWYNR-RBSFLKMASA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084773142 821387011 /nfs/dbraw/zinc/38/70/11/821387011.db2.gz FBIQYVKAWXWYNR-RBSFLKMASA-N 2 1 275.396 0.494 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085428913 821683219 /nfs/dbraw/zinc/68/32/19/821683219.db2.gz XLJLUYGDVNTTHW-RBSFLKMASA-N 2 1 293.411 0.357 20 30 CCEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085428913 821683224 /nfs/dbraw/zinc/68/32/24/821683224.db2.gz XLJLUYGDVNTTHW-RBSFLKMASA-N 2 1 293.411 0.357 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988308 821868957 /nfs/dbraw/zinc/86/89/57/821868957.db2.gz GOYTXTOOFLYXAR-ZIAGYGMSSA-N 2 1 283.416 0.456 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC)CC1 ZINC001085986718 822051703 /nfs/dbraw/zinc/05/17/03/822051703.db2.gz LMHVNNSFXBBDOT-OAHLLOKOSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001086085559 822105416 /nfs/dbraw/zinc/10/54/16/822105416.db2.gz JHOHKKUZDBVSBE-LVQVYYBASA-N 2 1 289.423 0.978 20 30 CCEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001086365230 822225409 /nfs/dbraw/zinc/22/54/09/822225409.db2.gz JHOHKKUZDBVSBE-YHUYYLMFSA-N 2 1 289.423 0.978 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100083126 822254986 /nfs/dbraw/zinc/25/49/86/822254986.db2.gz NPCHEFHSPDLUQI-HUUCEWRRSA-N 2 1 297.443 0.846 20 30 CCEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155856195 822264498 /nfs/dbraw/zinc/26/44/98/822264498.db2.gz FKXZUBKOHHDCTR-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155856195 822264508 /nfs/dbraw/zinc/26/45/08/822264508.db2.gz FKXZUBKOHHDCTR-OAHLLOKOSA-N 2 1 295.427 0.559 20 30 CCEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110685 822309888 /nfs/dbraw/zinc/30/98/88/822309888.db2.gz ZORIITGPWZIELW-HUUCEWRRSA-N 2 1 295.427 0.600 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129430862 837508617 /nfs/dbraw/zinc/50/86/17/837508617.db2.gz YSQMWOFAJTZKNT-GFCCVEGCSA-N 2 1 260.341 0.490 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccnc1 ZINC001129774626 837558463 /nfs/dbraw/zinc/55/84/63/837558463.db2.gz DJWFUUHVOUMTQE-HNNXBMFYSA-N 2 1 286.379 0.385 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccnc1 ZINC001129774626 837558471 /nfs/dbraw/zinc/55/84/71/837558471.db2.gz DJWFUUHVOUMTQE-HNNXBMFYSA-N 2 1 286.379 0.385 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576174 844043964 /nfs/dbraw/zinc/04/39/64/844043964.db2.gz DSBKHHORGKZPBP-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183576174 844043971 /nfs/dbraw/zinc/04/39/71/844043971.db2.gz DSBKHHORGKZPBP-RBSFLKMASA-N 2 1 295.427 0.862 20 30 CCEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398342 835999690 /nfs/dbraw/zinc/99/96/90/835999690.db2.gz GJZHJMVFCUKYOD-MRXNPFEDSA-N 2 1 295.427 0.865 20 30 CCEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169992575 836654617 /nfs/dbraw/zinc/65/46/17/836654617.db2.gz XFXHYXUZHVUQSW-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169992575 836654619 /nfs/dbraw/zinc/65/46/19/836654619.db2.gz XFXHYXUZHVUQSW-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426308 838392441 /nfs/dbraw/zinc/39/24/41/838392441.db2.gz VLXVGDFLRKMGFN-CABCVRRESA-N 2 1 295.427 0.557 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133856748 838751643 /nfs/dbraw/zinc/75/16/43/838751643.db2.gz PGYXVAFVVLWZDJ-OAHLLOKOSA-N 2 1 283.391 0.928 20 30 CCEDMP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102957 839162122 /nfs/dbraw/zinc/16/21/22/839162122.db2.gz RAKORVJXCSPEFF-KGLIPLIRSA-N 2 1 263.385 0.732 20 30 CCEDMP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675573 839350912 /nfs/dbraw/zinc/35/09/12/839350912.db2.gz IPFYSBKMEUMJTF-KGLIPLIRSA-N 2 1 283.416 0.768 20 30 CCEDMP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135692187 839363098 /nfs/dbraw/zinc/36/30/98/839363098.db2.gz GXWVBMJZHUCZGI-GJZGRUSLSA-N 2 1 295.427 0.605 20 30 CCEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731656 839761173 /nfs/dbraw/zinc/76/11/73/839761173.db2.gz UMSBXRKGLFCZMD-KGLIPLIRSA-N 2 1 293.411 0.210 20 30 CCEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246491526 839873618 /nfs/dbraw/zinc/87/36/18/839873618.db2.gz SUIHNYLPILNJIZ-SWLSCSKDSA-N 2 1 258.369 0.640 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001091068065 840026245 /nfs/dbraw/zinc/02/62/45/840026245.db2.gz DLYXHVTXGWSBDL-JXQTWKCFSA-N 2 1 286.379 0.878 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCF)C1 ZINC001091076056 840035227 /nfs/dbraw/zinc/03/52/27/840035227.db2.gz KIIBPRCZEGDFHU-RUXDESIVSA-N 2 1 281.375 0.538 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCF)C1 ZINC001091076056 840035234 /nfs/dbraw/zinc/03/52/34/840035234.db2.gz KIIBPRCZEGDFHU-RUXDESIVSA-N 2 1 281.375 0.538 20 30 CCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001186330247 844545461 /nfs/dbraw/zinc/54/54/61/844545461.db2.gz PWXLIPWLESJMJV-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091682994 840753287 /nfs/dbraw/zinc/75/32/87/840753287.db2.gz BEZRTVYVQBEGJI-ANQUJSFKSA-N 2 1 289.423 0.740 20 30 CCEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091682994 840753295 /nfs/dbraw/zinc/75/32/95/840753295.db2.gz BEZRTVYVQBEGJI-ANQUJSFKSA-N 2 1 289.423 0.740 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091682994 840753304 /nfs/dbraw/zinc/75/33/04/840753304.db2.gz BEZRTVYVQBEGJI-ANQUJSFKSA-N 2 1 289.423 0.740 20 30 CCEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092504475 841029738 /nfs/dbraw/zinc/02/97/38/841029738.db2.gz PIACVPHHERCFNJ-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092504475 841029745 /nfs/dbraw/zinc/02/97/45/841029745.db2.gz PIACVPHHERCFNJ-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092504475 841029753 /nfs/dbraw/zinc/02/97/53/841029753.db2.gz PIACVPHHERCFNJ-MGPQQGTHSA-N 2 1 263.385 0.398 20 30 CCEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CCn3ccnc3)CC[C@H]21 ZINC001036786310 841217806 /nfs/dbraw/zinc/21/78/06/841217806.db2.gz SQTIWKXMHGGCIW-LSDHHAIUSA-N 2 1 286.379 0.829 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182639 843112021 /nfs/dbraw/zinc/11/20/21/843112021.db2.gz IOHGNSUQECNPLD-KKUMJFAQSA-N 2 1 293.411 0.309 20 30 CCEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182639 843112025 /nfs/dbraw/zinc/11/20/25/843112025.db2.gz IOHGNSUQECNPLD-KKUMJFAQSA-N 2 1 293.411 0.309 20 30 CCEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515921 845154905 /nfs/dbraw/zinc/15/49/05/845154905.db2.gz CXFTUGQXUOFZQQ-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189515921 845154908 /nfs/dbraw/zinc/15/49/08/845154908.db2.gz CXFTUGQXUOFZQQ-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189515921 845154913 /nfs/dbraw/zinc/15/49/13/845154913.db2.gz CXFTUGQXUOFZQQ-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189515921 845154916 /nfs/dbraw/zinc/15/49/16/845154916.db2.gz CXFTUGQXUOFZQQ-GJZGRUSLSA-N 2 1 295.427 0.816 20 30 CCEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193461120 846081323 /nfs/dbraw/zinc/08/13/23/846081323.db2.gz FIHCDDRBSFJGQV-CYBMUJFWSA-N 2 1 269.389 0.283 20 30 CCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193621229 846128842 /nfs/dbraw/zinc/12/88/42/846128842.db2.gz DYWLOXOFEFDQDZ-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193621229 846128849 /nfs/dbraw/zinc/12/88/49/846128849.db2.gz DYWLOXOFEFDQDZ-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193621229 846128855 /nfs/dbraw/zinc/12/88/55/846128855.db2.gz DYWLOXOFEFDQDZ-CYBMUJFWSA-N 2 1 251.374 0.494 20 30 CCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001196177379 846700794 /nfs/dbraw/zinc/70/07/94/846700794.db2.gz XUFPQDXZPZIDMB-RRFJBIMHSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001196177379 846700798 /nfs/dbraw/zinc/70/07/98/846700798.db2.gz XUFPQDXZPZIDMB-RRFJBIMHSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001196177379 846700803 /nfs/dbraw/zinc/70/08/03/846700803.db2.gz XUFPQDXZPZIDMB-RRFJBIMHSA-N 2 1 295.427 0.456 20 30 CCEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198047978 847026530 /nfs/dbraw/zinc/02/65/30/847026530.db2.gz PZDGXFCLNRJUIF-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198047978 847026537 /nfs/dbraw/zinc/02/65/37/847026537.db2.gz PZDGXFCLNRJUIF-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198047978 847026541 /nfs/dbraw/zinc/02/65/41/847026541.db2.gz PZDGXFCLNRJUIF-CHWSQXEVSA-N 2 1 269.389 0.066 20 30 CCEDMP CC#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152457511 847119800 /nfs/dbraw/zinc/11/98/00/847119800.db2.gz GPDCLGDYNITTOQ-ZDUSSCGKSA-N 2 1 251.374 0.590 20 30 CCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864363 847819104 /nfs/dbraw/zinc/81/91/04/847819104.db2.gz WEVGPOFVWXLBPH-CABCVRRESA-N 2 1 295.427 0.721 20 30 CCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114460837 848073421 /nfs/dbraw/zinc/07/34/21/848073421.db2.gz HSLKPJBGIYWMAX-XQHKEYJVSA-N 2 1 251.374 0.559 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001274985968 848608018 /nfs/dbraw/zinc/60/80/18/848608018.db2.gz ILBJSAOSZGDCLS-OLZOCXBDSA-N 2 1 253.390 0.999 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001275720717 848800497 /nfs/dbraw/zinc/80/04/97/848800497.db2.gz LRZPIWQCDBSPFG-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001275720717 848800504 /nfs/dbraw/zinc/80/05/04/848800504.db2.gz LRZPIWQCDBSPFG-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001275720717 848800511 /nfs/dbraw/zinc/80/05/11/848800511.db2.gz LRZPIWQCDBSPFG-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001275720717 848800520 /nfs/dbraw/zinc/80/05/20/848800520.db2.gz LRZPIWQCDBSPFG-KBPBESRZSA-N 2 1 283.416 0.720 20 30 CCEDMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001275720706 848800898 /nfs/dbraw/zinc/80/08/98/848800898.db2.gz LORIILDPRYJQRI-OLZOCXBDSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001275720706 848800906 /nfs/dbraw/zinc/80/09/06/848800906.db2.gz LORIILDPRYJQRI-OLZOCXBDSA-N 2 1 253.390 0.951 20 30 CCEDMP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001275720706 848800915 /nfs/dbraw/zinc/80/09/15/848800915.db2.gz LORIILDPRYJQRI-OLZOCXBDSA-N 2 1 253.390 0.951 20 30 CCEDMP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001275977129 848879117 /nfs/dbraw/zinc/87/91/17/848879117.db2.gz NJBUGKBJGDGKCD-QWHCGFSZSA-N 2 1 253.390 0.786 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CC2CC2)CC1 ZINC001039042012 850136399 /nfs/dbraw/zinc/13/63/99/850136399.db2.gz LCJYXLCONKBEGK-MRXNPFEDSA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042356911 850619518 /nfs/dbraw/zinc/61/95/18/850619518.db2.gz UYHZEWYFNAQVIE-HUUCEWRRSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042356911 850619520 /nfs/dbraw/zinc/61/95/20/850619520.db2.gz UYHZEWYFNAQVIE-HUUCEWRRSA-N 2 1 286.379 0.748 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043884005 850956731 /nfs/dbraw/zinc/95/67/31/850956731.db2.gz ZJEJVAZPVWSOJE-OCCSQVGLSA-N 2 1 263.385 0.350 20 30 CCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043884005 850956740 /nfs/dbraw/zinc/95/67/40/850956740.db2.gz ZJEJVAZPVWSOJE-OCCSQVGLSA-N 2 1 263.385 0.350 20 30 CCEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045639197 851290666 /nfs/dbraw/zinc/29/06/66/851290666.db2.gz CXIHBCGRDVZKAT-CQSZACIVSA-N 2 1 277.412 0.932 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046323046 851466023 /nfs/dbraw/zinc/46/60/23/851466023.db2.gz FLVGWYASSCBBER-GOEBONIOSA-N 2 1 275.396 0.542 20 30 CCEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046322905 851466822 /nfs/dbraw/zinc/46/68/22/851466822.db2.gz DMEDUUYXJBOUKF-WBVHZDCISA-N 2 1 289.423 0.932 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCF)C2)CC1 ZINC001046850610 851630100 /nfs/dbraw/zinc/63/01/00/851630100.db2.gz XTNPJZZFFWBCEC-MRXNPFEDSA-N 2 1 295.402 0.882 20 30 CCEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCF)C2)CC1 ZINC001046850610 851630106 /nfs/dbraw/zinc/63/01/06/851630106.db2.gz XTNPJZZFFWBCEC-MRXNPFEDSA-N 2 1 295.402 0.882 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511664 851797724 /nfs/dbraw/zinc/79/77/24/851797724.db2.gz NGMYYBKVFGZISX-GJZGRUSLSA-N 2 1 295.427 0.408 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048740110 852041954 /nfs/dbraw/zinc/04/19/54/852041954.db2.gz RYNPLFBXGIFXCG-ZNMIVQPWSA-N 2 1 293.411 0.283 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048740110 852041965 /nfs/dbraw/zinc/04/19/65/852041965.db2.gz RYNPLFBXGIFXCG-ZNMIVQPWSA-N 2 1 293.411 0.283 20 30 CCEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048740110 852041975 /nfs/dbraw/zinc/04/19/75/852041975.db2.gz RYNPLFBXGIFXCG-ZNMIVQPWSA-N 2 1 293.411 0.283 20 30 CCEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740110 852041983 /nfs/dbraw/zinc/04/19/83/852041983.db2.gz RYNPLFBXGIFXCG-ZNMIVQPWSA-N 2 1 293.411 0.283 20 30 CCEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740110 852042001 /nfs/dbraw/zinc/04/20/01/852042001.db2.gz RYNPLFBXGIFXCG-ZNMIVQPWSA-N 2 1 293.411 0.283 20 30 CCEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048864279 852086399 /nfs/dbraw/zinc/08/63/99/852086399.db2.gz VHPPABSJNJRTCI-ZNMIVQPWSA-N 2 1 298.390 0.784 20 30 CCEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048864279 852086406 /nfs/dbraw/zinc/08/64/06/852086406.db2.gz VHPPABSJNJRTCI-ZNMIVQPWSA-N 2 1 298.390 0.784 20 30 CCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001052931643 852671690 /nfs/dbraw/zinc/67/16/90/852671690.db2.gz ZYUDSJTXCWXJEF-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001052931643 852671691 /nfs/dbraw/zinc/67/16/91/852671691.db2.gz ZYUDSJTXCWXJEF-CQSZACIVSA-N 2 1 274.368 0.795 20 30 CCEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001054905551 853034896 /nfs/dbraw/zinc/03/48/96/853034896.db2.gz HDVKPRZXPLVIDP-WCQYABFASA-N 2 1 260.341 0.261 20 30 CCEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052276928 853724252 /nfs/dbraw/zinc/72/42/52/853724252.db2.gz NNFYTLWDWBEDNS-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052276928 853724258 /nfs/dbraw/zinc/72/42/58/853724258.db2.gz NNFYTLWDWBEDNS-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052276928 853724265 /nfs/dbraw/zinc/72/42/65/853724265.db2.gz NNFYTLWDWBEDNS-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052276928 853724269 /nfs/dbraw/zinc/72/42/69/853724269.db2.gz NNFYTLWDWBEDNS-GJZGRUSLSA-N 2 1 293.411 0.311 20 30 CCEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072813618 854470782 /nfs/dbraw/zinc/47/07/82/854470782.db2.gz YWISKQGZBWFAEL-AWEZNQCLSA-N 2 1 275.396 0.494 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001072981280 854506295 /nfs/dbraw/zinc/50/62/95/854506295.db2.gz CGVMIMMKSWNOEU-LSDHHAIUSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072981280 854506303 /nfs/dbraw/zinc/50/63/03/854506303.db2.gz CGVMIMMKSWNOEU-LSDHHAIUSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072981280 854506311 /nfs/dbraw/zinc/50/63/11/854506311.db2.gz CGVMIMMKSWNOEU-LSDHHAIUSA-N 2 1 289.423 0.742 20 30 CCEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001073426043 854558097 /nfs/dbraw/zinc/55/80/97/854558097.db2.gz OVDSUXZSXOSQDP-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073426043 854558107 /nfs/dbraw/zinc/55/81/07/854558107.db2.gz OVDSUXZSXOSQDP-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073426043 854558117 /nfs/dbraw/zinc/55/81/17/854558117.db2.gz OVDSUXZSXOSQDP-CQSZACIVSA-N 2 1 275.396 0.496 20 30 CCEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073753398 854639817 /nfs/dbraw/zinc/63/98/17/854639817.db2.gz WDLXJAVOMKCEPP-HNNXBMFYSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100066096 855089554 /nfs/dbraw/zinc/08/95/54/855089554.db2.gz CAIYWLFMIUFCEY-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100066096 855089560 /nfs/dbraw/zinc/08/95/60/855089560.db2.gz CAIYWLFMIUFCEY-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100066096 855089564 /nfs/dbraw/zinc/08/95/64/855089564.db2.gz CAIYWLFMIUFCEY-UONOGXRCSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100066094 855090858 /nfs/dbraw/zinc/09/08/58/855090858.db2.gz CAIYWLFMIUFCEY-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100066094 855090861 /nfs/dbraw/zinc/09/08/61/855090861.db2.gz CAIYWLFMIUFCEY-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100066094 855090866 /nfs/dbraw/zinc/09/08/66/855090866.db2.gz CAIYWLFMIUFCEY-KBPBESRZSA-N 2 1 283.416 0.456 20 30 CCEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100064701 855091057 /nfs/dbraw/zinc/09/10/57/855091057.db2.gz QCTYMBWFJILXGL-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100064701 855091065 /nfs/dbraw/zinc/09/10/65/855091065.db2.gz QCTYMBWFJILXGL-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100064701 855091069 /nfs/dbraw/zinc/09/10/69/855091069.db2.gz QCTYMBWFJILXGL-CABCVRRESA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100076766 855095052 /nfs/dbraw/zinc/09/50/52/855095052.db2.gz QWLRWLDZEAYYIM-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100084830 855098597 /nfs/dbraw/zinc/09/85/97/855098597.db2.gz BPOPRNRGZSDFPW-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100084830 855098607 /nfs/dbraw/zinc/09/86/07/855098607.db2.gz BPOPRNRGZSDFPW-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100084830 855098615 /nfs/dbraw/zinc/09/86/15/855098615.db2.gz BPOPRNRGZSDFPW-GJZGRUSLSA-N 2 1 297.443 0.846 20 30 CCEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001100185589 855113616 /nfs/dbraw/zinc/11/36/16/855113616.db2.gz HCEGDXSPQBOOOV-NRXISQOPSA-N 2 1 293.411 0.215 20 30 CCEDMP C#CCC[NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001100410896 855163032 /nfs/dbraw/zinc/16/30/32/855163032.db2.gz SAIQMAJNLHMGCQ-UHFFFAOYSA-N 2 1 277.412 0.978 20 30 CCEDMP C=CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001100678335 855208793 /nfs/dbraw/zinc/20/87/93/855208793.db2.gz HNBPQAVNQOMQAY-IYXRBSQSSA-N 2 1 265.401 0.999 20 30 CCEDMP C#CC[NH2+]C1CC(CNC(=O)C[N@H+](C)CCC)C1 ZINC001100899954 855237002 /nfs/dbraw/zinc/23/70/02/855237002.db2.gz JAHFBWOLBSFCCY-UHFFFAOYSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111860998 855600620 /nfs/dbraw/zinc/60/06/20/855600620.db2.gz NRSBBCQAWQJOQK-ZFWWWQNUSA-N 2 1 263.385 0.542 20 30 CCEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001120496903 857093278 /nfs/dbraw/zinc/09/32/78/857093278.db2.gz NBSMROYWQJROAB-ZDUSSCGKSA-N 2 1 265.401 0.836 20 30 CCEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001394622314 913318905 /nfs/dbraw/zinc/31/89/05/913318905.db2.gz ULGPBWSPIABARH-GHMZBOCLSA-N 2 1 277.796 0.146 20 30 CCEDMP C=CCC[NH+]1CC(CNC(=O)CCc2cnc[nH]2)C1 ZINC001481627930 892928975 /nfs/dbraw/zinc/92/89/75/892928975.db2.gz ALYOURKEHWAOOK-UHFFFAOYSA-N 2 1 262.357 0.966 20 30 CCEDMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001481747661 893111622 /nfs/dbraw/zinc/11/16/22/893111622.db2.gz ATBCZBCRVJLGDO-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001481747661 893111611 /nfs/dbraw/zinc/11/16/11/893111611.db2.gz ATBCZBCRVJLGDO-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001481747661 893111614 /nfs/dbraw/zinc/11/16/14/893111614.db2.gz ATBCZBCRVJLGDO-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001481747661 893111618 /nfs/dbraw/zinc/11/16/18/893111618.db2.gz ATBCZBCRVJLGDO-OAHLLOKOSA-N 2 1 295.427 0.511 20 30 CCEDMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001481816072 893179384 /nfs/dbraw/zinc/17/93/84/893179384.db2.gz JELWVEYGECRPEU-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001482055841 893335242 /nfs/dbraw/zinc/33/52/42/893335242.db2.gz JCZUBIKJAZWASM-QLFBSQMISA-N 2 1 277.412 0.931 20 30 CCEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001482123639 893410294 /nfs/dbraw/zinc/41/02/94/893410294.db2.gz SLYGVAWTFATHNQ-LBPRGKRZSA-N 2 1 262.357 0.557 20 30 CCEDMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482141734 893436262 /nfs/dbraw/zinc/43/62/62/893436262.db2.gz GBTPOHHEOWNMDA-GXTWGEPZSA-N 2 1 288.395 0.729 20 30 CCEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001482237013 893630853 /nfs/dbraw/zinc/63/08/53/893630853.db2.gz QGBVIOMNILRJJA-ZDUSSCGKSA-N 2 1 263.385 0.590 20 30 CCEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[N@H+](C)CC ZINC001482351750 893905809 /nfs/dbraw/zinc/90/58/09/893905809.db2.gz XEMAOPWHLVSYQH-CYBMUJFWSA-N 2 1 253.390 0.788 20 30 CCEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001482625154 894429743 /nfs/dbraw/zinc/42/97/43/894429743.db2.gz LEQPTJMTOYESEB-UHFFFAOYSA-N 2 1 295.427 0.368 20 30 CCEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483380368 895522047 /nfs/dbraw/zinc/52/20/47/895522047.db2.gz HZRAKNUWGXCCAT-CHWSQXEVSA-N 2 1 253.390 0.642 20 30 CCEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001484236847 896269502 /nfs/dbraw/zinc/26/95/02/896269502.db2.gz SHSMHLYGGPJGED-GOEBONIOSA-N 2 1 295.427 0.293 20 30 CCEDMP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484252886 896287846 /nfs/dbraw/zinc/28/78/46/896287846.db2.gz XXJBEDCKJSTLSF-DZGCQCFKSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001484442706 896409644 /nfs/dbraw/zinc/40/96/44/896409644.db2.gz AYEJWRNMTXKPJJ-DZGCQCFKSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001484442706 896409649 /nfs/dbraw/zinc/40/96/49/896409649.db2.gz AYEJWRNMTXKPJJ-DZGCQCFKSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001484442707 896409972 /nfs/dbraw/zinc/40/99/72/896409972.db2.gz AYEJWRNMTXKPJJ-ZFWWWQNUSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001484442707 896409979 /nfs/dbraw/zinc/40/99/79/896409979.db2.gz AYEJWRNMTXKPJJ-ZFWWWQNUSA-N 2 1 283.416 0.456 20 30 CCEDMP C=CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484450610 896411149 /nfs/dbraw/zinc/41/11/49/896411149.db2.gz UBQIPIIVQCOTKR-UKRRQHHQSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484450610 896411156 /nfs/dbraw/zinc/41/11/56/896411156.db2.gz UBQIPIIVQCOTKR-UKRRQHHQSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484450610 896411160 /nfs/dbraw/zinc/41/11/60/896411160.db2.gz UBQIPIIVQCOTKR-UKRRQHHQSA-N 2 1 281.400 0.067 20 30 CCEDMP C=CCC[NH+]1CCC[C@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001484446684 896416165 /nfs/dbraw/zinc/41/61/65/896416165.db2.gz TVUGBQMSWXZRQV-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001484446684 896416171 /nfs/dbraw/zinc/41/61/71/896416171.db2.gz TVUGBQMSWXZRQV-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001484446684 896416177 /nfs/dbraw/zinc/41/61/77/896416177.db2.gz TVUGBQMSWXZRQV-INIZCTEOSA-N 2 1 297.443 0.847 20 30 CCEDMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001484866609 896634629 /nfs/dbraw/zinc/63/46/29/896634629.db2.gz RSUVZPJYWNKANL-CQSZACIVSA-N 2 1 293.411 0.359 20 30 CCEDMP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001485216052 896856533 /nfs/dbraw/zinc/85/65/33/896856533.db2.gz NEVURDHDGJQJJR-QWHCGFSZSA-N 2 1 253.390 0.834 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001485316894 896942355 /nfs/dbraw/zinc/94/23/55/896942355.db2.gz ILCGAJJEHMEFID-YNEHKIRRSA-N 2 1 274.368 0.973 20 30 CCEDMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001485316894 896942365 /nfs/dbraw/zinc/94/23/65/896942365.db2.gz ILCGAJJEHMEFID-YNEHKIRRSA-N 2 1 274.368 0.973 20 30 CCEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001485316894 896942380 /nfs/dbraw/zinc/94/23/80/896942380.db2.gz ILCGAJJEHMEFID-YNEHKIRRSA-N 2 1 274.368 0.973 20 30 CCEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)CC[NH+](C)C)C1 ZINC001485414855 897045286 /nfs/dbraw/zinc/04/52/86/897045286.db2.gz DDWSCYSDQTWTHU-UHFFFAOYSA-N 2 1 283.416 0.457 20 30 CCEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001486277153 898735924 /nfs/dbraw/zinc/73/59/24/898735924.db2.gz DHBLVRFYJOKNBD-MGPQQGTHSA-N 2 1 283.416 0.312 20 30 CCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001486351764 898809911 /nfs/dbraw/zinc/80/99/11/898809911.db2.gz YCUMKYTYQFHCFC-HNNXBMFYSA-N 2 1 297.443 0.655 20 30 CCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001486358803 898815606 /nfs/dbraw/zinc/81/56/06/898815606.db2.gz KBSSJLHTTZIZCK-CQSZACIVSA-N 2 1 294.399 0.519 20 30 CCEDMP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001486358803 898815613 /nfs/dbraw/zinc/81/56/13/898815613.db2.gz KBSSJLHTTZIZCK-CQSZACIVSA-N 2 1 294.399 0.519 20 30 CCEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001486358803 898815622 /nfs/dbraw/zinc/81/56/22/898815622.db2.gz KBSSJLHTTZIZCK-CQSZACIVSA-N 2 1 294.399 0.519 20 30 CCEDMP C=C(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001486344653 898821316 /nfs/dbraw/zinc/82/13/16/898821316.db2.gz KMXHDKGVHKHOTD-HUUCEWRRSA-N 2 1 297.443 0.798 20 30 CCEDMP C=C(C)CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001486344653 898821324 /nfs/dbraw/zinc/82/13/24/898821324.db2.gz KMXHDKGVHKHOTD-HUUCEWRRSA-N 2 1 297.443 0.798 20 30 CCEDMP C=C(C)CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001486344653 898821335 /nfs/dbraw/zinc/82/13/35/898821335.db2.gz KMXHDKGVHKHOTD-HUUCEWRRSA-N 2 1 297.443 0.798 20 30 CCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC001486389552 898852897 /nfs/dbraw/zinc/85/28/97/898852897.db2.gz AUKDFOFMWIFGGD-KGLIPLIRSA-N 2 1 295.427 0.461 20 30 CCEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC001486389552 898852916 /nfs/dbraw/zinc/85/29/16/898852916.db2.gz AUKDFOFMWIFGGD-KGLIPLIRSA-N 2 1 295.427 0.461 20 30 CCEDMP C=CC[N@@H+](C)CCCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001327269899 914455141 /nfs/dbraw/zinc/45/51/41/914455141.db2.gz BMLZGCGSHMPVHR-UHFFFAOYSA-N 2 1 283.416 0.675 20 30 CCEDMP C=CC[N@H+](C)CCCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001327269899 914455148 /nfs/dbraw/zinc/45/51/48/914455148.db2.gz BMLZGCGSHMPVHR-UHFFFAOYSA-N 2 1 283.416 0.675 20 30 CCEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001490458663 900643958 /nfs/dbraw/zinc/64/39/58/900643958.db2.gz PXDOXBIBMPPRLW-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001490458663 900643966 /nfs/dbraw/zinc/64/39/66/900643966.db2.gz PXDOXBIBMPPRLW-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001490458663 900643975 /nfs/dbraw/zinc/64/39/75/900643975.db2.gz PXDOXBIBMPPRLW-CQSZACIVSA-N 2 1 265.401 0.931 20 30 CCEDMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001490560922 900669009 /nfs/dbraw/zinc/66/90/09/900669009.db2.gz DFKIZPHKUVFFIA-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001490560922 900669015 /nfs/dbraw/zinc/66/90/15/900669015.db2.gz DFKIZPHKUVFFIA-KBPBESRZSA-N 2 1 281.400 0.167 20 30 CCEDMP C=C(C)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317656133 900744078 /nfs/dbraw/zinc/74/40/78/900744078.db2.gz UPVSONQQRGXHQA-CYBMUJFWSA-N 2 1 253.390 0.952 20 30 CCEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001281967076 904377651 /nfs/dbraw/zinc/37/76/51/904377651.db2.gz FELJQCKPIBOPEJ-AWEZNQCLSA-N 2 1 263.385 0.638 20 30 CCEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001282493172 904490374 /nfs/dbraw/zinc/49/03/74/904490374.db2.gz BCRNAIMGMZCZAK-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001282493172 904490389 /nfs/dbraw/zinc/49/03/89/904490389.db2.gz BCRNAIMGMZCZAK-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001282493172 904490400 /nfs/dbraw/zinc/49/04/00/904490400.db2.gz BCRNAIMGMZCZAK-CHWSQXEVSA-N 2 1 251.374 0.398 20 30 CCEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001283796212 905021089 /nfs/dbraw/zinc/02/10/89/905021089.db2.gz HXLVSLSBTRHLTE-LSDHHAIUSA-N 2 1 295.427 0.198 20 30 CCEDMP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001284448740 905298682 /nfs/dbraw/zinc/29/86/82/905298682.db2.gz SENLLCFNAPOWEO-LSDHHAIUSA-N 2 1 297.443 0.703 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001491856937 907608139 /nfs/dbraw/zinc/60/81/39/907608139.db2.gz VYZSMMNLTRGWQY-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001491856937 907608146 /nfs/dbraw/zinc/60/81/46/907608146.db2.gz VYZSMMNLTRGWQY-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001491855981 907609460 /nfs/dbraw/zinc/60/94/60/907609460.db2.gz MVXHZGLMDKWCEI-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001491855981 907609466 /nfs/dbraw/zinc/60/94/66/907609466.db2.gz MVXHZGLMDKWCEI-GJZGRUSLSA-N 2 1 295.427 0.721 20 30 CCEDMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001492128230 907712481 /nfs/dbraw/zinc/71/24/81/907712481.db2.gz MOGHMSXCIADVMW-OLZOCXBDSA-N 2 1 251.374 0.446 20 30 CCEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](C)CCC[C@H](C)O ZINC001492293888 907857602 /nfs/dbraw/zinc/85/76/02/907857602.db2.gz PRYNKEMBOAZNJJ-GJZGRUSLSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC[C@H](C)O ZINC001492293888 907857617 /nfs/dbraw/zinc/85/76/17/907857617.db2.gz PRYNKEMBOAZNJJ-GJZGRUSLSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCC[C@H](C)O ZINC001492293888 907857636 /nfs/dbraw/zinc/85/76/36/907857636.db2.gz PRYNKEMBOAZNJJ-GJZGRUSLSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC[C@H](C)O ZINC001492293888 907857649 /nfs/dbraw/zinc/85/76/49/907857649.db2.gz PRYNKEMBOAZNJJ-GJZGRUSLSA-N 2 1 295.427 0.293 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC[C@H](C)O ZINC001492293888 907857659 /nfs/dbraw/zinc/85/76/59/907857659.db2.gz PRYNKEMBOAZNJJ-GJZGRUSLSA-N 2 1 295.427 0.293 20 30 CCEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001316866737 908600054 /nfs/dbraw/zinc/60/00/54/908600054.db2.gz SPPGFZJZWABBIW-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001316866737 908600063 /nfs/dbraw/zinc/60/00/63/908600063.db2.gz SPPGFZJZWABBIW-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001316866737 908600072 /nfs/dbraw/zinc/60/00/72/908600072.db2.gz SPPGFZJZWABBIW-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001316866737 908600083 /nfs/dbraw/zinc/60/00/83/908600083.db2.gz SPPGFZJZWABBIW-AWEZNQCLSA-N 2 1 283.416 0.721 20 30 CCEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC#C)C1CC1 ZINC001317014129 908919058 /nfs/dbraw/zinc/91/90/58/908919058.db2.gz BFFHVQFZFHUWRY-CVEARBPZSA-N 2 1 287.407 0.592 20 30 CCEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC#C)C1CC1 ZINC001317014129 908919061 /nfs/dbraw/zinc/91/90/61/908919061.db2.gz BFFHVQFZFHUWRY-CVEARBPZSA-N 2 1 287.407 0.592 20 30 CCEDMP C=CC[NH2+]C1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001317222222 909051286 /nfs/dbraw/zinc/05/12/86/909051286.db2.gz BJCVBTPYTVPQQC-UHFFFAOYSA-N 2 1 295.427 0.912 20 30 CCEDMP COCC#CC[NH2+][C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001317266425 909100559 /nfs/dbraw/zinc/10/05/59/909100559.db2.gz WJJUESBWQRMODU-CQSZACIVSA-N 2 1 297.443 0.708 20 30 CCEDMP C#CC[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320071851 910449521 /nfs/dbraw/zinc/44/95/21/910449521.db2.gz AEZXXRHMAIMLLA-ZDUSSCGKSA-N 2 1 253.390 0.596 20 30 CCEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@H]21 ZINC001320111289 910471191 /nfs/dbraw/zinc/47/11/91/910471191.db2.gz NUTKBHCYPPJVRW-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001320111289 910471202 /nfs/dbraw/zinc/47/12/02/910471202.db2.gz NUTKBHCYPPJVRW-HUUCEWRRSA-N 2 1 277.412 0.884 20 30 CCEDMP C=CCO[C@H]1CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC001321279841 911199985 /nfs/dbraw/zinc/19/99/85/911199985.db2.gz AFVGMESGPYPLLO-AWEZNQCLSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CCO[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001321279841 911200007 /nfs/dbraw/zinc/20/00/07/911200007.db2.gz AFVGMESGPYPLLO-AWEZNQCLSA-N 2 1 281.400 0.427 20 30 CCEDMP C=CCO[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC001321279841 911200023 /nfs/dbraw/zinc/20/00/23/911200023.db2.gz AFVGMESGPYPLLO-AWEZNQCLSA-N 2 1 281.400 0.427 20 30 CCEDMP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001321867647 911541427 /nfs/dbraw/zinc/54/14/27/911541427.db2.gz RSFANXNGYXZSEN-KBPBESRZSA-N 2 1 265.401 0.978 20 30 CCEDMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001329903007 916268479 /nfs/dbraw/zinc/26/84/79/916268479.db2.gz ZSYMJRNTIZMNRX-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001329903007 916268496 /nfs/dbraw/zinc/26/84/96/916268496.db2.gz ZSYMJRNTIZMNRX-HUUCEWRRSA-N 2 1 295.427 0.605 20 30 CCEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001329939392 916295475 /nfs/dbraw/zinc/29/54/75/916295475.db2.gz SVQNZZPDJCTAJA-AWEZNQCLSA-N 2 1 265.401 0.932 20 30 CCEDMP C#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001330230081 916495795 /nfs/dbraw/zinc/49/57/95/916495795.db2.gz LMKZEMYENFIMLM-LBPRGKRZSA-N 2 1 251.374 0.398 20 30 CCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC ZINC001331476073 917360147 /nfs/dbraw/zinc/36/01/47/917360147.db2.gz SJZBGBDYWHOHKH-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC ZINC001331476073 917360161 /nfs/dbraw/zinc/36/01/61/917360161.db2.gz SJZBGBDYWHOHKH-KGLIPLIRSA-N 2 1 265.401 0.931 20 30 CCEDMP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001331773706 917597651 /nfs/dbraw/zinc/59/76/51/917597651.db2.gz WGTMJIYTXSXHFF-QWHCGFSZSA-N 2 1 269.389 0.114 20 30 CCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001336892785 921087106 /nfs/dbraw/zinc/08/71/06/921087106.db2.gz BYONERXMPOFJMO-ZBFHGGJFSA-N 2 1 292.427 0.854 20 30 CCEDMP C#CC[NH2+]CC(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC001340111590 921964241 /nfs/dbraw/zinc/96/42/41/921964241.db2.gz FKVIBILBRJPFSJ-ZDUSSCGKSA-N 2 1 287.363 0.565 20 30 CCEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001479914379 924756618 /nfs/dbraw/zinc/75/66/18/924756618.db2.gz JAEPSQGVERAXOJ-HNNXBMFYSA-N 2 1 295.427 0.865 20 30 CCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200116618 925627864 /nfs/dbraw/zinc/62/78/64/925627864.db2.gz YXFXTRYLBASASZ-ZIAGYGMSSA-N 2 1 281.400 0.474 20 30 CCEDMP C#CC[NH+]1CCC(NC[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC001353323819 925798079 /nfs/dbraw/zinc/79/80/79/925798079.db2.gz OGBYOQDYYLTHFH-OAHLLOKOSA-N 2 1 265.401 0.129 20 30 CCEDMP